USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 604 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 7 SER OG : rot 167:sc= 1.55 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 179:sc= 0.249 (180deg=-0.324) USER MOD Set 2.1: A 55 ASN : amide:sc= 2.16 K(o=3,f=-11!) USER MOD Set 2.2: A 62 TYR OH : rot 30:sc= 0.815 USER MOD Set 3.1: A 32 CYS SG : rot 180:sc= 0.942 USER MOD Set 3.2: A 36 LYS NZ :NH3+ -167:sc= 1.17 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0743 USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= 1.14 (180deg=0.247) USER MOD Single : A 14 SER OG : rot 180:sc= -0.409 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 136:sc= 2.3 (180deg=0.543) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 19 TYR OH : rot 150:sc=-0.00606 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 45:sc= 0.0892 USER MOD Single : A 28 HIS : no HD1:sc= -1.89! C(o=-1.9!,f=-2.5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.13) USER MOD Single : A 37 GLN : amide:sc= -0.0612 X(o=-0.061,f=-0.061) USER MOD Single : A 39 MET CE :methyl -136:sc= -0.27 (180deg=-0.458) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.0305 (180deg=-0.186) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -8:sc= -2.46! USER MOD Single : A 52 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.6) USER MOD Single : A 54 THR OG1 : rot 100:sc= -0.715 USER MOD Single : A 57 GLN : amide:sc= 0.288 K(o=0.29,f=-5.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 59 LYS NZ :NH3+ 157:sc= -0.0635 (180deg=-0.478) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.079 USER MOD Single : A 66 ASN :FLIP amide:sc= -1.95! C(o=-3.6!,f=-2!) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 73 SER OG : rot 180:sc= -0.374 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.657 2.852 -1.861 1.00 0.00 N ATOM 79 CA SER A 7 -13.877 1.864 -1.235 1.00 0.00 C ATOM 80 C SER A 7 -12.642 2.496 -0.667 1.00 0.00 C ATOM 81 O SER A 7 -12.053 3.390 -1.283 1.00 0.00 O ATOM 82 CB SER A 7 -13.521 0.803 -2.238 1.00 0.00 C ATOM 83 OG SER A 7 -14.678 0.077 -2.653 1.00 0.00 O ATOM 0 HA SER A 7 -14.437 1.401 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.046 1.263 -3.105 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.794 0.117 -1.803 1.00 0.00 H new ATOM 0 HG SER A 7 -14.463 -0.455 -3.447 1.00 0.00 H new ATOM 89 N CYS A 8 -12.262 2.073 0.496 1.00 0.00 N ATOM 90 CA CYS A 8 -11.099 2.606 1.114 1.00 0.00 C ATOM 91 C CYS A 8 -10.364 1.542 1.900 1.00 0.00 C ATOM 92 O CYS A 8 -10.983 0.740 2.613 1.00 0.00 O ATOM 93 CB CYS A 8 -11.459 3.826 1.978 1.00 0.00 C ATOM 94 SG CYS A 8 -12.761 3.531 3.200 1.00 0.00 S ATOM 0 H CYS A 8 -12.746 1.356 1.036 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.417 2.949 0.336 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.562 4.163 2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.772 4.638 1.322 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.981 4.622 3.871 1.00 0.00 H new ATOM 100 N VAL A 9 -9.072 1.512 1.745 1.00 0.00 N ATOM 101 CA VAL A 9 -8.236 0.578 2.466 1.00 0.00 C ATOM 102 C VAL A 9 -7.503 1.343 3.533 1.00 0.00 C ATOM 103 O VAL A 9 -6.871 2.378 3.244 1.00 0.00 O ATOM 104 CB VAL A 9 -7.183 -0.128 1.541 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.192 -0.945 2.361 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.853 -1.042 0.538 1.00 0.00 C ATOM 0 H VAL A 9 -8.562 2.132 1.116 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.876 -0.199 2.883 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.653 0.662 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.474 -1.423 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.663 -0.289 3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.728 -1.709 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.095 -1.515 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.418 -1.810 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.529 -0.461 -0.089 1.00 0.00 H new ATOM 116 N HIS A 10 -7.638 0.880 4.748 1.00 0.00 N ATOM 117 CA HIS A 10 -6.964 1.461 5.868 1.00 0.00 C ATOM 118 C HIS A 10 -5.560 0.948 5.907 1.00 0.00 C ATOM 119 O HIS A 10 -5.336 -0.260 6.028 1.00 0.00 O ATOM 120 CB HIS A 10 -7.692 1.139 7.180 1.00 0.00 C ATOM 121 CG HIS A 10 -8.996 1.857 7.353 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.203 2.859 8.271 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.179 1.694 6.708 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.473 3.260 8.162 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.113 2.580 7.222 1.00 0.00 N ATOM 0 H HIS A 10 -8.226 0.081 4.985 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.957 2.545 5.757 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.873 0.065 7.228 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.039 1.390 8.016 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.364 0.983 5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.920 4.038 8.763 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.087 2.686 6.937 1.00 0.00 H new ATOM 133 N TYR A 11 -4.631 1.832 5.766 1.00 0.00 N ATOM 134 CA TYR A 11 -3.253 1.476 5.775 1.00 0.00 C ATOM 135 C TYR A 11 -2.524 2.435 6.682 1.00 0.00 C ATOM 136 O TYR A 11 -2.845 3.612 6.715 1.00 0.00 O ATOM 137 CB TYR A 11 -2.654 1.530 4.342 1.00 0.00 C ATOM 138 CG TYR A 11 -2.470 2.937 3.761 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.484 3.565 3.056 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.265 3.631 3.936 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.306 4.838 2.545 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.085 4.894 3.436 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.106 5.495 2.740 1.00 0.00 C ATOM 144 OH TYR A 11 -1.932 6.759 2.238 1.00 0.00 O ATOM 0 H TYR A 11 -4.808 2.829 5.640 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.143 0.454 6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.686 1.029 4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.301 0.961 3.674 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.424 3.055 2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.459 3.159 4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.103 5.317 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.150 5.412 3.588 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.034 7.080 2.463 1.00 0.00 H new ATOM 154 N LYS A 12 -1.597 1.967 7.436 1.00 0.00 N ATOM 155 CA LYS A 12 -0.822 2.882 8.219 1.00 0.00 C ATOM 156 C LYS A 12 0.621 2.662 7.880 1.00 0.00 C ATOM 157 O LYS A 12 1.036 1.527 7.646 1.00 0.00 O ATOM 158 CB LYS A 12 -1.078 2.754 9.742 1.00 0.00 C ATOM 159 CG LYS A 12 -0.306 1.661 10.456 1.00 0.00 C ATOM 160 CD LYS A 12 -0.630 1.648 11.938 1.00 0.00 C ATOM 161 CE LYS A 12 0.360 0.805 12.719 1.00 0.00 C ATOM 162 NZ LYS A 12 1.726 1.387 12.689 1.00 0.00 N ATOM 0 H LYS A 12 -1.353 0.981 7.533 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.123 3.900 7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.838 3.708 10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.143 2.581 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.549 0.693 10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.764 1.815 10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.622 2.668 12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.637 1.259 12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.026 0.716 13.753 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.385 -0.203 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.223 1.153 13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.252 0.996 11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.661 2.420 12.592 1.00 0.00 H new ATOM 176 N PHE A 13 1.369 3.715 7.796 1.00 0.00 N ATOM 177 CA PHE A 13 2.761 3.593 7.475 1.00 0.00 C ATOM 178 C PHE A 13 3.520 3.281 8.765 1.00 0.00 C ATOM 179 O PHE A 13 2.957 3.432 9.853 1.00 0.00 O ATOM 180 CB PHE A 13 3.264 4.889 6.830 1.00 0.00 C ATOM 181 CG PHE A 13 4.182 4.653 5.669 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.516 4.327 5.856 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.690 4.734 4.382 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.337 4.079 4.773 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.500 4.497 3.302 1.00 0.00 C ATOM 186 CZ PHE A 13 5.824 4.166 3.493 1.00 0.00 C ATOM 0 H PHE A 13 1.043 4.670 7.944 1.00 0.00 H new ATOM 0 HA PHE A 13 2.923 2.788 6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.409 5.476 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.784 5.483 7.581 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.917 4.266 6.857 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.652 4.988 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.374 3.819 4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.101 4.570 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.461 3.975 2.642 1.00 0.00 H new ATOM 196 N SER A 14 4.759 2.848 8.657 1.00 0.00 N ATOM 197 CA SER A 14 5.587 2.512 9.814 1.00 0.00 C ATOM 198 C SER A 14 5.700 3.708 10.776 1.00 0.00 C ATOM 199 O SER A 14 5.645 3.566 11.995 1.00 0.00 O ATOM 200 CB SER A 14 6.969 2.143 9.308 1.00 0.00 C ATOM 201 OG SER A 14 6.868 1.301 8.165 1.00 0.00 O ATOM 0 H SER A 14 5.230 2.716 7.762 1.00 0.00 H new ATOM 0 HA SER A 14 5.133 1.683 10.357 