USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 94 THR OG1 : rot -176:sc= -1.98! USER MOD Set 1.2: A 98 LYS NZ :NH3+ -154:sc= 0.0174 (180deg=-0.0901) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 29 GLN : amide:sc= -0.033 K(o=-0.033,f=-0.87) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.11) USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= -0.203 (180deg=-1.68!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00389 USER MOD Single : A 43 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -38:sc= 0.294 USER MOD Single : A 47 SER OG : rot 180:sc= -0.212 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.866 K(o=0.87,f=-6.7!) USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= 0.69 (180deg=0.464) USER MOD Single : A 57 MET CE :methyl 154:sc= -1.54 (180deg=-4.13!) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= 0.689 (180deg=0.597) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -133:sc= -2.99! (180deg=-5.2!) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.125 F(o=-2.2!,f=-0.13) USER MOD Single : A 76 TYR OH : rot -134:sc= 1.33 USER MOD Single : A 81 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 147:sc= -0.19 (180deg=-1.65) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.773 K(o=0.77,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 25 16.191 -3.820 5.679 1.00 2.19 N ATOM 2 CA LEU A 25 15.859 -3.447 4.287 1.00 2.00 C ATOM 3 C LEU A 25 16.877 -2.461 3.745 1.00 2.03 C ATOM 4 O LEU A 25 17.110 -1.409 4.338 1.00 2.16 O ATOM 5 CB LEU A 25 14.463 -2.828 4.220 1.00 1.86 C ATOM 6 CG LEU A 25 13.319 -3.759 4.622 1.00 1.84 C ATOM 7 CD1 LEU A 25 12.014 -2.988 4.705 1.00 2.04 C ATOM 8 CD2 LEU A 25 13.196 -4.916 3.639 1.00 2.35 C ATOM 0 HA LEU A 25 15.879 -4.351 3.678 1.00 2.00 H new ATOM 0 HB2 LEU A 25 14.441 -1.951 4.866 1.00 1.86 H new ATOM 0 HB3 LEU A 25 14.286 -2.479 3.203 1.00 1.86 H new ATOM 0 HG LEU A 25 13.541 -4.171 5.606 1.00 1.84 H new ATOM 0 HD11 LEU A 25 11.209 -3.665 4.992 1.00 2.04 H new ATOM 0 HD12 LEU A 25 12.106 -2.197 5.449 1.00 2.04 H new ATOM 0 HD13 LEU A 25 11.789 -2.548 3.733 1.00 2.04 H new ATOM 0 HD21 LEU A 25 12.376 -5.566 3.943 1.00 2.35 H new ATOM 0 HD22 LEU A 25 12.998 -4.526 2.641 1.00 2.35 H new ATOM 0 HD23 LEU A 25 14.126 -5.485 3.628 1.00 2.35 H new ATOM 22 N SER A 26 17.484 -2.804 2.622 1.00 2.05 N ATOM 23 CA SER A 26 18.465 -1.934 1.999 1.00 2.13 C ATOM 24 C SER A 26 17.788 -0.686 1.433 1.00 1.83 C ATOM 25 O SER A 26 16.586 -0.692 1.144 1.00 1.63 O ATOM 26 CB SER A 26 19.197 -2.683 0.889 1.00 2.37 C ATOM 27 OG SER A 26 19.349 -4.060 1.208 1.00 2.73 O ATOM 0 H SER A 26 17.315 -3.678 2.124 1.00 2.05 H new ATOM 0 HA SER A 26 19.187 -1.625 2.755 1.00 2.13 H new ATOM 0 HB2 SER A 26 18.645 -2.583 -0.045 1.00 2.37 H new ATOM 0 HB3 SER A 26 20.177 -2.234 0.730 1.00 2.37 H new ATOM 0 HG SER A 26 19.820 -4.515 0.479 1.00 2.73 H new ATOM 33 N GLU A 27 18.567 0.377 1.265 1.00 1.84 N ATOM 34 CA GLU A 27 18.055 1.661 0.789 1.00 1.64 C ATOM 35 C GLU A 27 17.433 1.534 -0.599 1.00 1.38 C ATOM 36 O GLU A 27 16.536 2.299 -0.959 1.00 1.18 O ATOM 37 CB GLU A 27 19.176 2.705 0.753 1.00 1.82 C ATOM 38 CG GLU A 27 19.743 3.069 2.122 1.00 2.09 C ATOM 39 CD GLU A 27 20.383 1.895 2.834 1.00 2.19 C ATOM 40 OE1 GLU A 27 21.252 1.232 2.230 1.00 2.50 O ATOM 41 OE2 GLU A 27 20.035 1.645 4.009 1.00 2.66 O ATOM 0 H GLU A 27 19.569 0.375 1.454 1.00 1.84 H new ATOM 0 HA GLU A 27 17.281 1.983 1.486 1.00 1.64 H new ATOM 0 HB2 GLU A 27 19.985 2.330 0.126 1.00 1.82 H new ATOM 0 HB3 GLU A 27 18.798 3.610 0.278 1.00 1.82 H new ATOM 0 HG2 GLU A 27 20.483 3.861 2.003 1.00 2.09 H new ATOM 0 HG3 GLU A 27 18.943 3.471 2.744 1.00 2.09 H new ATOM 48 N GLU A 28 17.921 0.568 -1.367 1.00 1.45 N ATOM 49 CA GLU A 28 17.405 0.288 -2.703 1.00 1.33 C ATOM 50 C GLU A 28 15.908 -0.019 -2.664 1.00 1.15 C ATOM 51 O GLU A 28 15.146 0.461 -3.500 1.00 1.01 O ATOM 52 CB GLU A 28 18.172 -0.888 -3.303 1.00 1.59 C ATOM 53 CG GLU A 28 18.247 -2.078 -2.365 1.00 1.83 C ATOM 54 CD GLU A 28 19.108 -3.197 -2.896 1.00 2.29 C ATOM 55 OE1 GLU A 28 20.342 -3.021 -2.961 1.00 2.57 O ATOM 56 OE2 GLU A 28 18.559 -4.265 -3.225 1.00 2.53 O ATOM 0 H GLU A 28 18.686 -0.044 -1.082 1.00 1.45 H new ATOM 0 HA GLU A 28 17.545 1.172 -3.325 1.00 1.33 H new ATOM 0 HB2 GLU A 28 17.692 -1.193 -4.233 1.00 1.59 H new ATOM 0 HB3 GLU A 28 19.182 -0.566 -3.557 1.00 1.59 H new ATOM 0 HG2 GLU A 28 18.640 -1.750 -1.403 1.00 1.83 H new ATOM 0 HG3 GLU A 28 17.240 -2.456 -2.186 1.00 1.83 H new ATOM 63 N GLN A 29 15.493 -0.814 -1.678 1.00 1.23 N ATOM 64 CA GLN A 29 14.088 -1.157 -1.511 1.00 1.11 C ATOM 65 C GLN A 29 13.280 0.094 -1.197 1.00 0.88 C ATOM 66 O GLN A 29 12.222 0.322 -1.778 1.00 0.73 O ATOM 67 CB GLN A 29 13.914 -2.183 -0.388 1.00 1.29 C ATOM 68 CG GLN A 29 14.476 -3.557 -0.718 1.00 1.88 C ATOM 69 CD GLN A 29 13.654 -4.299 -1.758 1.00 2.64 C ATOM 70 OE1 GLN A 29 12.437 -4.121 -1.853 1.00 3.15 O ATOM 71 NE2 GLN A 29 14.312 -5.138 -2.542 1.00 3.30 N ATOM 0 H GLN A 29 16.113 -1.231 -0.984 1.00 1.23 H new ATOM 0 HA GLN A 29 13.726 -1.594 -2.442 1.00 1.11 H new ATOM 0 HB2 GLN A 29 14.401 -1.808 0.512 1.00 1.29 H new ATOM 0 HB3 GLN A 29 12.853 -2.280 -0.159 1.00 1.29 H new ATOM 0 HG2 GLN A 29 15.498 -3.448 -1.081 1.00 1.88 H new ATOM 0 HG3 GLN A 29 14.523 -4.153 0.193 1.00 1.88 H new ATOM 0 HE21 GLN A 29 15.319 -5.256 -2.431 1.00 3.30 H new ATOM 0 HE22 GLN A 29 13.812 -5.666 -3.257 1.00 3.30 H new ATOM 80 N LYS A 30 13.812 0.911 -0.292 1.00 0.95 N ATOM 81 CA LYS A 30 13.154 2.147 0.122 1.00 0.92 C ATOM 82 C LYS A 30 12.852 3.013 -1.084 1.00 0.75 C ATOM 83 O LYS A 30 11.776 3.589 -1.192 1.00 0.72 O ATOM 84 CB LYS A 30 14.049 2.960 1.045 1.00 1.20 C ATOM 85 CG LYS A 30 14.851 2.157 2.038 1.00 1.50 C ATOM 86 CD LYS A 30 14.052 1.734 3.254 1.00 1.83 C ATOM 87 CE LYS A 30 13.845 2.903 4.204 1.00 1.97 C ATOM 88 NZ LYS A 30 13.404 2.468 5.556 1.00 2.57 N ATOM 0 H LYS A 30 14.704 0.737 0.172 1.00 0.95 H new ATOM 0 HA LYS A 30 12.237 1.864 0.638 1.00 0.92 H new ATOM 0 HB2 LYS A 30 14.738 3.544 0.434 1.00 1.20 H new ATOM 0 HB3 LYS A 30 13.429 3.669 1.593 1.00 1.20 H new ATOM 0 HG2 LYS A 30 15.244 1.269 1.543 1.00 1.50 H new ATOM 0 HG3 LYS A 30 15.709 2.746 2.363 1.00 1.50 H new ATOM 0 HD2 LYS A 30 13.085 1.341 2.940 1.00 1.83 H new ATOM 0 HD3 LYS A 30 14.571 0.927 3.772 1.00 1.83 H new ATOM 0 HE2 LYS A 30 14.775 3.464 4.292 1.00 1.97 H new ATOM 0 HE3 LYS A 30 13.102 3.581 3.784 1.00 1.97 H new ATOM 0 HZ1 LYS A 30 13.277 3.302 6.165 1.00 2.57 H new ATOM 0 HZ2 LYS A 30 12.502 1.955 5.479 1.00 2.57 H new ATOM 0 HZ3 LYS A 30 14.124 1.842 5.971 1.00 2.57 H new ATOM 102 N GLN A 31 13.840 3.123 -1.958 1.00 0.77 N ATOM 103 CA GLN A 31 13.726 3.916 -3.174 1.00 0.75 C ATOM 104 C GLN A 31 12.466 3.565 -3.954 1.00 0.64 C ATOM 105 O GLN A 31 11.707 4.456 -4.323 1.00 0.75 O ATOM 106 CB GLN A 31 14.960 3.726 -4.050 1.00 0.87 C ATOM 107 CG GLN A 31 16.196 4.433 -3.517 1.00 1.12 C ATOM 108 CD GLN A 31 16.063 5.946 -3.562 1.00 1.93 C ATOM 109 OE1 GLN A 31 16.391 6.579 -4.566 1.00 2.61 O ATOM 110 NE2 GLN A 31 15.605 6.542 -2.470 1.00 2.55 N ATOM 0 H GLN A 31 14.744 2.665 -1.845 1.00 0.77 H new ATOM 0 HA GLN A 31 13.656 4.964 -2.881 1.00 0.75 H new ATOM 0 HB2 GLN A 31 15.171 2.660 -4.140 1.00 0.87 H new ATOM 0 HB3 GLN A 31 14.744 4.095 -5.053 1.00 0.87 H new ATOM 0 HG2 GLN A 31 16.377 4.117 -2.490 1.00 1.12 H new ATOM 0 HG3 GLN A 31 17.065 4.130 -4.101 1.00 1.12 H new ATOM 0 HE21 GLN A 31 15.343 5.985 -1.657 1.00 2.55 H new ATOM 0 HE22 GLN A 31 15.515 7.558 -2.443 1.00 2.55 H new ATOM 119 N GLU A 32 12.234 2.272 -4.178 1.00 0.58 N ATOM 120 CA GLU A 32 11.029 1.821 -4.874 1.00 0.62 C ATOM 121 C GLU A 32 9.787 2.138 -4.045 1.00 0.56 C ATOM 122 O GLU A 32 8.714 2.409 -4.584 1.00 0.62 O ATOM 123 CB GLU A 32 11.084 0.314 -5.149 1.00 0.77 C ATOM 124 CG GLU A 32 12.249 -0.122 -6.023 1.00 1.09 C ATOM 125 CD GLU A 32 12.164 -1.588 -6.410 1.00 1.90 C ATOM 126 OE1 GLU A 32 12.615 -2.450 -5.629 1.00 2.77 O ATOM 127 OE2 GLU A 32 11.634 -1.888 -7.501 1.00 2.03 O ATOM 0 H GLU A 32 12.861 1.521 -3.889 1.00 0.58 H new ATOM 0 HA GLU A 32 10.977 2.350 -5.825 1.00 0.62 H new ATOM 0 HB2 GLU A 32 11.141 -0.215 -4.198 1.00 0.77 H new ATOM 0 HB3 GLU A 32 10.153 0.010 -5.627 1.00 0.77 H new ATOM 0 HG2 GLU A 32 12.271 0.489 -6.926 1.00 1.09 H new ATOM 0 HG3 GLU A 32 13.185 0.058 -5.493 1.00 1.09 H new ATOM 134 N ILE A 33 9.955 2.109 -2.733 1.00 0.51 N ATOM 135 CA ILE A 33 8.861 2.342 -1.801 1.00 0.51 C ATOM 136 C ILE A 33 8.366 3.791 -1.851 1.00 0.50 C ATOM 137 O ILE A 33 7.177 4.029 -2.029 1.00 0.54 O ATOM 138 CB ILE A 33 9.284 1.960 -0.367 1.00 0.53 C ATOM 139 CG1 ILE A 33 9.584 0.459 -0.311 1.00 0.59 C ATOM 140 CG2 ILE A 33 8.209 2.332 0.643 1.00 0.55 C ATOM 141 CD1 ILE A 33 10.147 -0.006 1.010 1.00 0.68 C ATOM 0 H ILE A 33 10.852 1.924 -2.283 1.00 0.51 H new ATOM 0 HA ILE A 33 8.030 1.705 -2.104 1.00 0.51 H new ATOM 0 HB ILE A 33 10.183 2.519 -0.105 1.00 0.53 H new ATOM 0 HG12 ILE A 33 8.667 -0.092 -0.517 1.00 0.59 H new ATOM 0 HG13 ILE A 33 10.290 0.210 -1.103 1.00 0.59 H new ATOM 0 HG21 ILE A 33 8.537 2.050 1.644 1.00 0.55 H new ATOM 0 HG22 ILE A 33 8.033 3.407 0.608 1.00 0.55 H new ATOM 0 HG23 ILE A 33 7.286 1.806 0.402 1.00 0.55 H new ATOM 0 HD11 ILE A 33 10.332 -1.079 0.969 1.00 0.68 H new ATOM 0 HD12 ILE A 33 11.082 0.516 1.211 1.00 0.68 H new ATOM 0 HD13 ILE A 33 9.433 0.209 1.805 1.00 0.68 H new ATOM 153 N LYS A 34 9.273 4.762 -1.721 1.00 0.53 N ATOM 154 CA LYS A 34 8.870 6.175 -1.804 1.00 0.60 C ATOM 155 C LYS A 34 8.398 6.466 -3.216 1.00 0.54 C ATOM 156 O LYS A 34 7.516 7.289 -3.440 1.00 0.59 O ATOM 157 CB LYS A 34 10.004 7.169 -1.496 1.00 0.76 C ATOM 158 CG LYS A 34 11.227 6.610 -0.795 1.00 1.13 C ATOM 159 CD LYS A 34 11.009 6.472 0.695 1.00 1.13 C ATOM 160 CE LYS A 34 12.039 5.544 1.302 1.00 1.48 C ATOM 161 NZ LYS A 34 12.192 5.762 2.766 1.00 1.85 N ATOM 0 H LYS A 34 10.268 4.607 -1.562 1.00 0.53 H new ATOM 0 HA LYS A 34 8.091 6.311 -1.053 1.00 0.60 H new ATOM 0 HB2 LYS A 34 10.326 7.620 -2.435 1.00 0.76 H new ATOM 0 HB3 LYS A 34 9.596 7.971 -0.881 1.00 0.76 H new ATOM 0 HG2 LYS A 34 11.474 5.636 -1.217 1.00 1.13 H new ATOM 0 HG3 LYS A 34 12.080 7.263 -0.978 