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.524 3.046 9.055 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.528 1.635 10.094 1.00 0.00 H new ATOM 0 HG SER A 14 7.766 1.072 7.847 1.00 0.00 H new ATOM 207 N SER A 15 5.781 4.885 10.217 1.00 0.00 N ATOM 208 CA SER A 15 5.928 6.074 10.998 1.00 0.00 C ATOM 209 C SER A 15 4.571 6.565 11.545 1.00 0.00 C ATOM 210 O SER A 15 4.514 7.501 12.330 1.00 0.00 O ATOM 211 CB SER A 15 6.587 7.130 10.131 1.00 0.00 C ATOM 212 OG SER A 15 7.765 6.592 9.524 1.00 0.00 O ATOM 0 H SER A 15 5.747 5.042 9.210 1.00 0.00 H new ATOM 0 HA SER A 15 6.552 5.866 11.867 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.892 7.468 9.362 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.843 8.001 10.734 1.00 0.00 H new ATOM 0 HG SER A 15 8.186 7.277 8.964 1.00 0.00 H new ATOM 218 N LYS A 16 3.493 5.897 11.167 1.00 0.00 N ATOM 219 CA LYS A 16 2.169 6.333 11.539 1.00 0.00 C ATOM 220 C LYS A 16 1.483 5.418 12.540 1.00 0.00 C ATOM 221 O LYS A 16 1.631 4.187 12.506 1.00 0.00 O ATOM 222 CB LYS A 16 1.322 6.507 10.299 1.00 0.00 C ATOM 223 CG LYS A 16 1.777 7.663 9.451 1.00 0.00 C ATOM 224 CD LYS A 16 0.948 7.794 8.214 1.00 0.00 C ATOM 225 CE LYS A 16 1.250 9.108 7.526 1.00 0.00 C ATOM 226 NZ LYS A 16 0.399 9.348 6.353 1.00 0.00 N ATOM 0 H LYS A 16 3.516 5.049 10.601 1.00 0.00 H new ATOM 0 HA LYS A 16 2.283 7.290 12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.355 5.592 9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.283 6.661 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.718 8.585 10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.823 7.525 9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.155 6.964 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.111 7.742 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.118 9.923 8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.296 9.119 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.066 10.333 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.946 9.175 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.419 8.706 6.380 1.00 0.00 H new ATOM 240 N LEU A 17 0.743 6.036 13.428 1.00 0.00 N ATOM 241 CA LEU A 17 -0.011 5.338 14.444 1.00 0.00 C ATOM 242 C LEU A 17 -1.445 5.126 13.962 1.00 0.00 C ATOM 243 O LEU A 17 -2.052 4.077 14.203 1.00 0.00 O ATOM 244 CB LEU A 17 -0.007 6.146 15.751 1.00 0.00 C ATOM 245 CG LEU A 17 -0.772 5.539 16.939 1.00 0.00 C ATOM 246 CD1 LEU A 17 -0.170 4.205 17.360 1.00 0.00 C ATOM 247 CD2 LEU A 17 -0.792 6.507 18.108 1.00 0.00 C ATOM 0 H LEU A 17 0.645 7.051 13.467 1.00 0.00 H new ATOM 0 HA LEU A 17 0.451 4.369 14.631 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.029 6.297 16.055 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.426 7.131 15.544 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.798 5.356 16.619 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.733 3.801 18.202 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.215 3.506 16.525 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.869 4.352 17.655 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.337 6.061 18.940 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.230 6.724 18.419 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.283 7.432 17.806 1.00 0.00 H new ATOM 259 N ASN A 18 -1.980 6.112 13.267 1.00 0.00 N ATOM 260 CA ASN A 18 -3.337 6.002 12.760 1.00 0.00 C ATOM 261 C ASN A 18 -3.306 5.619 11.301 1.00 0.00 C ATOM 262 O ASN A 18 -2.295 5.831 10.615 1.00 0.00 O ATOM 263 CB ASN A 18 -4.176 7.288 12.968 1.00 0.00 C ATOM 264 CG ASN A 18 -3.696 8.496 12.178 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.066 8.682 11.026 1.00 0.00 O ATOM 266 ND2 ASN A 18 -2.914 9.346 12.794 1.00 0.00 N ATOM 0 H ASN A 18 -1.505 6.986 13.042 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.831 5.222 13.339 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.210 7.079 12.693 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.173 7.540 14.028 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.598 10.188 12.314 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.621 9.166 13.754 1.00 0.00 H new ATOM 273 N TYR A 19 -4.387 5.061 10.832 1.00 0.00 N ATOM 274 CA TYR A 19 -4.474 4.582 9.475 1.00 0.00 C ATOM 275 C TYR A 19 -4.967 5.647 8.530 1.00 0.00 C ATOM 276 O TYR A 19 -5.901 6.395 8.841 1.00 0.00 O ATOM 277 CB TYR A 19 -5.397 3.360 9.375 1.00 0.00 C ATOM 278 CG TYR A 19 -4.874 2.102 10.031 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.850 1.955 11.410 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.407 1.054 9.260 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.374 0.801 11.992 1.00 0.00 C ATOM 282 CE2 TYR A 19 -3.934 -0.100 9.831 1.00 0.00 C ATOM 283 CZ TYR A 19 -3.918 -0.222 11.196 1.00 0.00 C ATOM 284 OH TYR A 19 -3.446 -1.369 11.763 1.00 0.00 O ATOM 0 H TYR A 19 -5.237 4.924 11.379 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.462 4.299 9.185 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.357 3.613 9.824 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.583 3.151 8.322 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.210 2.757 12.037 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.415 1.146 8.184 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.359 0.701 13.067 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.576 -0.907 9.209 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.612 -2.124 11.161 1.00 0.00 H new ATOM 294 N ASP A 20 -4.337 5.716 7.397 1.00 0.00 N ATOM 295 CA ASP A 20 -4.773 6.544 6.301 1.00 0.00 C ATOM 296 C ASP A 20 -5.588 5.669 5.396 1.00 0.00 C ATOM 297 O ASP A 20 -5.670 4.451 5.616 1.00 0.00 O ATOM 298 CB ASP A 20 -3.602 7.168 5.509 1.00 0.00 C ATOM 299 CG ASP A 20 -3.013 8.413 6.138 1.00 0.00 C ATOM 300 OD1 ASP A 20 -3.523 9.525 5.873 1.00 0.00 O ATOM 301 OD2 ASP A 20 -2.012 8.320 6.873 1.00 0.00 O ATOM 0 H ASP A 20 -3.486 5.189 7.199 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.347 7.382 6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.814 6.423 5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.948 7.412 4.505 1.00 0.00 H new ATOM 306 N THR A 21 -6.170 6.231 4.396 1.00 0.00 N ATOM 307 CA THR A 21 -7.035 5.476 3.546 1.00 0.00 C ATOM 308 C THR A 21 -6.857 5.790 2.072 1.00 0.00 C ATOM 309 O THR A 21 -6.761 6.955 1.675 1.00 0.00 O ATOM 310 CB THR A 21 -8.505 5.701 3.958 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.660 7.027 4.533 1.00 0.00 O ATOM 312 CG2 THR A 21 -8.980 4.650 4.941 1.00 0.00 C ATOM 0 H THR A 21 -6.066 7.213 4.142 1.00 0.00 H new ATOM 0 HA THR A 21 -6.762 4.429 3.676 1.00 0.00 H new ATOM 0 HB THR A 21 -9.119 5.617 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.595 7.164 4.791 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.019 4.843 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.899 3.663 4.486 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.363 4.687 5.839 1.00 0.00 H new ATOM 320 N VAL A 22 -6.782 4.756 1.272 1.00 0.00 N ATOM 321 CA VAL A 22 -6.799 4.917 -0.163 1.00 0.00 C ATOM 322 C VAL A 22 -8.204 4.744 -0.643 1.00 0.00 C ATOM 323 O VAL A 22 -8.809 3.687 -0.455 1.00 0.00 O ATOM 324 CB VAL A 22 -5.848 3.954 -0.957 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.423 4.452 -0.943 1.00 0.00 C ATOM 326 CG2 VAL A 22 -5.899 2.531 -0.412 1.00 0.00 C ATOM 0 H VAL A 22 -6.708 3.790 1.590 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.416 5.918 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.207 3.942 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.791 3.762 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.378 5.439 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.070 4.515 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.227 1.896 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.591 2.531 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.916 2.148 -0.490 1.00 0.00 H new ATOM 336 N THR A 23 -8.741 5.793 -1.163 1.00 0.00 N ATOM 337 CA THR A 23 -10.044 5.809 -1.701 1.00 0.00 C ATOM 338 C THR A 23 -9.979 5.455 -3.165 1.00 0.00 C ATOM 339 O THR A 23 -9.379 6.173 -3.977 1.00 0.00 O ATOM 340 CB THR A 23 -10.654 7.192 -1.493 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.618 8.186 -1.673 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.255 7.321 -0.104 1.00 0.00 C ATOM 0 H THR A 23 -8.262 6.692 -1.224 1.00 0.00 H new ATOM 0 HA THR A 23 -10.674 5.076 -1.198 1.00 0.00 H new ATOM 0 HB THR A 23 -11.453 7.341 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.088 7.966 -2.467 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.682 8.316 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.037 6.572 0.025 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.478 7.167 0.644 1.00 0.00 H new ATOM 350 N PHE A 24 -10.543 4.350 -3.490 1.00 0.00 N ATOM 351 CA PHE A 24 -10.519 3.838 -4.820 1.00 0.00 C ATOM 352 C PHE A 24 -11.926 3.347 -5.140 1.00 0.00 C ATOM 353 O PHE A 24 -12.747 3.217 -4.224 1.00 0.00 O ATOM 354 CB PHE A 24 -9.431 2.727 -4.930 1.00 0.00 C ATOM 355 CG PHE A 24 -9.677 1.497 -4.088 1.00 0.00 C ATOM 356 CD1 PHE A 24 -9.649 1.563 -2.705 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.952 0.285 -4.680 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.888 0.455 -1.944 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.190 -0.830 -3.912 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.162 -0.739 -2.545 1.00 0.00 C ATOM 0 H PHE A 24 -11.047 3.760 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.247 4.597 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.350 2.423 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.469 3.154 -4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.435 2.505 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.981 0.209 -5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.860 0.524 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.399 -1.778 -4.386 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.357 -1.614 -1.942 1.00 0.00 H new ATOM 370 N ASP A 25 -12.233 3.101 -6.389 1.00 0.00 N ATOM 371 CA ASP A 25 -13.585 2.739 -6.754 1.00 0.00 C ATOM 372 C ASP A 25 -13.729 1.268 -7.065 1.00 0.00 C ATOM 373 O ASP A 25 -14.807 0.793 -7.459 1.00 0.00 O ATOM 374 CB ASP A 25 -14.105 3.607 -7.888 1.00 0.00 C ATOM 375 CG ASP A 25 -13.312 3.508 -9.168 1.00 0.00 C ATOM 376 OD1 ASP A 25 -12.337 4.279 -9.343 1.00 0.00 O ATOM 377 OD2 ASP A 25 -13.671 2.716 -10.041 1.00 0.00 O ATOM 0 H ASP A 25 -11.574 3.143 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.207 2.930 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.139 3.331 -8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -14.111 4.646 -7.559 1.00 0.00 H new ATOM 382 N GLY A 26 -12.677 0.564 -6.841 1.00 0.00 N ATOM 383 CA GLY A 26 -12.664 -0.857 -7.030 1.00 0.00 C ATOM 384 C GLY A 26 -13.079 -1.565 -5.762 1.00 0.00 C ATOM 385 O GLY A 26 -13.407 -0.923 -4.774 1.00 0.00 O ATOM 0 H GLY A 26 -11.791 0.953 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.339 -1.128 -7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.666 -1.181 -7.324 1.00 0.00 H new ATOM 389 N LEU A 27 -13.083 -2.859 -5.782 1.00 0.00 N ATOM 390 CA LEU A 27 -13.378 -3.641 -4.598 1.00 0.00 C ATOM 391 C LEU A 27 -12.036 -3.876 -3.897 1.00 0.00 C ATOM 392 O LEU A 27 -11.907 -3.793 -2.657 1.00 0.00 O ATOM 393 CB LEU A 27 -14.041 -4.984 -5.028 1.00 0.00 C ATOM 394 CG LEU A 27 -14.742 -5.860 -3.949 1.00 0.00 C ATOM 395 CD1 LEU A 27 -13.786 -6.387 -2.893 1.00 0.00 C ATOM 396 CD2 LEU A 27 -15.897 -5.113 -3.306 1.00 0.00 C ATOM 0 H LEU A 27 -12.883 -3.415 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.071 -3.137 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.779 -4.755 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.271 -5.595 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.135 -6.731 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.337 -6.990 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.021 -7.001 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.313 -5.550 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.369 -5.748 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.524 -4.206 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.629 -4.848 -4.069 1.00 0.00 H new ATOM 408 N HIS A 28 -11.047 -4.127 -4.709 1.00 0.00 N ATOM 409 CA HIS A 28 -9.694 -4.364 -4.277 1.00 0.00 C ATOM 410 C HIS A 28 -8.718 -3.744 -5.213 1.00 0.00 C ATOM 411 O HIS A 28 -9.010 -3.550 -6.392 1.00 0.00 O ATOM 412 CB HIS A 28 -9.372 -5.855 -4.061 1.00 0.00 C ATOM 413 CG HIS A 28 -10.081 -6.825 -4.945 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.744 -7.911 -4.449 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.229 -6.871 -6.290 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.278 -8.573 -5.471 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.996 -7.983 -6.621 1.00 0.00 N ATOM 0 H HIS A 28 -11.162 -4.174 -5.721 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.602 -3.886 -3.302 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.299 -5.995 -4.193 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.601 -6.107 -3.026 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.818 -6.160 -6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.865 -9.474 -5.375 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.281 -8.281 -7.554 1.00 0.00 H new ATOM 425 N ILE A 29 -7.585 -3.422 -4.696 1.00 0.00 N ATOM 426 CA ILE A 29 -6.565 -2.809 -5.460 1.00 0.00 C ATOM 427 C ILE A 29 -5.282 -3.625 -5.398 1.00 0.00 C ATOM 428 O ILE A 29 -4.855 -4.051 -4.326 1.00 0.00 O ATOM 429 CB ILE A 29 -6.348 -1.320 -5.036 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.177 -0.710 -5.790 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.156 -1.187 -3.523 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.127 0.803 -5.740 1.00 0.00 C ATOM 0 H ILE A 29 -7.341 -3.580 -3.718 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.884 -2.788 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.249 -0.767 -5.299 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.249 -1.107 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.226 -1.027 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.008 -0.138 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.040 -1.565 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.283 -1.763 -3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.263 1.157 -6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.037 1.212 -6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.045 1.130 -4.704 1.00 0.00 H new ATOM 444 N SER A 30 -4.731 -3.902 -6.554 1.00 0.00 N ATOM 445 CA SER A 30 -3.499 -4.635 -6.674 1.00 0.00 C ATOM 446 C SER A 30 -2.353 -3.856 -6.020 1.00 0.00 C ATOM 447 O SER A 30 -2.325 -2.629 -6.064 1.00 0.00 O ATOM 448 CB SER A 30 -3.217 -4.878 -8.145 1.00 0.00 C ATOM 449 OG SER A 30 -4.353 -5.456 -8.775 1.00 0.00 O ATOM 0 H SER A 30 -5.132 -3.620 -7.448 1.00 0.00 H new ATOM 0 HA SER A 30 -3.585 -5.593 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.960 -3.938 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.357 -5.539 -8.253 1.00 0.00 H new ATOM 0 HG SER A 30 -4.160 -5.607 -9.724 1.00 0.00 H new ATOM 455 N LEU A 31 -1.437 -4.575 -5.426 1.00 0.00 N ATOM 456 CA LEU A 31 -0.323 -4.031 -4.685 1.00 0.00 C ATOM 457 C LEU A 31 0.506 -3.054 -5.495 1.00 0.00 C ATOM 458 O LEU A 31 0.850 -2.010 -4.995 1.00 0.00 O ATOM 459 CB LEU A 31 0.548 -5.152 -4.138 1.00 0.00 C ATOM 460 CG LEU A 31 1.740 -4.731 -3.283 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.296 -3.979 -2.043 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.551 -5.935 -2.904 1.00 0.00 C ATOM 0 H LEU A 31 -1.444 -5.595 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.743 -3.464 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.081 -5.814 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.921 -5.736 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 31 2.358 -4.056 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.170 -3.694 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.749 -3.083 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.649 -4.618 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.399 -5.625 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.930 -6.628 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.914 -6.428 -3.806 1.00 0.00 H new ATOM 474 N CYS A 32 0.814 -3.384 -6.745 1.00 0.00 N ATOM 475 CA CYS A 32 1.581 -2.470 -7.597 1.00 0.00 C ATOM 476 C CYS A 32 0.861 -1.133 -7.696 1.00 0.00 C ATOM 477 O CYS A 32 1.450 -0.076 -7.479 1.00 0.00 O ATOM 478 CB CYS A 32 1.768 -3.046 -9.004 1.00 0.00 C ATOM 479 SG CYS A 32 2.791 -2.026 -10.092 1.00 0.00 S ATOM 0 H CYS A 32 0.551 -4.263 -7.190 1.00 0.00 H new ATOM 0 HA CYS A 32 2.563 -2.334 -7.145 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.218 -4.035 -8.923 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.788 -3.178 -9.464 1.00 0.00 H new ATOM 0 HG CYS A 32 2.891 -2.598 -11.255 1.00 0.00 H new ATOM 485 N ASP A 33 -0.426 -1.211 -7.918 1.00 0.00 N ATOM 486 CA ASP A 33 -1.284 -0.054 -8.073 1.00 0.00 C ATOM 487 C ASP A 33 -1.368 0.707 -6.776 1.00 0.00 C ATOM 488 O ASP A 33 -1.228 1.926 -6.751 1.00 0.00 O ATOM 489 CB ASP A 33 -2.674 -0.505 -8.534 1.00 0.00 C ATOM 490 CG ASP A 33 -2.648 -1.106 -9.907 1.00 0.00 C ATOM 491 OD1 ASP A 33 -2.455 -2.329 -10.030 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.803 -0.360 -10.904 1.00 0.00 O ATOM 0 H ASP A 33 -0.922 -2.099 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.865 0.611 -8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.070 -1.234 -7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.352 0.348 -8.526 1.00 0.00 H new ATOM 497 N LEU A 34 -1.528 -0.030 -5.703 1.00 0.00 N ATOM 498 CA LEU A 34 -1.630 0.519 -4.365 1.00 0.00 C ATOM 499 C LEU A 34 -0.341 1.226 -3.964 1.00 0.00 C ATOM 500 O LEU A 34 -0.375 2.337 -3.428 1.00 0.00 O ATOM 501 CB LEU A 34 -2.053 -0.594 -3.364 1.00 0.00 C ATOM 502 CG LEU A 34 -2.055 -0.260 -1.859 1.00 0.00 C ATOM 503 CD1 LEU A 34 -3.058 -1.140 -1.138 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.676 -0.522 -1.264 1.00 0.00 C ATOM 0 H LEU A 34 -1.593 -1.048 -5.732 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.409 1.281 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.058 -0.920 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.390 -1.446 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.320 0.790 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.055 -0.899 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.054 -0.967 