1.00 1.13 H new ATOM 0 HD2 LYS A 34 11.071 7.452 1.169 1.00 1.13 H new ATOM 0 HD3 LYS A 34 10.007 6.087 0.887 1.00 1.13 H new ATOM 0 HE2 LYS A 34 11.748 4.510 1.118 1.00 1.48 H new ATOM 0 HE3 LYS A 34 13.000 5.697 0.810 1.00 1.48 H new ATOM 0 HZ1 LYS A 34 13.182 5.599 3.040 1.00 1.85 H new ATOM 0 HZ2 LYS A 34 11.924 6.739 3.001 1.00 1.85 H new ATOM 0 HZ3 LYS A 34 11.577 5.101 3.282 1.00 1.85 H new ATOM 175 N GLU A 35 9.025 5.778 -4.155 1.00 0.52 N ATOM 176 CA GLU A 35 8.744 5.930 -5.569 1.00 0.58 C ATOM 177 C GLU A 35 7.276 5.623 -5.854 1.00 0.53 C ATOM 178 O GLU A 35 6.569 6.415 -6.481 1.00 0.58 O ATOM 179 CB GLU A 35 9.648 4.979 -6.342 1.00 0.72 C ATOM 180 CG GLU A 35 9.821 5.333 -7.809 1.00 1.17 C ATOM 181 CD GLU A 35 10.561 6.637 -8.016 1.00 1.51 C ATOM 182 OE1 GLU A 35 11.810 6.620 -8.026 1.00 1.97 O ATOM 183 OE2 GLU A 35 9.901 7.680 -8.187 1.00 2.02 O ATOM 0 H GLU A 35 9.751 5.091 -3.953 1.00 0.52 H new ATOM 0 HA GLU A 35 8.936 6.957 -5.879 1.00 0.58 H new ATOM 0 HB2 GLU A 35 10.629 4.962 -5.867 1.00 0.72 H new ATOM 0 HB3 GLU A 35 9.241 3.970 -6.269 1.00 0.72 H new ATOM 0 HG2 GLU A 35 10.362 4.530 -8.310 1.00 1.17 H new ATOM 0 HG3 GLU A 35 8.840 5.399 -8.280 1.00 1.17 H new ATOM 190 N ALA A 36 6.824 4.469 -5.376 1.00 0.47 N ATOM 191 CA ALA A 36 5.427 4.082 -5.508 1.00 0.45 C ATOM 192 C ALA A 36 4.553 4.937 -4.603 1.00 0.39 C ATOM 193 O ALA A 36 3.443 5.318 -4.975 1.00 0.40 O ATOM 194 CB ALA A 36 5.254 2.602 -5.187 1.00 0.52 C ATOM 0 H ALA A 36 7.407 3.785 -4.893 1.00 0.47 H new ATOM 0 HA ALA A 36 5.114 4.247 -6.539 1.00 0.45 H new ATOM 0 HB1 ALA A 36 4.204 2.328 -5.290 1.00 0.52 H new ATOM 0 HB2 ALA A 36 5.854 2.008 -5.876 1.00 0.52 H new ATOM 0 HB3 ALA A 36 5.580 2.411 -4.165 1.00 0.52 H new ATOM 200 N PHE A 37 5.073 5.248 -3.421 1.00 0.38 N ATOM 201 CA PHE A 37 4.385 6.089 -2.456 1.00 0.36 C ATOM 202 C PHE A 37 3.966 7.416 -3.087 1.00 0.37 C ATOM 203 O PHE A 37 2.788 7.778 -3.073 1.00 0.42 O ATOM 204 CB PHE A 37 5.307 6.348 -1.264 1.00 0.37 C ATOM 205 CG PHE A 37 4.669 7.168 -0.191 1.00 0.39 C ATOM 206 CD1 PHE A 37 3.495 6.752 0.405 1.00 0.44 C ATOM 207 CD2 PHE A 37 5.250 8.352 0.221 1.00 0.52 C ATOM 208 CE1 PHE A 37 2.904 7.504 1.394 1.00 0.52 C ATOM 209 CE2 PHE A 37 4.667 9.109 1.212 1.00 0.61 C ATOM 210 CZ PHE A 37 3.488 8.686 1.800 1.00 0.58 C ATOM 0 H PHE A 37 5.987 4.921 -3.107 1.00 0.38 H new ATOM 0 HA PHE A 37 3.484 5.574 -2.122 1.00 0.36 H new ATOM 0 HB2 PHE A 37 5.622 5.393 -0.843 1.00 0.37 H new ATOM 0 HB3 PHE A 37 6.207 6.855 -1.613 1.00 0.37 H new ATOM 0 HD1 PHE A 37 3.036 5.826 0.091 1.00 0.44 H new ATOM 0 HD2 PHE A 37 6.169 8.686 -0.238 1.00 0.52 H new ATOM 0 HE1 PHE A 37 1.985 7.170 1.852 1.00 0.52 H new ATOM 0 HE2 PHE A 37 5.129 10.032 1.530 1.00 0.61 H new ATOM 0 HZ PHE A 37 3.026 9.280 2.575 1.00 0.58 H new ATOM 220 N ASP A 38 4.939 8.119 -3.649 1.00 0.39 N ATOM 221 CA ASP A 38 4.708 9.428 -4.254 1.00 0.46 C ATOM 222 C ASP A 38 3.822 9.308 -5.485 1.00 0.44 C ATOM 223 O ASP A 38 3.019 10.194 -5.782 1.00 0.53 O ATOM 224 CB ASP A 38 6.044 10.058 -4.644 1.00 0.57 C ATOM 225 CG ASP A 38 5.899 11.493 -5.107 1.00 1.20 C ATOM 226 OD1 ASP A 38 5.555 12.359 -4.277 1.00 1.20 O ATOM 227 OD2 ASP A 38 6.111 11.758 -6.310 1.00 2.10 O ATOM 0 H ASP A 38 5.907 7.802 -3.700 1.00 0.39 H new ATOM 0 HA ASP A 38 4.202 10.060 -3.524 1.00 0.46 H new ATOM 0 HB2 ASP A 38 6.721 10.022 -3.791 1.00 0.57 H new ATOM 0 HB3 ASP A 38 6.501 9.468 -5.439 1.00 0.57 H new ATOM 232 N LEU A 39 3.977 8.203 -6.193 1.00 0.40 N ATOM 233 CA LEU A 39 3.197 7.932 -7.390 1.00 0.43 C ATOM 234 C LEU A 39 1.718 7.736 -7.058 1.00 0.46 C ATOM 235 O LEU A 39 0.846 8.332 -7.696 1.00 0.55 O ATOM 236 CB LEU A 39 3.757 6.689 -8.091 1.00 0.46 C ATOM 237 CG LEU A 39 2.873 6.089 -9.187 1.00 0.53 C ATOM 238 CD1 LEU A 39 2.645 7.093 -10.307 1.00 1.27 C ATOM 239 CD2 LEU A 39 3.497 4.815 -9.732 1.00 1.09 C ATOM 0 H LEU A 39 4.645 7.469 -5.956 1.00 0.40 H new ATOM 0 HA LEU A 39 3.272 8.792 -8.056 1.00 0.43 H new ATOM 0 HB2 LEU A 39 4.722 6.945 -8.528 1.00 0.46 H new ATOM 0 HB3 LEU A 39 3.941 5.922 -7.338 1.00 0.46 H new ATOM 0 HG LEU A 39 1.905 5.842 -8.750 1.00 0.53 H new ATOM 0 HD11 LEU A 39 2.014 6.645 -11.075 1.00 1.27 H new ATOM 0 HD12 LEU A 39 2.154 7.980 -9.906 1.00 1.27 H new ATOM 0 HD13 LEU A 39 3.603 7.375 -10.744 1.00 1.27 H new ATOM 0 HD21 LEU A 39 2.857 4.400 -10.510 1.00 1.09 H new ATOM 0 HD22 LEU A 39 4.478 5.041 -10.151 1.00 1.09 H new ATOM 0 HD23 LEU A 39 3.605 4.089 -8.926 1.00 1.09 H new ATOM 251 N PHE A 40 1.441 6.917 -6.053 1.00 0.48 N ATOM 252 CA PHE A 40 0.070 6.562 -5.723 1.00 0.58 C ATOM 253 C PHE A 40 -0.644 7.675 -4.969 1.00 0.55 C ATOM 254 O PHE A 40 -1.869 7.776 -5.035 1.00 0.63 O ATOM 255 CB PHE A 40 0.021 5.262 -4.922 1.00 0.74 C ATOM 256 CG PHE A 40 0.443 4.063 -5.719 1.00 0.55 C ATOM 257 CD1 PHE A 40 -0.018 3.865 -7.010 1.00 0.92 C ATOM 258 CD2 PHE A 40 1.308 3.130 -5.170 1.00 0.74 C ATOM 259 CE1 PHE A 40 0.376 2.759 -7.739 1.00 1.38 C ATOM 260 CE2 PHE A 40 1.705 2.023 -5.892 1.00 1.01 C ATOM 261 CZ PHE A 40 1.209 1.849 -7.212 1.00 1.36 C ATOM 0 H PHE A 40 2.146 