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.787 -2.187 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.687 -0.283 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.416 -1.572 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.062 0.102 -1.768 1.00 0.00 H new ATOM 516 N LYS A 35 0.792 0.602 -4.259 1.00 0.00 N ATOM 517 CA LYS A 35 2.075 1.182 -3.944 1.00 0.00 C ATOM 518 C LYS A 35 2.267 2.475 -4.707 1.00 0.00 C ATOM 519 O LYS A 35 2.723 3.455 -4.151 1.00 0.00 O ATOM 520 CB LYS A 35 3.235 0.220 -4.222 1.00 0.00 C ATOM 521 CG LYS A 35 3.225 -1.044 -3.369 1.00 0.00 C ATOM 522 CD LYS A 35 4.459 -1.922 -3.605 1.00 0.00 C ATOM 523 CE LYS A 35 4.601 -2.445 -5.020 1.00 0.00 C ATOM 524 NZ LYS A 35 5.849 -3.235 -5.169 1.00 0.00 N ATOM 0 H LYS A 35 0.840 -0.308 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 35 2.081 1.390 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.209 -0.066 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.175 0.747 -4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.176 -0.767 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.326 -1.620 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.351 -1.348 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.422 -2.770 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.741 -3.066 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.608 -1.611 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.160 -3.210 -6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.591 -2.829 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.672 -4.220 -4.887 1.00 0.00 H new ATOM 538 N LYS A 36 1.868 2.480 -5.972 1.00 0.00 N ATOM 539 CA LYS A 36 1.959 3.678 -6.807 1.00 0.00 C ATOM 540 C LYS A 36 1.113 4.820 -6.246 1.00 0.00 C ATOM 541 O LYS A 36 1.520 5.991 -6.307 1.00 0.00 O ATOM 542 CB LYS A 36 1.547 3.390 -8.253 1.00 0.00 C ATOM 543 CG LYS A 36 2.674 3.005 -9.218 1.00 0.00 C ATOM 544 CD LYS A 36 3.451 1.760 -8.816 1.00 0.00 C ATOM 545 CE LYS A 36 4.432 1.384 -9.917 1.00 0.00 C ATOM 546 NZ LYS A 36 5.179 0.143 -9.630 1.00 0.00 N ATOM 0 H LYS A 36 1.476 1.667 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 36 3.005 3.985 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.813 2.584 -8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.046 4.274 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.249 2.848 -10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.368 3.841 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.988 1.941 -7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.763 0.935 -8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.888 1.265 -10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.139 2.201 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.975 0.056 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.542 0.174 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.547 -0.676 -9.738 1.00 0.00 H new ATOM 560 N GLN A 37 -0.049 4.487 -5.701 1.00 0.00 N ATOM 561 CA GLN A 37 -0.920 5.488 -5.099 1.00 0.00 C ATOM 562 C GLN A 37 -0.251 6.079 -3.866 1.00 0.00 C ATOM 563 O GLN A 37 -0.117 7.292 -3.738 1.00 0.00 O ATOM 564 CB GLN A 37 -2.274 4.882 -4.696 1.00 0.00 C ATOM 565 CG GLN A 37 -3.072 4.267 -5.838 1.00 0.00 C ATOM 566 CD GLN A 37 -3.364 5.243 -6.952 1.00 0.00 C ATOM 567 OE1 GLN A 37 -2.595 5.367 -7.916 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.454 5.949 -6.834 1.00 0.00 N ATOM 0 H GLN A 37 -0.410 3.534 -5.663 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.096 6.267 -5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.101 4.116 -3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.878 5.660 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.520 3.418 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.013 3.879 -5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.062 5.818 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.699 6.632 -7.550 1.00 0.00 H new ATOM 577 N ILE A 38 0.221 5.207 -2.993 1.00 0.00 N ATOM 578 CA ILE A 38 0.842 5.623 -1.745 1.00 0.00 C ATOM 579 C ILE A 38 2.157 6.370 -1.990 1.00 0.00 C ATOM 580 O ILE A 38 2.400 7.420 -1.396 1.00 0.00 O ATOM 581 CB ILE A 38 1.067 4.416 -0.796 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.282 3.771 -0.446 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.808 4.842 0.475 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.170 2.549 0.436 1.00 0.00 C ATOM 0 H ILE A 38 0.186 4.196 -3.126 1.00 0.00 H new ATOM 0 HA ILE A 38 0.152 6.313 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 38 1.689 3.683 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.908 4.511 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.791 3.494 -1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.951 3.975 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.779 5.260 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.222 5.595 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.165 2.153 0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.427 1.790 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.309 2.822 1.376 1.00 0.00 H new ATOM 596 N MET A 39 2.973 5.864 -2.898 1.00 0.00 N ATOM 597 CA MET A 39 4.265 6.484 -3.185 1.00 0.00 C ATOM 598 C MET A 39 4.091 7.853 -3.805 1.00 0.00 C ATOM 599 O MET A 39 4.865 8.761 -3.530 1.00 0.00 O ATOM 600 CB MET A 39 5.180 5.596 -4.048 1.00 0.00 C ATOM 601 CG MET A 39 5.608 4.301 -3.366 1.00 0.00 C ATOM 602 SD MET A 39 6.786 3.334 -4.333 1.00 0.00 S ATOM 603 CE MET A 39 5.829 2.989 -5.802 1.00 0.00 C ATOM 0 H MET A 39 2.770 5.030 -3.449 1.00 0.00 H new ATOM 0 HA MET A 39 4.767 6.603 -2.225 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.663 5.352 -4.976 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.070 6.164 -4.319 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.052 4.538 -2.399 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.725 3.693 -3.171 1.00 0.00 H new ATOM 0 HE1 MET A 39 5.959 1.944 -6.084 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.775 3.183 -5.603 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.168 3.629 -6.616 1.00 0.00 H new ATOM 613 N GLY A 40 3.064 8.009 -4.611 1.00 0.00 N ATOM 614 CA GLY A 40 2.782 9.300 -5.195 1.00 0.00 C ATOM 615 C GLY A 40 2.213 10.262 -4.169 1.00 0.00 C ATOM 616 O GLY A 40 2.585 11.443 -4.125 1.00 0.00 O ATOM 0 H GLY A 40 2.417 7.266 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.696 9.717 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.075 9.182 -6.016 1.00 0.00 H new ATOM 620 N ARG A 41 1.348 9.738 -3.319 1.00 0.00 N ATOM 621 CA ARG A 41 0.662 10.514 -2.291 1.00 0.00 C ATOM 622 C ARG A 41 1.619 11.018 -1.217 1.00 0.00 C ATOM 623 O ARG A 41 1.599 12.196 -0.861 1.00 0.00 O ATOM 624 CB ARG A 41 -0.426 9.668 -1.619 1.00 0.00 C ATOM 625 CG ARG A 41 -1.124 10.392 -0.477 1.00 0.00 C ATOM 626 CD ARG A 41 -2.051 9.488 0.305 1.00 0.00 C ATOM 627 NE ARG A 41 -3.150 8.939 -0.497 1.00 0.00 N ATOM 628 CZ ARG A 41 -4.299 8.480 0.014 1.00 0.00 C ATOM 629 NH1 ARG A 41 -4.515 8.507 1.320 1.00 0.00 N ATOM 630 NH2 ARG A 41 -5.228 7.989 -0.785 1.00 0.00 N ATOM 0 H ARG A 41 1.096 8.750 -3.320 1.00 0.00 H new ATOM 0 HA ARG A 41 0.218 11.374 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.166 9.380 -2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.019 8.748 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.375 10.808 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.693 11.231 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.473 8.665 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.468 10.046 1.143 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.031 8.905 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.802 8.880 1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.394 8.155 1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.071 7.959 -1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.103 7.639 -0.395 1.00 0.00 H new ATOM 644 N GLU A 42 2.452 10.127 -0.719 1.00 0.00 N ATOM 645 CA GLU A 42 3.341 10.433 0.404 1.00 0.00 C ATOM 646 C GLU A 42 4.678 10.937 -0.077 1.00 0.00 C ATOM 647 O GLU A 42 5.566 11.229 0.733 1.00 0.00 O ATOM 648 CB GLU A 42 3.535 9.198 1.273 1.00 0.00 C ATOM 649 CG GLU A 42 2.256 8.635 1.884 1.00 0.00 C ATOM 650 CD GLU A 42 1.725 9.489 3.008 1.00 0.00 C ATOM 651 OE1 GLU A 42 1.259 10.614 2.759 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.801 9.054 4.176 1.00 0.00 O ATOM 0 H GLU A 42 2.538 9.174 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 42 2.873 11.220 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.007 8.420 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.228 9.443 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.495 8.548 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.448 7.629 2.257 1.00 0.00 H new ATOM 659 N LYS A 43 4.799 11.055 -1.385 1.00 0.00 N ATOM 660 CA LYS A 43 5.992 11.539 -2.060 1.00 0.00 C ATOM 661 C LYS A 43 7.197 10.669 -1.742 1.00 0.00 C ATOM 662 O LYS A 43 8.130 11.085 -1.044 1.00 0.00 O ATOM 663 CB LYS A 43 6.303 13.032 -1.779 1.00 0.00 C ATOM 664 CG LYS A 43 5.162 13.995 -2.050 1.00 0.00 C ATOM 665 CD LYS A 43 4.220 14.098 -0.873 1.00 0.00 C ATOM 666 CE LYS A 43 3.059 15.009 -1.166 1.00 0.00 C ATOM 667 NZ LYS A 43 3.481 16.388 -1.452 1.00 0.00 N ATOM 0 H LYS A 43 4.047 10.809 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 43 5.777 11.467 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.602 13.134 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.158 13.328 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.566 14.981 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.609 13.665 -2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.848 13.106 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.763 14.469 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.502 14.619 -2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.379 15.010 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.648 17.011 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.143 16.708 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.951 16.422 -2.379 1.00 0.00 H new ATOM 681 N LEU A 44 7.134 9.442 -2.186 1.00 0.00 N ATOM 682 CA LEU A 44 8.227 8.526 -1.992 1.00 0.00 C ATOM 683 C LEU A 44 9.138 8.501 -3.194 1.00 0.00 C ATOM 684 O LEU A 44 8.845 9.112 -4.230 1.00 0.00 O ATOM 685 CB LEU A 44 7.774 7.089 -1.660 1.00 0.00 C ATOM 686 CG LEU A 44 7.505 6.768 -0.183 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.331 7.536 0.353 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.300 5.283 0.012 1.00 0.00 C ATOM 0 H LEU A 44 6.335 9.052 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 44 8.770 8.903 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.864 6.882 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.537 6.401 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 44 8.384 7.078 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.176 7.279 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.525 8.605 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.438 7.282 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.111 5.077 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.447 4.952 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.194 4.747 -0.308 1.00 0.00 H new ATOM 700 N LYS A 45 10.225 7.797 -3.051 1.00 0.00 N ATOM 701 CA LYS A 45 11.201 7.619 -4.096 1.00 0.00 C ATOM 702 C LYS A 45 11.087 6.186 -4.664 1.00 0.00 C ATOM 703 O LYS A 45 11.575 5.210 -4.071 1.00 0.00 O ATOM 704 CB LYS A 45 12.606 7.915 -3.528 1.00 0.00 C ATOM 705 CG LYS A 45 12.870 7.197 -2.207 1.00 0.00 C ATOM 706 CD LYS A 45 14.215 7.505 -1.591 1.00 0.00 C ATOM 707 CE LYS A 45 14.355 8.942 -1.142 1.00 0.00 C ATOM 708 NZ LYS A 45 15.656 9.157 -0.485 1.00 0.00 N ATOM 0 H LYS A 45 10.466 7.318 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 45 11.021 8.312 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.359 7.615 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.715 8.990 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.088 7.467 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.795 6.122 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.374 6.848 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.998 7.280 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.261 9.607 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.548 9.194 -0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.733 10.149 -0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.732 8.536 0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.423 8.937 -1.153 1.00 0.00 H new ATOM 722 N ALA A 46 10.448 6.073 -5.804 1.00 0.00 N ATOM 723 CA ALA A 46 10.150 4.779 -6.416 1.00 0.00 C ATOM 724 C ALA A 46 11.360 4.182 -7.133 1.00 0.00 C ATOM 725 O ALA A 46 11.361 3.002 -7.505 1.00 0.00 O ATOM 726 CB ALA A 46 8.974 4.912 -7.375 1.00 0.00 C ATOM 0 H ALA A 46 10.115 6.872 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 46 9.886 4.092 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.760 3.943 -7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.097 5.260 -6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.222 5.629 -8.158 1.00 0.00 H new ATOM 732 N ALA A 47 12.377 4.988 -7.340 1.00 0.00 N ATOM 733 CA ALA A 47 13.587 4.536 -8.012 1.00 0.00 C ATOM 734 C ALA A 47 14.679 4.210 -7.014 1.00 0.00 C ATOM 735 O ALA A 47 15.799 3.877 -7.389 1.00 0.00 O ATOM 736 CB ALA A 47 14.067 5.586 -9.000 1.00 0.00 C ATOM 0 H ALA A 47 12.395 5.967 -7.053 1.00 0.00 H new ATOM 0 HA ALA A 47 13.348 3.623 -8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.972 5.234 -9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.292 5.765 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.281 6.514 -8.470 1.00 0.00 H new ATOM 742 N ASP A 48 14.349 4.287 -5.753 1.00 0.00 N ATOM 743 CA ASP A 48 15.329 4.031 -4.701 1.00 0.00 C ATOM 744 C ASP A 48 14.808 2.945 -3.778 1.00 0.00 C ATOM 745 O ASP A 48 15.539 2.035 -3.380 1.00 0.00 O ATOM 746 CB ASP A 48 15.588 5.316 -3.910 1.00 0.00 C ATOM 747 CG ASP A 48 16.743 5.237 -2.908 1.00 0.00 C ATOM 748 OD1 ASP A 48 16.619 4.577 -1.858 1.00 0.00 O ATOM 749 OD2 ASP A 48 17.773 5.915 -3.123 1.00 0.00 O ATOM 0 H ASP A 48 13.415 4.523 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 48 16.266 3.700 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.792 6.123 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.678 5.584 -3.373 1.00 0.00 H new ATOM 754 N CYS A 49 13.532 3.003 -3.479 1.00 0.00 N ATOM 755 CA CYS A 49 12.951 2.048 -2.588 1.00 0.00 C ATOM 756 C CYS A 49 11.641 1.516 -3.141 1.00 0.00 C ATOM 757 O CYS A 49 11.058 2.092 -4.076 1.00 0.00 O ATOM 758 CB CYS A 49 12.743 2.675 -1.212 1.00 0.00 C ATOM 759 SG CYS A 49 11.728 4.172 -1.233 1.00 0.00 S ATOM 0 H CYS A 49 12.884 3.702 -3.842 1.00 0.00 H new ATOM 0 HA CYS A 49 13.636 1.206 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.276 1.941 -0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.716 2.914 -0.782 1.00 0.00 H new ATOM 0 HG CYS A 49 11.497 4.522 -2.463 1.00 0.00 H new ATOM 765 N ASP A 50 11.204 0.429 -2.573 1.00 0.00 N ATOM 766 CA ASP A 50 9.982 -0.230 -2.938 1.00 0.00 C ATOM 767 C ASP A 50 9.095 -0.147 -1.727 1.00 0.00 C ATOM 768 O ASP A 50 9.558 0.221 -0.626 1.00 0.00 O ATOM 769 CB ASP A 50 10.210 -1.708 -3.281 1.00 0.00 C ATOM 770 CG ASP A 50 9.153 -2.275 -4.238 1.00 0.00 C ATOM 771 OD1 ASP A 50 7.944 -2.214 -3.939 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.524 -2.778 -5.334 1.00 0.00 O ATOM 0 H ASP A 50 11.705 -0.039 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 50 9.550 0.243 -3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.197 -1.822 -3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.209 -2.292 -2.361 1.00 0.00 H new ATOM 777 N LEU A 51 7.887 -0.499 -1.872 1.00 0.00 N ATOM 778 CA LEU A 51 6.973 -0.350 -0.820 1.00 0.00 C ATOM 779 C LEU A 51 6.491 -1.734 -0.368 1.00 0.00 C ATOM 780 O LEU A 51 6.014 -2.531 -1.158 1.00 0.00 O ATOM 781 CB LEU A 51 5.845 0.577 -1.286 1.00 0.00 C ATOM 782 CG LEU A 51 4.950 1.146 -0.218 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.770 1.931 0.782 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.910 2.042 -0.834 1.00 0.00 C ATOM 0 H LEU A 51 7.500 -0.901 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 51 7.431 0.114 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.292 1.407 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.224 0.027 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 51 4.452 0.323 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.114 2.339 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.506 1.274 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.282 2.747 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.269 2.447 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.401 2.860 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.306 1.468 -1.537 1.00 0.00 H new ATOM 796 N GLN A 52 6.660 -2.021 0.878 1.00 0.00 N ATOM 797 CA GLN A 52 6.309 -3.313 1.420 1.00 0.00 C ATOM 798 C GLN A 52 5.011 -3.201 2.188 1.00 0.00 C ATOM 799 O GLN A 52 4.899 -2.398 3.097 1.00 0.00 O ATOM 800 CB GLN A 52 7.393 -3.784 2.372 1.00 0.00 C ATOM 801 CG GLN A 52 7.282 -5.242 2.733 1.00 0.00 C ATOM 802 CD GLN A 52 7.594 -6.129 1.559 1.00 0.00 C ATOM 803 OE1 GLN A 52 6.725 -6.469 0.775 1.00 0.00 O ATOM 804 NE2 GLN A 52 8.828 -6.517 1.445 1.00 0.00 N ATOM 0 H GLN A 52 7.047 -1.371 1.562 1.00 0.00 H new ATOM 0 HA GLN A 52 6.202 -4.023 0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.368 -3.603 1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.350 -3.188 3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.965 -5.468 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.274 -5.453 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.524 -6.209 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.101 -7.130 0.677 1.00 0.00 H new ATOM 813 N ILE A 53 4.043 -3.981 1.838 1.00 0.00 N ATOM 814 CA ILE A 53 2.779 -3.926 2.516 1.00 0.00 C ATOM 815 C ILE A 53 2.496 -5.252 3.214 1.00 0.00 C ATOM 816 O ILE A 53 2.639 -6.320 2.629 1.00 0.00 O ATOM 817 CB ILE A 53 1.589 -3.482 1.566 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.637 -1.975 1.230 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.231 -3.797 2.162 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.768 -1.503 0.348 1.00 0.00 C ATOM 0 H ILE A 53 4.097 -4.667 1.086 1.00 0.00 H new ATOM 0 HA ILE A 53 2.847 -3.148 3.276 1.00 0.00 H new ATOM 0 HB ILE A 53 1.724 -4.058 0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.697 -1.706 