6.487 -5.454 1.00 0.48 H new ATOM 0 HA PHE A 40 -0.456 6.414 -6.666 1.00 0.58 H new ATOM 0 HB2 PHE A 40 0.667 5.356 -4.049 1.00 0.74 H new ATOM 0 HB3 PHE A 40 -0.993 5.107 -4.554 1.00 0.74 H new ATOM 0 HD1 PHE A 40 -0.693 4.583 -7.452 1.00 0.92 H new ATOM 0 HD2 PHE A 40 1.676 3.271 -4.164 1.00 0.74 H new ATOM 0 HE1 PHE A 40 0.009 2.626 -8.746 1.00 1.38 H new ATOM 0 HE2 PHE A 40 2.382 1.300 -5.461 1.00 1.01 H new ATOM 0 HZ PHE A 40 1.502 0.985 -7.790 1.00 1.36 H new ATOM 271 N ASP A 41 0.102 8.505 -4.250 1.00 0.53 N ATOM 272 CA ASP A 41 -0.508 9.642 -3.572 1.00 0.58 C ATOM 273 C ASP A 41 -0.878 10.709 -4.589 1.00 0.69 C ATOM 274 O ASP A 41 -0.079 11.590 -4.916 1.00 1.27 O ATOM 275 CB ASP A 41 0.403 10.234 -2.493 1.00 0.65 C ATOM 276 CG ASP A 41 -0.256 11.387 -1.749 1.00 0.86 C ATOM 277 OD1 ASP A 41 -1.479 11.598 -1.923 1.00 1.23 O ATOM 278 OD2 ASP A 41 0.439 12.086 -0.979 1.00 1.32 O ATOM 0 H ASP A 41 1.110 8.416 -4.122 1.00 0.53 H new ATOM 0 HA ASP A 41 -1.406 9.282 -3.071 1.00 0.58 H new ATOM 0 HB2 ASP A 41 0.675 9.454 -1.782 1.00 0.65 H new ATOM 0 HB3 ASP A 41 1.328 10.583 -2.953 1.00 0.65 H new ATOM 283 N THR A 42 -2.087 10.601 -5.108 1.00 0.79 N ATOM 284 CA THR A 42 -2.592 11.547 -6.085 1.00 0.92 C ATOM 285 C THR A 42 -3.418 12.631 -5.397 1.00 1.07 C ATOM 286 O THR A 42 -4.053 13.467 -6.047 1.00 1.16 O ATOM 287 CB THR A 42 -3.437 10.832 -7.161 1.00 0.95 C ATOM 288 OG1 THR A 42 -4.407 9.981 -6.542 1.00 1.00 O ATOM 289 CG2 THR A 42 -2.554 10.002 -8.080 1.00 1.08 C ATOM 0 H THR A 42 -2.744 9.859 -4.866 1.00 0.79 H new ATOM 0 HA THR A 42 -1.739 12.014 -6.577 1.00 0.92 H new ATOM 0 HB THR A 42 -3.944 11.594 -7.752 1.00 0.95 H new ATOM 0 HG1 THR A 42 -4.939 9.534 -7.233 1.00 1.00 H new ATOM 0 HG21 THR A 42 -3.172 9.508 -8.830 1.00 1.08 H new ATOM 0 HG22 THR A 42 -1.832 10.652 -8.575 1.00 1.08 H new ATOM 0 HG23 THR A 42 -2.024 9.251 -7.494 1.00 1.08 H new ATOM 297 N ASN A 43 -3.384 12.616 -4.067 1.00 1.32 N ATOM 298 CA ASN A 43 -4.093 13.603 -3.263 1.00 1.61 C ATOM 299 C ASN A 43 -3.113 14.659 -2.775 1.00 1.76 C ATOM 300 O ASN A 43 -3.485 15.812 -2.558 1.00 2.46 O ATOM 301 CB ASN A 43 -4.772 12.942 -2.056 1.00 1.71 C ATOM 302 CG ASN A 43 -5.726 11.825 -2.438 1.00 2.12 C ATOM 303 OD1 ASN A 43 -6.902 12.061 -2.713 1.00 2.53 O ATOM 304 ND2 ASN A 43 -5.224 10.596 -2.436 1.00 2.70 N ATOM 0 H ASN A 43 -2.869 11.925 -3.522 1.00 1.32 H new ATOM 0 HA ASN A 43 -4.861 14.065 -3.883 1.00 1.61 H new ATOM 0 HB2 ASN A 43 -4.006 12.544 -1.391 1.00 1.71 H new ATOM 0 HB3 ASN A 43 -5.318 13.701 -1.495 1.00 1.71 H new ATOM 0 HD21 ASN A 43 -5.820 9.801 -2.669 1.00 2.70 H new ATOM 0 HD22 ASN A 43 -4.243 10.446 -2.202 1.00 2.70 H new ATOM 311 N LYS A 44 -1.859 14.236 -2.623 1.00 1.55 N ATOM 312 CA LYS A 44 -0.782 15.072 -2.098 1.00 1.81 C ATOM 313 C LYS A 44 -1.020 15.357 -0.623 1.00 1.50 C ATOM 314 O LYS A 44 -1.484 16.436 -0.247 1.00 1.91 O ATOM 315 CB LYS A 44 -0.627 16.383 -2.878 1.00 2.48 C ATOM 316 CG LYS A 44 0.617 17.171 -2.484 1.00 3.08 C ATOM 317 CD LYS A 44 0.555 18.612 -2.959 1.00 3.52 C ATOM 318 CE LYS A 44 -0.618 19.350 -2.333 1.00 3.55 C ATOM 319 NZ LYS A 44 -0.630 20.790 -2.696 1.00 3.97 N ATOM 0 H LYS A 44 -1.559 13.291 -2.864 1.00 1.55 H new ATOM 0 HA LYS A 44 0.150 14.519 -2.218 1.00 1.81 H new ATOM 0 HB2 LYS A 44 -0.587 16.161 -3.944 1.00 2.48 H new ATOM 0 HB3 LYS A 44 -1.509 17.002 -2.714 1.00 2.48 H new ATOM 0 HG2 LYS A 44 0.730 17.152 -1.400 1.00 3.08 H new ATOM 0 HG3 LYS A 44 1.499 16.689 -2.905 1.00 3.08 H new ATOM 0 HD2 LYS A 44 1.485 19.121 -2.705 1.00 3.52 H new ATOM 0 HD3 LYS A 44 0.465 18.636 -4.045 1.00 3.52 H new ATOM 0 HE2 LYS A 44 -1.551 18.887 -2.656 1.00 3.55 H new ATOM 0 HE3 LYS A 44 -0.571 19.250 -1.249 1.00 3.55 H new ATOM 0 HZ1 LYS A 44 -1.446 21.254 -2.248 1.00 3.97 H new ATOM 0 HZ2 LYS A 44 0.248 21.239 -2.366 1.00 3.97 H new ATOM 0 HZ3 LYS A 44 -0.701 20.887 -3.729 1.00 3.97 H new ATOM 333 N THR A 45 -0.741 14.366 0.206 1.00 1.26 N ATOM 334 CA THR A 45 -0.928 14.504 1.639 1.00 1.25 C ATOM 335 C THR A 45 -0.054 13.505 2.397 1.00 1.10 C ATOM 336 O THR A 45 -0.030 13.488 3.630 1.00 1.73 O ATOM 337 CB THR A 45 -2.421 14.315 2.015 1.00 1.42 C ATOM 338 OG1 THR A 45 -2.654 14.684 3.382 1.00 1.60 O ATOM 339 CG2 THR A 45 -2.866 12.875 1.791 1.00 1.55 C ATOM 0 H THR A 45 -0.384 13.457 -0.089 1.00 1.26 H new ATOM 0 HA THR A 45 -0.625 15.511 1.927 1.00 1.25 H new ATOM 0 HB THR A 45 -3.006 14.967 1.366 1.00 1.42 H new ATOM 0 HG1 THR A 45 -1.898 14.392 3.933 1.00 1.60 H new ATOM 0 HG21 THR A 45 -3.917 12.772 2.063 1.00 1.55 H new ATOM 0 HG22 THR A 45 -2.736 12.613 0.741 1.00 1.55 H new ATOM 0 HG23 THR A 45 -2.265 12.208 2.409 1.00 1.55 H new ATOM 347 N GLY A 46 0.682 12.682 1.651 1.00 0.82 N ATOM 348 CA GLY A 46 1.527 11.686 2.270 1.00 0.77 C ATOM 349 C GLY A 46 0.718 10.523 2.802 1.00 0.64 C ATOM 350 O GLY A 46 1.079 9.908 3.806 1.00 0.67 O ATOM 0 H GLY A 46 0.705 12.691 0.631 1.00 0.82 H new ATOM 0 HA2 GLY A 46 2.254 11.322 1.544 1.00 0.77 H new ATOM 0 HA3 GLY A 46 2.090 12.141 3.085 1.00 0.77 H new ATOM 354 N SER A 47 -0.393 10.237 2.135 1.00 0.55 N ATOM 