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.685 -1.421 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.551 -3.475 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.147 -4.871 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.120 -3.272 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.683 -0.428 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.721 -1.725 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.718 -2.015 -0.613 1.00 0.00 H new ATOM 832 N THR A 54 2.190 -5.177 4.467 1.00 0.00 N ATOM 833 CA THR A 54 1.845 -6.334 5.246 1.00 0.00 C ATOM 834 C THR A 54 0.402 -6.191 5.691 1.00 0.00 C ATOM 835 O THR A 54 -0.063 -5.091 5.888 1.00 0.00 O ATOM 836 CB THR A 54 2.749 -6.405 6.483 1.00 0.00 C ATOM 837 OG1 THR A 54 4.108 -6.266 6.059 1.00 0.00 O ATOM 838 CG2 THR A 54 2.574 -7.733 7.225 1.00 0.00 C ATOM 0 H THR A 54 2.170 -4.302 4.991 1.00 0.00 H new ATOM 0 HA THR A 54 1.974 -7.240 4.654 1.00 0.00 H new ATOM 0 HB THR A 54 2.476 -5.603 7.168 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.405 -5.344 6.210 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.228 -7.752 8.097 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.538 -7.836 7.547 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.831 -8.558 6.560 1.00 0.00 H new ATOM 846 N ASN A 55 -0.307 -7.266 5.805 1.00 0.00 N ATOM 847 CA ASN A 55 -1.669 -7.198 6.282 1.00 0.00 C ATOM 848 C ASN A 55 -1.652 -7.013 7.790 1.00 0.00 C ATOM 849 O ASN A 55 -0.873 -7.653 8.471 1.00 0.00 O ATOM 850 CB ASN A 55 -2.403 -8.466 5.939 1.00 0.00 C ATOM 851 CG ASN A 55 -3.881 -8.329 6.068 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.420 -8.413 7.143 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.543 -8.212 4.993 1.00 0.00 N ATOM 0 H ASN A 55 0.023 -8.204 5.578 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.178 -6.359 5.808 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.157 -8.758 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.058 -9.268 6.592 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.562 -8.187 5.022 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.056 -8.143 4.099 1.00 0.00 H new ATOM 860 N ALA A 56 -2.509 -6.158 8.313 1.00 0.00 N ATOM 861 CA ALA A 56 -2.530 -5.883 9.754 1.00 0.00 C ATOM 862 C ALA A 56 -3.254 -6.984 10.507 1.00 0.00 C ATOM 863 O ALA A 56 -3.055 -7.187 11.708 1.00 0.00 O ATOM 864 CB ALA A 56 -3.207 -4.550 10.027 1.00 0.00 C ATOM 0 H ALA A 56 -3.201 -5.639 7.772 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.498 -5.842 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.215 -4.359 11.100 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.661 -3.754 9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.231 -4.579 9.656 1.00 0.00 H new ATOM 870 N GLN A 57 -4.070 -7.694 9.789 1.00 0.00 N ATOM 871 CA GLN A 57 -4.911 -8.720 10.348 1.00 0.00 C ATOM 872 C GLN A 57 -4.290 -10.101 10.152 1.00 0.00 C ATOM 873 O GLN A 57 -4.053 -10.825 11.110 1.00 0.00 O ATOM 874 CB GLN A 57 -6.234 -8.689 9.628 1.00 0.00 C ATOM 875 CG GLN A 57 -6.933 -7.339 9.640 1.00 0.00 C ATOM 876 CD GLN A 57 -8.065 -7.262 8.632 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.366 -6.187 8.100 1.00 0.00 O ATOM 878 NE2 GLN A 57 -8.675 -8.384 8.335 1.00 0.00 N ATOM 0 H GLN A 57 -4.175 -7.578 8.781 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.032 -8.536 11.416 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.076 -8.992 8.593 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.895 -9.429 10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.326 -7.146 10.638 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.206 -6.555 9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.399 -9.252 8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.425 -8.389 7.644 1.00 0.00 H new ATOM 887 N THR A 58 -4.001 -10.452 8.911 1.00 0.00 N ATOM 888 CA THR A 58 -3.531 -11.792 8.594 1.00 0.00 C ATOM 889 C THR A 58 -2.030 -11.861 8.773 1.00 0.00 C ATOM 890 O THR A 58 -1.447 -12.936 8.917 1.00 0.00 O ATOM 891 CB THR A 58 -3.884 -12.179 7.123 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.124 -11.382 6.208 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.353 -11.932 6.835 1.00 0.00 C ATOM 0 H THR A 58 -4.083 -9.830 8.107 1.00 0.00 H new ATOM 0 HA THR A 58 -4.024 -12.491 9.269 1.00 0.00 H new ATOM 0 HB THR A 58 -3.653 -13.237 6.999 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.351 -11.633 5.288 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.573 -12.209 5.804 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.962 -12.533 7.511 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.580 -10.876 6.983 1.00 0.00 H new ATOM 901 N LYS A 59 -1.415 -10.678 8.762 1.00 0.00 N ATOM 902 CA LYS A 59 0.018 -10.510 8.845 1.00 0.00 C ATOM 903 C LYS A 59 0.726 -11.118 7.659 1.00 0.00 C ATOM 904 O LYS A 59 1.931 -11.383 7.708 1.00 0.00 O ATOM 905 CB LYS A 59 0.594 -11.004 10.174 1.00 0.00 C ATOM 906 CG LYS A 59 0.142 -10.195 11.380 1.00 0.00 C ATOM 907 CD LYS A 59 0.396 -8.708 11.166 1.00 0.00 C ATOM 908 CE LYS A 59 0.306 -7.922 12.456 1.00 0.00 C ATOM 909 NZ LYS A 59 1.364 -8.318 13.409 1.00 0.00 N ATOM 0 H LYS A 59 -1.921 -9.795 8.693 1.00 0.00 H new ATOM 0 HA LYS A 59 0.204 -9.437 8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.306 -12.045 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.682 -10.979 10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.920 -10.364 11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.673 -10.534 12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.384 -8.569 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.329 -8.316 10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.390 -6.857 12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.672 -8.079 12.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.531 -7.544 14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.065 -9.169 13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.242 -8.520 12.889 1.00 0.00 H new ATOM 923 N GLU A 60 -0.008 -11.299 6.576 1.00 0.00 N ATOM 924 CA GLU A 60 0.580 -11.793 5.376 1.00 0.00 C ATOM 925 C GLU A 60 1.313 -10.646 4.722 1.00 0.00 C ATOM 926 O GLU A 60 0.760 -9.540 4.593 1.00 0.00 O ATOM 927 CB GLU A 60 -0.482 -12.372 4.437 1.00 0.00 C ATOM 928 CG GLU A 60 0.074 -12.907 3.127 1.00 0.00 C ATOM 929 CD GLU A 60 1.079 -14.025 3.317 1.00 0.00 C ATOM 930 OE1 GLU A 60 2.252 -13.751 3.636 1.00 0.00 O ATOM 931 OE2 GLU A 60 0.720 -15.199 3.105 1.00 0.00 O ATOM 0 H GLU A 60 -1.008 -11.108 6.517 1.00 0.00 H new ATOM 0 HA GLU A 60 1.272 -12.604 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.007 -13.176 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.219 -11.599 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.749 -13.268 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.547 -12.091 2.580 1.00 0.00 H new ATOM 938 N GLU A 61 2.539 -10.869 4.374 1.00 0.00 N ATOM 939 CA GLU A 61 3.317 -9.847 3.777 1.00 0.00 C ATOM 940 C GLU A 61 3.190 -9.999 2.293 1.00 0.00 C ATOM 941 O GLU A 61 3.393 -11.091 1.742 1.00 0.00 O ATOM 942 CB GLU A 61 4.754 -9.982 4.170 1.00 0.00 C ATOM 943 CG GLU A 61 5.516 -8.681 4.177 1.00 0.00 C ATOM 944 CD GLU A 61 6.905 -8.851 4.714 1.00 0.00 C ATOM 945 OE1 GLU A 61 7.806 -9.213 3.948 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.122 -8.653 5.941 1.00 0.00 O ATOM 0 H GLU A 61 3.021 -11.759 4.497 1.00 0.00 H new ATOM 0 HA GLU A 61 2.967 -8.868 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.807 -10.427 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.244 -10.674 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.565 -8.283 3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.980 -7.949 4.781 1.00 0.00 H new ATOM 953 N TYR A 62 2.848 -8.955 1.657 1.00 0.00 N ATOM 954 CA TYR A 62 2.637 -8.971 0.260 1.00 0.00 C ATOM 955 C TYR A 62 3.910 -8.543 -0.422 1.00 0.00 C ATOM 956 O TYR A 62 4.207 -7.356 -0.514 1.00 0.00 O ATOM 957 CB TYR A 62 1.527 -8.022 -0.069 1.00 0.00 C ATOM 958 CG TYR A 62 0.243 -8.305 0.669 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.576 -9.356 0.306 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.147 -7.512 1.727 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.746 -9.604 0.982 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.310 -7.751 2.409 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.109 -8.794 2.032 1.00 0.00 C ATOM 964 OH TYR A 62 -3.273 -9.033 2.710 1.00 0.00 O ATOM 0 H TYR A 62 2.702 -8.045 2.094 1.00 0.00 H new ATOM 0 HA TYR A 62 2.365 -9.970 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.850 -7.007 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.335 -8.061 -1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.293 -9.991 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.479 -6.684 2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.377 -10.431 0.690 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.594 -7.120 3.238 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.474 -9.992 2.687 1.00 0.00 H new ATOM 974 N THR A 63 4.679 -9.505 -0.824 1.00 0.00 N ATOM 975 CA THR A 63 5.947 -9.265 -1.439 1.00 0.00 C ATOM 976 C THR A 63 5.841 -9.197 -2.971 1.00 0.00 C ATOM 977 O THR A 63 6.696 -8.615 -3.647 1.00 0.00 O ATOM 978 CB THR A 63 6.903 -10.369 -0.992 1.00 0.00 C ATOM 979 OG1 THR A 63 6.210 -11.634 -1.081 1.00 0.00 O ATOM 980 CG2 THR A 63 7.334 -10.140 0.454 1.00 0.00 C ATOM 0 H THR A 63 4.441 -10.493 -0.733 1.00 0.00 H new ATOM 0 HA THR A 63 6.326 -8.293 -1.125 1.00 0.00 H new ATOM 0 HB THR A 63 7.787 -10.366 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.810 -12.356 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.015 -10.934 0.761 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.839 -9.177 0.535 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.456 -10.145 1.100 1.00 0.00 H new ATOM 988 N ASP A 64 4.786 -9.770 -3.505 1.00 0.00 N ATOM 989 CA ASP A 64 4.545 -9.756 -4.936 1.00 0.00 C ATOM 990 C ASP A 64 3.586 -8.661 -5.263 1.00 0.00 C ATOM 991 O ASP A 64 2.534 -8.561 -4.646 1.00 0.00 O ATOM 992 CB ASP A 64 3.958 -11.073 -5.421 1.00 0.00 C ATOM 993 CG ASP A 64 4.922 -12.226 -5.393 1.00 0.00 C ATOM 994 OD1 ASP A 64 5.715 -12.377 -6.354 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.883 -13.038 -4.434 1.00 0.00 O ATOM 0 H ASP A 64 4.072 -10.258 -2.965 1.00 0.00 H new ATOM 0 HA ASP A 64 5.502 -9.599 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.094 -11.321 -4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.595 -10.942 -6.440 1.00 0.00 H new ATOM 1000 N ASP A 65 3.887 -7.881 -6.273 1.00 0.00 N ATOM 1001 CA ASP A 65 3.062 -6.718 -6.612 1.00 0.00 C ATOM 1002 C ASP A 65 1.739 -7.098 -7.257 1.00 0.00 C ATOM 1003 O ASP A 65 0.879 -6.231 -7.513 1.00 0.00 O ATOM 1004 CB ASP A 65 3.805 -5.669 -7.451 1.00 0.00 C ATOM 1005 CG ASP A 65 4.087 -6.100 -8.880 1.00 0.00 C ATOM 1006 OD1 ASP A 65 3.222 -5.924 -9.750 1.00 0.00 O ATOM 1007 OD2 ASP A 65 5.199 -6.590 -9.163 1.00 0.00 O ATOM 0 H ASP A 65 4.694 -8.020 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 65 2.833 -6.251 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.216 -4.752 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.750 -5.432 -6.962 1.00 0.00 H new ATOM 1012 N ASN A 66 1.563 -8.368 -7.490 1.00 0.00 N ATOM 1013 CA ASN A 66 0.334 -8.887 -8.058 1.00 0.00 C ATOM 1014 C ASN A 66 -0.689 -9.133 -6.954 1.00 0.00 C ATOM 1015 O ASN A 66 -1.859 -9.400 -7.236 1.00 0.00 O ATOM 1016 CB ASN A 66 0.601 -10.183 -8.821 1.00 0.00 C ATOM 1017 CG ASN A 66 0.770 -11.396 -7.943 1.00 0.00 C ATOM 1018 OD1 ASN A 66 1.962 -11.631 -7.556 1.00 0.00 O flip ATOM 1019 ND2 ASN A 66 -0.179 -12.114 -7.624 1.00 0.00 N flip ATOM 0 H ASN A 66 2.265 -9.081 -7.294 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.064 -8.149 -8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.223 -10.361 -9.511 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.500 -10.057 -9.424 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.119 -11.893 -7.954 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.025 -12.929 -7.030 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.232 -9.042 -5.693 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.093 -9.225 -4.538 1.00 0.00 C ATOM 1028 C ALA A 67 -2.181 -8.180 -4.554 1.00 0.00 C ATOM 1029 O ALA A 67 -1.958 -7.082 -5.019 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.290 -9.128 -3.257 1.00 0.00 C ATOM 0 H ALA A 67 0.740 -8.840 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.544 -10.216 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.951 -9.268 -2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.479 -9.900 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.180 -8.147 -3.196 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.340 -8.511 -4.097 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.430 -7.574 -4.131 1.00 0.00 C ATOM 1038 C LEU A 68 -4.892 -7.252 -2.723 1.00 0.00 C ATOM 1039 O LEU A 68 -4.941 -8.145 -1.855 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.570 -8.115 -5.014 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.359 -9.302 -4.460 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.561 -8.820 -3.692 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.746 -10.279 -5.554 1.00 0.00 C ATOM 0 H LEU A 68 -3.566 -9.420 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.091 -6.640 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.269 -7.301 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.148 -8.405 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.713 -9.846 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.112 -9.677 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.235 -8.192 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.207 -8.242 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.305 -11.108 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.365 -9.771 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.846 -10.661 -6.036 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.157 -5.996 -2.458 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.667 -5.628 -1.168 1.00 0.00 C ATOM 1057 C ILE A 69 -7.076 -5.037 -1.308 1.00 0.00 C ATOM 1058 O ILE A 69 -7.270 -4.006 -1.956 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.743 -4.644 -0.355 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.342 -5.238 -0.082 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.397 -4.255 0.966 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.370 -5.172 -1.243 1.00 0.00 C ATOM 0 H ILE A 69 -5.029 -5.223 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.696 -6.550 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.614 -3.757 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.903 -4.714 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.459 -6.281 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.741 -3.575 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.349 -3.761 0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.569 -5.150 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.419 -5.614 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.778 -5.722 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.213 -4.132 -1.528 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.073 -5.728 -0.763 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.453 -5.263 -0.754 1.00 0.00 C ATOM 1076 C PRO A 70 -9.706 -4.221 0.324 1.00 0.00 C ATOM 1077 O PRO A 70 -9.023 -4.184 1.352 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.248 -6.535 -0.455 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.312 -7.380 0.338 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.929 -7.043 -0.127 1.00 0.00 C ATOM 0 HA PRO A 70 -9.726 -4.777 -1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.156 -6.313 0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.555 -7.036 -1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.421 -7.182 1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.524 -8.439 0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.226 -7.008 0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.553 -7.786 -0.830 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.737 -3.412 0.117 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.130 -2.372 1.071 1.00 0.00 C ATOM 1090 C LYS A 71 -11.687 -2.964 2.353 1.00 0.00 C ATOM 1091 O LYS A 71 -11.936 -2.269 3.335 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.106 -1.403 0.401 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.309 -2.037 -0.299 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.463 -2.384 0.626 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.671 -2.857 -0.180 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.249 -1.776 -1.036 1.00 0.00 N ATOM 0 H LYS A 71 -11.326 -3.455 -0.714 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.243 -1.811 1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.475 -0.710 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.555 -0.812 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.669 -1.353 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.982 -2.944 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.156 -3.163 1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.734 -1.512 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.377 -3.696 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.438 -3.224 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.055 -2.153 -1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.571 -0.992 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.523 -1.430 -1.696 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.861 -4.249 2.326 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.368 -5.007 3.446 1.00 0.00 C ATOM 1112 C ASN A 72 -11.233 -5.340 4.424 1.00 0.00 C ATOM 1113 O ASN A 72 -11.485 -5.782 5.546 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.026 -6.312 2.951 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.118 -6.087 1.908 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -13.845 -6.074 0.705 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -15.336 -5.885 2.346 1.00 0.00 N ATOM 0 H ASN A 72 -11.652 -4.821 1.508 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.114 -4.403 3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.258 -6.959 2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.453 -6.840 3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.093 -5.710 1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.527 -5.903 3.348 1.00 0.00 H new ATOM 1124 N SER A 73 -9.990 -5.121 