355 CA SER A 47 -1.294 9.175 2.554 1.00 0.54 C ATOM 356 C SER A 47 -2.130 8.692 1.371 1.00 0.49 C ATOM 357 O SER A 47 -2.587 9.495 0.559 1.00 0.55 O ATOM 358 CB SER A 47 -2.211 9.675 3.675 1.00 0.68 C ATOM 359 OG SER A 47 -1.462 10.141 4.786 1.00 1.33 O ATOM 0 H SER A 47 -0.692 10.732 1.295 1.00 0.55 H new ATOM 0 HA SER A 47 -0.700 8.340 2.927 1.00 0.54 H new ATOM 0 HB2 SER A 47 -2.844 10.478 3.298 1.00 0.68 H new ATOM 0 HB3 SER A 47 -2.873 8.869 3.992 1.00 0.68 H new ATOM 0 HG SER A 47 -2.074 10.455 5.484 1.00 1.33 H new ATOM 365 N ILE A 48 -2.316 7.380 1.272 1.00 0.45 N ATOM 366 CA ILE A 48 -3.097 6.794 0.188 1.00 0.45 C ATOM 367 C ILE A 48 -4.429 6.281 0.719 1.00 0.47 C ATOM 368 O ILE A 48 -4.483 5.690 1.797 1.00 0.52 O ATOM 369 CB ILE A 48 -2.339 5.629 -0.505 1.00 0.51 C ATOM 370 CG1 ILE A 48 -1.090 6.132 -1.227 1.00 0.67 C ATOM 371 CG2 ILE A 48 -3.235 4.888 -1.484 1.00 1.11 C ATOM 372 CD1 ILE A 48 0.086 6.367 -0.312 1.00 0.74 C ATOM 0 H ILE A 48 -1.936 6.701 1.931 1.00 0.45 H new ATOM 0 HA ILE A 48 -3.267 7.578 -0.550 1.00 0.45 H new ATOM 0 HB ILE A 48 -2.035 4.936 0.280 1.00 0.51 H new ATOM 0 HG12 ILE A 48 -0.806 5.408 -1.990 1.00 0.67 H new ATOM 0 HG13 ILE A 48 -1.329 7.062 -1.743 1.00 0.67 H new ATOM 0 HG21 ILE A 48 -2.673 4.079 -1.951 1.00 1.11 H new ATOM 0 HG22 ILE A 48 -4.092 4.474 -0.952 1.00 1.11 H new ATOM 0 HG23 ILE A 48 -3.584 5.578 -2.252 1.00 1.11 H new ATOM 0 HD11 ILE A 48 0.935 6.723 -0.895 1.00 0.74 H new ATOM 0 HD12 ILE A 48 -0.179 7.114 0.436 1.00 0.74 H new ATOM 0 HD13 ILE A 48 0.352 5.434 0.185 1.00 0.74 H new ATOM 384 N ASP A 49 -5.488 6.492 -0.047 1.00 0.50 N ATOM 385 CA ASP A 49 -6.828 6.071 0.342 1.00 0.57 C ATOM 386 C ASP A 49 -7.178 4.794 -0.413 1.00 0.54 C ATOM 387 O ASP A 49 -6.496 4.445 -1.375 1.00 0.51 O ATOM 388 CB ASP A 49 -7.830 7.187 -0.002 1.00 0.71 C ATOM 389 CG ASP A 49 -9.258 6.896 0.423 1.00 0.87 C ATOM 390 OD1 ASP A 49 -9.980 6.217 -0.330 1.00 0.87 O ATOM 391 OD2 ASP A 49 -9.656 7.321 1.529 1.00 1.51 O ATOM 0 H ASP A 49 -5.445 6.958 -0.953 1.00 0.50 H new ATOM 0 HA ASP A 49 -6.870 5.879 1.414 1.00 0.57 H new ATOM 0 HB2 ASP A 49 -7.503 8.112 0.473 1.00 0.71 H new ATOM 0 HB3 ASP A 49 -7.811 7.357 -1.078 1.00 0.71 H new ATOM 396 N TYR A 50 -8.221 4.088 0.012 1.00 0.63 N ATOM 397 CA TYR A 50 -8.642 2.879 -0.690 1.00 0.68 C ATOM 398 C TYR A 50 -9.085 3.217 -2.114 1.00 0.67 C ATOM 399 O TYR A 50 -9.135 2.348 -2.987 1.00 0.75 O ATOM 400 CB TYR A 50 -9.746 2.135 0.072 1.00 0.88 C ATOM 401 CG TYR A 50 -10.922 2.990 0.491 1.00 1.36 C ATOM 402 CD1 TYR A 50 -11.941 3.286 -0.407 1.00 1.73 C ATOM 403 CD2 TYR A 50 -11.008 3.508 1.775 1.00 1.76 C ATOM 404 CE1 TYR A 50 -13.010 4.072 -0.034 1.00 2.37 C ATOM 405 CE2 TYR A 50 -12.078 4.295 2.154 1.00 2.45 C ATOM 406 CZ TYR A 50 -13.087 4.545 1.271 1.00 2.72 C ATOM 407 OH TYR A 50 -14.142 5.359 1.622 1.00 3.44 O ATOM 0 H TYR A 50 -8.784 4.327 0.828 1.00 0.63 H new ATOM 0 HA TYR A 50 -7.785 2.208 -0.745 1.00 0.68 H new ATOM 0 HB2 TYR A 50 -10.113 1.321 -0.553 1.00 0.88 H new ATOM 0 HB3 TYR A 50 -9.310 1.682 0.962 1.00 0.88 H new ATOM 0 HD1 TYR A 50 -11.894 2.894 -1.412 1.00 1.73 H new ATOM 0 HD2 TYR A 50 -10.227 3.293 2.489 1.00 1.76 H new ATOM 0 HE1 TYR A 50 -13.781 4.318 -0.749 1.00 2.37 H new ATOM 0 HE2 TYR A 50 -12.116 4.712 3.149 1.00 2.45 H new ATOM 0 HH TYR A 50 -14.062 5.610 2.566 1.00 3.44 H new ATOM 417 N HIS A 51 -9.396 4.491 -2.334 1.00 0.68 N ATOM 418 CA HIS A 51 -9.658 5.004 -3.668 1.00 0.81 C ATOM 419 C HIS A 51 -8.445 4.745 -4.568 1.00 0.70 C ATOM 420 O HIS A 51 -8.576 4.170 -5.652 1.00 0.73 O ATOM 421 CB HIS A 51 -9.964 6.508 -3.585 1.00 1.08 C ATOM 422 CG HIS A 51 -10.440 7.114 -4.867 1.00 1.40 C ATOM 423 ND1 HIS A 51 -9.647 7.909 -5.661 1.00 2.17 N ATOM 424 CD2 HIS A 51 -11.647 7.068 -5.478 1.00 1.97 C ATOM 425 CE1 HIS A 51 -10.338 8.326 -6.700 1.00 2.73 C ATOM 426 NE2 HIS A 51 -11.556 7.828 -6.616 1.00 2.56 N ATOM 0 H HIS A 51 -9.472 5.190 -1.595 1.00 0.68 H new ATOM 0 HA HIS A 51 -10.521 4.495 -4.097 1.00 0.81 H new ATOM 0 HB2 HIS A 51 -10.721 6.670 -2.818 1.00 1.08 H new ATOM 0 HB3 HIS A 51 -9.065 7.032 -3.262 1.00 1.08 H new ATOM 0 HD1 HIS A 51 -8.671 8.140 -5.473 1.00 2.17 H new ATOM 0 HD2 HIS A 51 -12.519 6.532 -5.133 1.00 1.97 H new ATOM 0 HE1 HIS A 51 -9.970 8.967 -7.488 1.00 2.73 H new ATOM 435 N GLU A 52 -7.267 5.137 -4.089 1.00 0.68 N ATOM 436 CA GLU A 52 -6.013 4.918 -4.813 1.00 0.69 C ATOM 437 C GLU A 52 -5.525 3.483 -4.647 1.00 0.55 C ATOM 438 O GLU A 52 -4.864 2.940 -5.533 1.00 0.56 O ATOM 439 CB GLU A 52 -4.909 5.860 -4.312 1.00 0.92 C ATOM 440 CG GLU A 52 -5.038 7.305 -4.762 1.00 0.72 C ATOM 441 CD GLU A 52 -6.315 7.958 -4.293 1.00 0.85 C ATOM 442 OE1 GLU A 52 -6.460 8.173 -3.074 1.00 1.19 O ATOM 443 OE2 GLU A 52 -7.179 8.248 -5.146 1.00 1.21 O ATOM 0 H GLU A 52 -7.152 5.613 -3.194 1.00 0.68 H new ATOM 0 HA GLU A 52 -6.220 5.119 -5.864 1.00 0.69 H new ATOM 0 HB2 GLU A 52 -4.899 5.835 -3.222 1.00 0.92 H new ATOM 0 HB3 GLU A 52 -3.946 5.476 -4.648 1.00 0.92 H new ATOM 0 HG2 GLU A 52 -4.187 7.874 -4.387 1.00 0.72 H new ATOM 0 HG3 GLU A 52 -4.994 7.346 -5.850 1.00 0.72 H new ATOM 450 N LEU A 53 -5.857 2.874 -3.512 1.00 0.51 N ATOM 451 CA LEU A 53 -5.340 1.558 -3.154 1.00 0.48 C ATOM 452 C LEU A 53 -5.656 0.534 -4.236 1.00 0.42 C ATOM 453 O LEU A 53 -4.837 -0.329 -4.522 1.00 0.44 O ATOM 454 CB LEU A 53 -5.921 1.088 -1.815 1.00 0.55 C ATOM 455 CG LEU A 53 -4.938 0.382 -0.867 1.00 0.59 C ATOM 456 CD1 LEU A 53 -4.263 -0.803 -1.540 1.00 1.23 C ATOM 457 CD2 LEU A 53 -3.901 1.365 -0.352 1.00 1.41 C ATOM 0 H LEU A 53 -6.488 3.276 -2.819 1.00 0.51 H new ATOM 0 HA LEU A 53 -4.258 1.646 -3.059 1.00 0.48 H new ATOM 0 HB2 LEU A 53 -6.337 1.953 -1.298 1.00 0.55 H new ATOM 0 HB3 LEU A 53 -6.750 0.410 -2.019 1.00 0.55 H new ATOM 0 HG LEU A 53 -5.510 -0.002 -0.022 1.00 0.59 H new ATOM 0 HD11 LEU A 53 -3.576 -1.277 -0.839 1.00 1.23 H new ATOM 0 HD12 LEU A 53 -5.019 -1.524 -1.850 1.00 1.23 H new ATOM 0 HD13 LEU A 53 -3.710 -0.459 -2.414 1.00 1.23 H new ATOM 0 HD21 LEU A 53 -3.212 0.850 0.318 1.00 1.41 H new ATOM 0 HD22 LEU A 53 -3.346 1.782 -1.192 1.00 1.41 H new ATOM 0 HD23 LEU A 53 -4.399 2.170 0.189 1.00 1.41 H new ATOM 469 N LYS A 54 -6.830 0.638 -4.852 1.00 0.44 N ATOM 470 CA LYS A 54 -7.230 -0.322 -5.883 1.00 0.47 C ATOM 471 C LYS A 54 -6.245 -0.312 -7.049 1.00 0.45 C ATOM 472 O LYS A 54 -6.039 -1.327 -7.708 1.00 0.55 O ATOM 473 CB LYS A 54 -8.642 -0.023 -6.393 1.00 0.59 C ATOM 474 CG LYS A 54 -9.680 0.113 -5.292 1.00 1.36 C ATOM 475 CD LYS A 54 -11.089 0.240 -5.856 1.00 1.61 C ATOM 476 CE LYS A 54 -11.210 1.384 -6.854 1.00 1.79 C ATOM 477 NZ LYS A 54 -10.937 2.710 -6.236 1.00 2.47 N ATOM 0 H LYS A 54 -7.516 1.368 -4.660 1.00 0.44 H new ATOM 0 HA LYS A 54 -7.225 -1.313 -5.429 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -8.620 0.899 -6.974 1.00 0.59 H new ATOM 0 HB3 LYS A 54 -8.949 -0.819 -7.071 1.00 0.59 H new ATOM 0 HG2 LYS A 54 -9.628 -0.755 -4.635 1.00 1.36 H new ATOM 0 HG3 LYS A 54 -9.452 0.988 -4.683 1.00 1.36 H new ATOM 0 HD2 LYS A 54 -11.369 -0.695 -6.342 1.00 1.61 H new ATOM 0 HD3 LYS A 54 -11.793 0.398 -5.039 1.00 1.61 H new ATOM 0 HE2 LYS A 54 -10.514 1.220 -7.676 1.00 1.79 H new ATOM 0 HE3 LYS A 54 -12.213 1.385 -7.281 1.00 1.79 H new ATOM 0 HZ1 LYS A 54 -11.391 3.456 -6.801 1.00 2.47 H new ATOM 0 HZ2 LYS A 54 -11.318 2.727 -5.269 1.00 2.47 H new ATOM 0 HZ3 LYS A 54 -9.911 2.874 -6.206 1.00 2.47 H new ATOM 491 N VAL A 55 -5.635 0.840 -7.293 1.00 0.44 N ATOM 492 CA VAL A 55 -4.604 0.959 -8.311 1.00 0.48 C ATOM 493 C VAL A 55 -3.256 0.551 -7.725 1.00 0.46 C ATOM 494 O VAL A 55 -2.456 -0.120 -8.378 1.00 0.50 O ATOM 495 CB VAL A 55 -4.512 2.402 -8.857 1.00 0.60 C ATOM 496 CG1 VAL A 55 -3.464 2.504 -9.957 1.00 1.21 C ATOM 497 CG2 VAL A 55 -5.869 2.870 -9.369 1.00 1.16 C ATOM 0 H VAL A 55 -5.838 1.708 -6.797 1.00 0.44 H new ATOM 0 HA VAL A 55 -4.868 0.299 -9.137 1.00 0.48 H new ATOM 0 HB VAL A 55 -4.208 3.053 -8.037 1.00 0.60 H new ATOM 0 HG11 VAL A 55 -3.420 3.530 -10.323 1.00 1.21 H new ATOM 0 HG12 VAL A 55 -2.490 2.218 -9.559 1.00 1.21 H new ATOM 0 HG13 VAL A 55 -3.731 1.837 -10.777 1.00 1.21 H new ATOM 0 HG21 VAL A 55 -5.783 3.888 -9.749 1.00 1.16 H new ATOM 0 HG22 VAL A 55 -6.203 2.210 -10.170 1.00 1.16 H new ATOM 0 HG23 VAL A 55 -6.593 2.847 -8.554 1.00 1.16 H new ATOM 507 N ALA A 56 -3.031 0.950 -6.478 1.00 0.46 N ATOM 508 CA ALA A 56 -1.797 0.639 -5.770 1.00 0.51 C ATOM 509 C ALA A 56 -1.587 -0.869 -5.654 1.00 0.49 C ATOM 510 O ALA A 56 -0.576 -1.397 -6.114 1.00 0.58 O ATOM 511 CB ALA A 56 -1.812 1.282 -4.389 1.00 0.55 C ATOM 0 H ALA A 56 -3.697 1.496 -5.932 1.00 0.46 H new ATOM 0 HA ALA A 56 -0.965 1.046 -6.344 1.00 0.51 H new ATOM 0 HB1 ALA A 56 -0.885 1.044 -3.867 1.00 0.55 H new ATOM 0 HB2 ALA A 56 -1.903 2.363 -4.492 1.00 0.55 H new ATOM 0 HB3 ALA A 56 -2.658 0.899 -3.819 1.00 0.55 H new ATOM 517 N MET A 57 -2.557 -1.560 -5.056 1.00 0.44 N ATOM 518 CA MET A 57 -2.457 -3.003 -4.863 1.00 0.49 C ATOM 519 C MET A 57 -2.401 -3.735 -6.194 1.00 0.48 C ATOM 520 O MET A 57 -1.799 -4.806 -6.302 1.00 0.55 O ATOM 521 CB MET A 57 -3.611 -3.533 -3.997 1.00 0.59 C ATOM 522 CG MET A 57 -5.017 -3.271 -4.526 1.00 0.70 C ATOM 523 SD MET A 57 -5.471 -4.320 -5.924 1.00 1.75 S ATOM 524 CE MET A 57 -5.102 -5.939 -5.262 1.00 1.48 C ATOM 0 H MET A 57 -3.417 -1.144 -4.699 1.00 0.44 H new ATOM 0 HA MET A 57 -1.524 -3.197 -4.333 1.00 0.49 H new ATOM 0 HB2 MET A 57 -3.484 -4.609 -3.876 1.00 0.59 H new ATOM 0 HB3 MET A 57 -3.529 -3.089 -3.005 1.00 0.59 H new ATOM 0 HG2 MET A 57 -5.734 -3.425 -3.719 1.00 0.70 H new ATOM 0 HG3 MET A 57 -5.094 -2.226 -4.827 1.00 0.70 H new ATOM 0 HE1 MET A 57 -5.720 -6.686 -5.761 1.00 1.48 H new ATOM 0 HE2 MET A 57 -4.050 -6.169 -5.428 1.00 1.48 H new ATOM 0 HE3 MET A 57 -5.311 -5.951 -4.192 1.00 1.48 H new ATOM 534 N ARG A 58 -3.031 -3.149 -7.200 1.00 0.48 N ATOM 535 CA ARG A 58 -3.020 -3.706 -8.543 1.00 0.55 C ATOM 536 C ARG A 58 -1.605 -3.693 -9.102 1.00 0.59 C ATOM 537 O ARG A 58 -1.098 -4.721 -9.547 1.00 0.68 O ATOM 538 CB ARG A 58 -3.951 -2.909 -9.456 1.00 0.68 C ATOM 539 CG ARG A 58 -4.062 -3.468 -10.865 1.00 1.10 C ATOM 540 CD ARG A 58 -4.946 -2.590 -11.736 1.00 1.25 C ATOM 541 NE