3.999 1.00 0.00 N ATOM 1125 CA SER A 73 -8.827 -5.424 4.815 1.00 0.00 C ATOM 1126 C SER A 73 -8.089 -4.141 5.238 1.00 0.00 C ATOM 1127 O SER A 73 -8.167 -3.108 4.557 1.00 0.00 O ATOM 1128 CB SER A 73 -7.863 -6.312 4.020 1.00 0.00 C ATOM 1129 OG SER A 73 -8.505 -7.489 3.564 1.00 0.00 O ATOM 0 H SER A 73 -9.767 -4.731 3.084 1.00 0.00 H new ATOM 0 HA SER A 73 -9.170 -5.939 5.712 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.471 -5.756 3.168 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.011 -6.579 4.646 1.00 0.00 H new ATOM 0 HG SER A 73 -7.867 -8.035 3.059 1.00 0.00 H new ATOM 1135 N SER A 74 -7.423 -4.211 6.366 1.00 0.00 N ATOM 1136 CA SER A 74 -6.574 -3.144 6.844 1.00 0.00 C ATOM 1137 C SER A 74 -5.113 -3.635 6.731 1.00 0.00 C ATOM 1138 O SER A 74 -4.804 -4.777 7.124 1.00 0.00 O ATOM 1139 CB SER A 74 -6.924 -2.828 8.304 1.00 0.00 C ATOM 1140 OG SER A 74 -8.344 -2.660 8.474 1.00 0.00 O ATOM 0 H SER A 74 -7.455 -5.020 6.986 1.00 0.00 H new ATOM 0 HA SER A 74 -6.713 -2.235 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.571 -3.633 8.948 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.408 -1.920 8.616 1.00 0.00 H new ATOM 0 HG SER A 74 -8.540 -2.461 9.413 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.238 -2.826 6.181 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.860 -3.231 5.950 1.00 0.00 C ATOM 1148 C VAL A 75 -1.836 -2.220 6.546 1.00 0.00 C ATOM 1149 O VAL A 75 -2.174 -1.079 6.843 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.581 -3.511 4.422 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.347 -4.739 3.940 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.978 -2.332 3.545 1.00 0.00 C ATOM 0 H VAL A 75 -4.453 -1.875 5.881 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.718 -4.170 6.484 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.508 -3.679 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.136 -4.908 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.037 -5.611 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.416 -4.577 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.769 -2.568 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.043 -2.131 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.407 -1.451 3.839 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.611 -2.671 6.744 1.00 0.00 N ATOM 1163 CA ILE A 76 0.472 -1.862 7.297 1.00 0.00 C ATOM 1164 C ILE A 76 1.493 -1.653 6.189 1.00 0.00 C ATOM 1165 O ILE A 76 1.883 -2.612 5.507 1.00 0.00 O ATOM 1166 CB ILE A 76 1.193 -2.575 8.495 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.185 -3.105 9.525 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.175 -1.615 9.189 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.652 -2.033 10.183 1.00 0.00 C ATOM 0 H ILE A 76 -0.331 -3.626 6.523 1.00 0.00 H new ATOM 0 HA ILE A 76 0.054 -0.926 7.667 1.00 0.00 H new ATOM 0 HB ILE A 76 1.744 -3.420 8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.478 -3.817 9.034 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.726 -3.653 10.297 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.664 -2.130 10.016 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.927 -1.283 8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.631 -0.751 9.570 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.337 -2.492 10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.001 -1.332 10.706 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.223 -1.500 9.423 1.00 0.00 H new ATOM 1181 N VAL A 77 1.927 -0.444 6.014 1.00 0.00 N ATOM 1182 CA VAL A 77 2.814 -0.106 4.935 1.00 0.00 C ATOM 1183 C VAL A 77 4.220 0.204 5.463 1.00 0.00 C ATOM 1184 O VAL A 77 4.391 0.999 6.389 1.00 0.00 O ATOM 1185 CB VAL A 77 2.262 1.095 4.140 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.089 1.356 2.914 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.819 0.858 3.759 1.00 0.00 C ATOM 0 H VAL A 77 1.678 0.342 6.615 1.00 0.00 H new ATOM 0 HA VAL A 77 2.881 -0.965 4.267 1.00 0.00 H new ATOM 0 HB VAL A 77 2.316 1.976 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.678 2.208 2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.116 1.574 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.075 0.476 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.445 1.715 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.748 -0.038 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.222 0.726 4.661 1.00 0.00 H new ATOM 1197 N ARG A 78 5.193 -0.426 4.863 1.00 0.00 N ATOM 1198 CA ARG A 78 6.581 -0.337 5.219 1.00 0.00 C ATOM 1199 C ARG A 78 7.361 0.041 3.961 1.00 0.00 C ATOM 1200 O ARG A 78 6.932 -0.257 2.868 1.00 0.00 O ATOM 1201 CB ARG A 78 7.001 -1.731 5.683 1.00 0.00 C ATOM 1202 CG ARG A 78 8.454 -1.917 6.084 1.00 0.00 C ATOM 1203 CD ARG A 78 8.769 -3.401 6.230 1.00 0.00 C ATOM 1204 NE ARG A 78 7.786 -4.094 7.072 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.473 -5.394 6.995 1.00 0.00 C ATOM 1206 NH1 ARG A 78 8.126 -6.203 6.173 1.00 0.00 N ATOM 1207 NH2 ARG A 78 6.516 -5.882 7.757 1.00 0.00 N ATOM 0 H ARG A 78 5.029 -1.048 4.071 1.00 0.00 H new ATOM 0 HA ARG A 78 6.765 0.402 5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.377 -2.007 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.778 -2.436 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.107 -1.470 5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.649 -1.401 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.792 -3.865 5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.763 -3.519 6.661 1.00 0.00 H new ATOM 0 HE ARG A 78 7.300 -3.538 7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.878 -5.838 5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.877 -7.191 6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.016 -5.270 8.403 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.274 -6.871 7.701 1.00 0.00 H new ATOM 1221 N ARG A 79 8.469 0.692 4.108 1.00 0.00 N ATOM 1222 CA ARG A 79 9.287 1.058 2.976 1.00 0.00 C ATOM 1223 C ARG A 79 10.569 0.230 3.004 1.00 0.00 C ATOM 1224 O ARG A 79 11.245 0.174 4.033 1.00 0.00 O ATOM 1225 CB ARG A 79 9.567 2.554 3.022 1.00 0.00 C ATOM 1226 CG ARG A 79 10.437 3.077 1.906 1.00 0.00 C ATOM 1227 CD ARG A 79 10.505 4.596 1.933 1.00 0.00 C ATOM 1228 NE ARG A 79 10.955 5.127 3.227 1.00 0.00 N ATOM 1229 CZ ARG A 79 11.702 6.220 3.386 1.00 0.00 C ATOM 1230 NH1 ARG A 79 12.135 6.895 2.329 1.00 0.00 N ATOM 1231 NH2 ARG A 79 12.002 6.649 4.602 1.00 0.00 N ATOM 0 H ARG A 79 8.840 0.989 5.010 1.00 0.00 H new ATOM 0 HA ARG A 79 8.772 0.848 2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.616 3.087 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.043 2.790 3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.441 2.663 1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.042 2.744 0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.183 4.938 1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.520 5.003 1.702 1.00 0.00 H new ATOM 0 HE ARG A 79 10.675 4.621 4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.897 6.578 1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.706 7.730 2.456 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.662 6.143 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.574 7.485 4.721 1.00 0.00 H new ATOM 1245 N ILE A 80 10.882 -0.429 1.894 1.00 0.00 N ATOM 1246 CA ILE A 80 12.029 -1.340 1.820 1.00 0.00 C ATOM 1247 C ILE A 80 12.867 -1.061 0.552 1.00 0.00 C ATOM 1248 O ILE A 80 12.385 -0.410 -0.347 1.00 0.00 O ATOM 1249 CB ILE A 80 11.551 -2.850 1.888 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.535 -3.228 0.790 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.977 -3.193 3.245 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.153 -3.632 -0.518 1.00 0.00 C ATOM 0 H ILE A 80 10.355 -0.351 1.024 1.00 0.00 H new ATOM 0 HA ILE A 80 12.671 -1.161 2.683 1.00 0.00 H new ATOM 0 HB ILE A 80 12.452 -3.438 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.915 -4.048 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.873 -2.380 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.660 -4.236 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.737 -3.039 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.120 -2.552 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.367 -3.881 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.749 -2.808 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.792 -4.502 -0.365 1.00 0.00 H new ATOM 1264 N PRO A 81 14.134 -1.512 0.481 1.00 0.00 N ATOM 1265 CA PRO A 81 14.975 -1.326 -0.723 1.00 0.00 C ATOM 1266 C PRO A 81 14.450 -2.127 -1.925 1.00 0.00 C ATOM 1267 O PRO A 81 14.055 -3.285 -1.779 1.00 0.00 O ATOM 1268 CB PRO A 81 16.343 -1.876 -0.294 1.00 0.00 C ATOM 1269 CG PRO A 81 16.049 -2.790 0.846 1.00 0.00 C ATOM 1270 CD PRO A 81 14.874 -2.196 1.560 1.00 0.00 C ATOM 0 HA PRO A 81 14.995 -0.285 -1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.829 -2.408 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.015 -1.072 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.822 -3.795 0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.909 -2.873 1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.266 -2.962 2.042 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.186 -1.500 2.339 1.00 0.00 H new