ARG A 58 -6.304 -2.485 -11.208 1.00 1.66 N ATOM 542 CZ ARG A 58 -6.998 -1.352 -11.137 1.00 2.15 C ATOM 543 NH1 ARG A 58 -6.463 -0.207 -11.554 1.00 2.27 N ATOM 544 NH2 ARG A 58 -8.232 -1.372 -10.653 1.00 2.97 N ATOM 0 H ARG A 58 -3.560 -2.281 -7.110 1.00 0.48 H new ATOM 0 HA ARG A 58 -3.373 -4.736 -8.497 1.00 0.55 H new ATOM 0 HB2 ARG A 58 -4.944 -2.880 -9.008 1.00 0.68 H new ATOM 0 HB3 ARG A 58 -3.596 -1.880 -9.511 1.00 0.68 H new ATOM 0 HG2 ARG A 58 -3.069 -3.543 -11.309 1.00 1.10 H new ATOM 0 HG3 ARG A 58 -4.471 -4.477 -10.828 1.00 1.10 H new ATOM 0 HD2 ARG A 58 -4.508 -1.595 -11.810 1.00 1.25 H new ATOM 0 HD3 ARG A 58 -4.980 -2.999 -12.746 1.00 1.25 H new ATOM 0 HE ARG A 58 -6.750 -3.338 -10.871 1.00 1.66 H new ATOM 0 HH11 ARG A 58 -5.515 -0.194 -11.931 1.00 2.27 H new ATOM 0 HH12 ARG A 58 -7.001 0.658 -11.497 1.00 2.27 H new ATOM 0 HH21 ARG A 58 -8.642 -2.251 -10.339 1.00 2.97 H new ATOM 0 HH22 ARG A 58 -8.771 -0.508 -10.595 1.00 2.97 H new ATOM 558 N ALA A 59 -0.967 -2.527 -9.045 1.00 0.60 N ATOM 559 CA ALA A 59 0.396 -2.371 -9.542 1.00 0.72 C ATOM 560 C ALA A 59 1.364 -3.262 -8.766 1.00 0.73 C ATOM 561 O ALA A 59 2.327 -3.783 -9.331 1.00 0.84 O ATOM 562 CB ALA A 59 0.823 -0.915 -9.451 1.00 0.81 C ATOM 0 H ALA A 59 -1.374 -1.675 -8.659 1.00 0.60 H new ATOM 0 HA ALA A 59 0.418 -2.679 -10.587 1.00 0.72 H new ATOM 0 HB1 ALA A 59 1.842 -0.811 -9.825 1.00 0.81 H new ATOM 0 HB2 ALA A 59 0.152 -0.301 -10.051 1.00 0.81 H new ATOM 0 HB3 ALA A 59 0.782 -0.588 -8.412 1.00 0.81 H new ATOM 568 N LEU A 60 1.102 -3.431 -7.473 1.00 0.68 N ATOM 569 CA LEU A 60 1.900 -4.322 -6.639 1.00 0.78 C ATOM 570 C LEU A 60 1.717 -5.761 -7.086 1.00 0.78 C ATOM 571 O LEU A 60 2.688 -6.498 -7.262 1.00 0.96 O ATOM 572 CB LEU A 60 1.493 -4.197 -5.177 1.00 0.80 C ATOM 573 CG LEU A 60 1.598 -2.799 -4.580 1.00 0.95 C ATOM 574 CD1 LEU A 60 1.018 -2.798 -3.183 1.00 1.82 C ATOM 575 CD2 LEU A 60 3.043 -2.327 -4.565 1.00 1.32 C ATOM 0 H LEU A 60 0.342 -2.962 -6.980 1.00 0.68 H new ATOM 0 HA LEU A 60 2.947 -4.037 -6.744 1.00 0.78 H new ATOM 0 HB2 LEU A 60 0.463 -4.539 -5.075 1.00 0.80 H new ATOM 0 HB3 LEU A 60 2.113 -4.872 -4.587 1.00 0.80 H new ATOM 0 HG LEU A 60 1.029 -2.106 -5.199 1.00 0.95 H new ATOM 0 HD11 LEU A 60 1.094 -1.797 -2.758 1.00 1.82 H new ATOM 0 HD12 LEU A 60 -0.030 -3.096 -3.224 1.00 1.82 H new ATOM 0 HD13 LEU A 60 1.571 -3.500 -2.559 1.00 1.82 H new ATOM 0 HD21 LEU A 60 3.095 -1.327 -4.135 1.00 1.32 H new ATOM 0 HD22 LEU A 60 3.643 -3.011 -3.965 1.00 1.32 H new ATOM 0 HD23 LEU A 60 3.429 -2.304 -5.584 1.00 1.32 H new ATOM 587 N GLY A 61 0.465 -6.155 -7.264 1.00 0.68 N ATOM 588 CA GLY A 61 0.176 -7.465 -7.783 1.00 0.72 C ATOM 589 C GLY A 61 -0.392 -8.418 -6.751 1.00 0.75 C ATOM 590 O GLY A 61 0.288 -9.349 -6.317 1.00 0.96 O ATOM 0 H GLY A 61 -0.355 -5.585 -7.056 1.00 0.68 H new ATOM 0 HA2 GLY A 61 -0.532 -7.372 -8.607 1.00 0.72 H new ATOM 0 HA3 GLY A 61 1.090 -7.893 -8.195 1.00 0.72 H new ATOM 594 N PHE A 62 -1.634 -8.183 -6.346 1.00 0.72 N ATOM 595 CA PHE A 62 -2.345 -9.120 -5.482 1.00 0.80 C ATOM 596 C PHE A 62 -3.640 -9.554 -6.148 1.00 0.89 C ATOM 597 O PHE A 62 -3.957 -9.117 -7.254 1.00 1.01 O ATOM 598 CB PHE A 62 -2.691 -8.504 -4.120 1.00 0.78 C ATOM 599 CG PHE A 62 -1.555 -7.832 -3.421 1.00 0.80 C ATOM 600 CD1 PHE A 62 -0.503 -8.567 -2.901 1.00 0.97 C ATOM 601 CD2 PHE A 62 -1.548 -6.459 -3.274 1.00 0.80 C ATOM 602 CE1 PHE A 62 0.536 -7.940 -2.246 1.00 1.08 C ATOM 603 CE2 PHE A 62 -0.515 -5.826 -2.620 1.00 0.91 C ATOM 604 CZ PHE A 62 0.532 -6.567 -2.106 1.00 1.03 C ATOM 0 H PHE A 62 -2.170 -7.353 -6.601 1.00 0.72 H new ATOM 0 HA PHE A 62 -1.682 -9.970 -5.322 1.00 0.80 H new ATOM 0 HB2 PHE A 62 -3.492 -7.778 -4.260 1.00 0.78 H new ATOM 0 HB3 PHE A 62 -3.082 -9.289 -3.473 1.00 0.78 H new ATOM 0 HD1 PHE A 62 -0.496 -9.642 -3.009 1.00 0.97 H new ATOM 0 HD2 PHE A 62 -2.362 -5.875 -3.677 1.00 0.80 H new ATOM 0 HE1 PHE A 62 1.351 -8.522 -1.843 1.00 1.08 H new ATOM 0 HE2 PHE A 62 -0.523 -4.752 -2.509 1.00 0.91 H new ATOM 0 HZ PHE A 62 1.345 -6.073 -1.596 1.00 1.03 H new ATOM 614 N ASP A 63 -4.388 -10.397 -5.461 1.00 1.21 N ATOM 615 CA ASP A 63 -5.710 -10.805 -5.918 1.00 1.42 C ATOM 616 C ASP A 63 -6.638 -10.915 -4.715 1.00 1.36 C ATOM 617 O ASP A 63 -6.680 -11.944 -4.037 1.00 1.98 O ATOM 618 CB ASP A 63 -5.639 -12.135 -6.676 1.00 1.81 C ATOM 619 CG ASP A 63 -6.978 -12.544 -7.241 1.00 2.36 C ATOM 620 OD1 ASP A 63 -7.614 -11.722 -7.938 1.00 2.85 O ATOM 621 OD2 ASP A 63 -7.408 -13.690 -6.995 1.00 2.74 O ATOM 0 H ASP A 63 -4.102 -10.817 -4.577 1.00 1.21 H new ATOM 0 HA ASP A 63 -6.100 -10.057 -6.608 1.00 1.42 H new ATOM 0 HB2 ASP A 63 -4.915 -12.050 -7.487 1.00 1.81 H new ATOM 0 HB3 ASP A 63 -5.277 -12.914 -6.005 1.00 1.81 H new ATOM 626 N VAL A 64 -7.364 -9.838 -4.444 1.00 0.90 N ATOM 627 CA VAL A 64 -8.073 -9.693 -3.175 1.00 0.93 C ATOM 628 C VAL A 64 -9.583 -9.536 -3.347 1.00 0.86 C ATOM 629 O VAL A 64 -10.330 -9.641 -2.375 1.00 0.95 O ATOM 630 CB VAL A 64 -7.551 -8.467 -2.409 1.00 1.16 C ATOM 631 CG1 VAL A 64 -6.077 -8.626 -2.058 1.00 1.35 C ATOM 632 CG2 VAL A 64 -7.774 -7.215 -3.235 1.00 1.33 C ATOM 0 H VAL A 64 -7.479 -9.052 -5.084 1.00 0.90 H new ATOM 0 HA VAL A 64 -7.885 -10.613 -2.621 1.00 0.93 H new ATOM 0 HB VAL A 64 -8.104 -8.379 -1.474 1.00 1.16 H new ATOM 0 HG11 VAL A 64 -5.735 -7.744 -1.517 1.00 1.35 H new ATOM 0 HG12 VAL A 64 -5.945 -9.509 -1.433 1.00 1.35 H new ATOM 0 HG13 VAL A 64 -5.495 -8.739 -2.973 1.00 1.35 H new ATOM 0 HG21 VAL A 64 -7.403 -6.348 -2.689 1.00 1.33 H new ATOM 0 HG22 VAL A 64 -7.240 -7.304 -4.181 1.00 1.33 H new ATOM 0 HG23 VAL A 64 -8.839 -7.092 -3.429 1.00 1.33 H new ATOM 642 N LYS A 65 -10.026 -9.271 -4.575 1.00 0.88 N ATOM 643 CA LYS A 65 -11.439 -9.008 -4.850 1.00 0.94 C ATOM 644 C LYS A 65 -11.886 -7.718 -4.162 1.00 0.80 C ATOM 645 O LYS A 65 -11.064 -6.942 -3.678 1.00 0.74 O ATOM 646 CB LYS A 65 -12.338 -10.166 -4.388 1.00 1.18 C ATOM 647 CG LYS A 65 -12.341 -11.393 -5.289 1.00 1.54 C ATOM 648 CD LYS A 65 -11.204 -12.351 -4.978 1.00 1.58 C ATOM 649 CE LYS A 65 -9.962 -12.035 -5.788 1.00 1.75 C ATOM 650 NZ LYS A 65 -10.154 -12.305 -7.237 1.00 2.52 N ATOM 0 H LYS A 65 -9.425 -9.233 -5.398 1.00 0.88 H new ATOM 0 HA LYS A 65 -11.541 -8.905 -5.930 1.00 0.94 H new ATOM 0 HB2 LYS A 65 -12.024 -10.471 -3.390 1.00 1.18 H new ATOM 0 HB3 LYS A 65 -13.360 -9.797 -4.302 1.00 1.18 H new ATOM 0 HG2 LYS A 65 -13.291 -11.916 -5.181 1.00 1.54 H new ATOM 0 HG3 LYS A 65 -12.269 -11.075 -6.329 1.00 1.54 H new ATOM 0 HD2 LYS A 65 -10.967 -12.301 -3.915 1.00 1.58 H new ATOM 0 HD3 LYS A 65 -11.523 -13.373 -5.185 1.00 1.58 H new ATOM 0 HE2 LYS A 65 -9.695 -10.988 -5.647 1.00 1.75 H new ATOM 0 HE3 LYS A 65 -9.127 -12.629 -5.417 1.00 1.75 H new ATOM 0 HZ1 LYS A 65 -9.358 -11.905 -7.773 1.00 2.52 H new ATOM 0 HZ2 LYS A 65 -10.198 -13.332 -7.396 1.00 2.52 H new ATOM 0 HZ3 LYS A 65 -11.041 -11.867 -7.557 1.00 2.52 H new ATOM 664 N LYS A 66 -13.194 -7.502 -4.128 1.00 0.87 N ATOM 665 CA LYS A 66 -13.774 -6.315 -3.504 1.00 0.86 C ATOM 666 C LYS A 66 -13.693 -6.349 -1.967 1.00 0.77 C ATOM 667 O LYS A 66 -13.198 -5.400 -1.367 1.00 0.71 O ATOM 668 CB LYS A 66 -15.229 -6.145 -3.950 1.00 1.09 C ATOM 669 CG LYS A 66 -15.374 -5.759 -5.412 1.00 1.44 C ATOM 670 CD LYS A 66 -16.805 -5.931 -5.893 1.00 1.88 C ATOM 671 CE LYS A 66 -17.789 -5.139 -5.049 1.00 2.34 C ATOM 672 NZ LYS A 66 -19.193 -5.422 -5.436 1.00 2.94 N ATOM 0 H LYS A 66 -13.882 -8.139 -4.529 1.00 0.87 H new ATOM 0 HA LYS A 66 -13.183 -5.461 -3.835 1.00 0.86 H new ATOM 0 HB2 LYS A 66 -15.766 -7.077 -3.774 1.00 1.09 H new ATOM 0 HB3 LYS A 66 -15.703 -5.382 -3.332 1.00 1.09 H new ATOM 0 HG2 LYS A 66 -15.065 -4.723 -5.548 1.00 1.44 H new ATOM 0 HG3 LYS A 66 -14.708 -6.372 -6.019 1.00 1.44 H new ATOM 0 HD2 LYS A 66 -16.879 -5.611 -6.932 1.00 1.88 H new ATOM 0 HD3 LYS A 66 -17.072 -6.987 -5.865 1.00 1.88 H new ATOM 0 HE2 LYS A 66 -17.645 -5.383 -3.996 1.00 2.34 H new ATOM 0 HE3 LYS A 66 -17.588 -4.073 -5.159 1.00 2.34 H new ATOM 0 HZ1 LYS A 66 -19.837 -4.864 -4.839 1.00 2.94 H new ATOM 0 HZ2 LYS A 66 -19.336 -5.166 -6.434 1.00 2.94 H new ATOM 0 HZ3 LYS A 66 -19.391 -6.435 -5.307 1.00 2.94 H new ATOM 686 N PRO A 67 -14.164 -7.427 -1.297 1.00 0.88 N ATOM 687 CA PRO A 67 -14.254 -7.454 0.173 1.00 0.94 C ATOM 688 C PRO A 67 -12.899 -7.299 0.859 1.00 0.86 C ATOM 689 O PRO A 67 -12.779 -6.629 1.894 1.00 0.89 O ATOM 690 CB PRO A 67 -14.850 -8.836 0.480 1.00 1.14 C ATOM 691 CG PRO A 67 -15.485 -9.274 -0.793 1.00 1.21 C ATOM 692 CD PRO A 67 -14.634 -8.694 -1.884 1.00 1.05 C ATOM 0 HA PRO A 67 -14.852 -6.622 0.545 1.00 0.94 H new ATOM 0 HB2 PRO A 67 -14.078 -9.537 0.797 1.00 1.14 H new ATOM 0 HB3 PRO A 67 -15.581 -8.780 1.287 1.00 1.14 H new ATOM 0 HG2 PRO A 67 -15.522 -10.361 -0.860 1.00 1.21 H new ATOM 0 HG3 PRO A 67 -16.512 -8.915 -0.863 1.00 1.21 H new ATOM 0 HD2 PRO A 67 -13.804 -9.352 -2.142 1.00 1.05 H new ATOM 0 HD3 PRO A 67 -15.205 -8.529 -2.797 1.00 1.05 H new ATOM 700 N GLU A 68 -11.873 -7.900 0.288 1.00 0.82 N ATOM 701 CA GLU A 68 -10.569 -7.883 0.914 1.00 0.81 C ATOM 702 C GLU A 68 -9.759 -6.654 0.498 1.00 0.68 C ATOM 703 O GLU A 68 -8.814 -6.283 1.179 1.00 0.72 O ATOM 704 CB GLU A 68 -9.810 -9.175 0.594 1.00 0.91 C ATOM 705 CG GLU A 68 -8.471 -9.290 1.298 1.00 1.63 C ATOM 706 CD GLU A 68 -7.831 -10.649 1.119 1.00 1.76 C ATOM 707 OE1 GLU A 68 -7.300 -10.927 0.026 1.00 2.38 O ATOM 708 OE2 GLU A 68 -7.862 -11.455 2.074 1.00 1.77 O ATOM 0 H GLU A 68 -11.917 -8.401 -0.599 1.00 0.82 H new ATOM 0 HA GLU A 68 -10.715 -7.822 1.992 1.00 0.81 H new ATOM 0 HB2 GLU A 68 -10.430 -10.028 0.871 1.00 0.91 H new ATOM 0 HB3 GLU A 68 -9.650 -9.234 -0.483 1.00 0.91 H new ATOM 0 HG2 GLU A 68 -7.797 -8.523 0.916 1.00 1.63 H new ATOM 0 HG3 GLU A 68 -8.607 -9.094 2.362 1.00 1.63 H new ATOM 715 N ILE A 69 -10.142 -5.989 -0.590 1.00 0.65 N ATOM 716 CA ILE A 69 -9.333 -4.880 -1.098 1.00 0.63 C ATOM 717 C ILE A 69 -9.437 -3.649 -0.201 1.00 0.58 C ATOM 718 O ILE A 69 -8.421 -3.036 0.145 1.00 0.61 O ATOM 719 CB ILE A 69 -9.680 -4.531 -2.569 1.00 0.72 C ATOM 720 CG1 ILE A 69 -8.576 -3.683 -3.197 1.00 0.76 C ATOM 721 CG2 ILE A 69 -11.020 -3.816 -2.688 1.00 1.23 C ATOM 722 CD1 ILE A 69 -8.688 -3.594 -4.700 1.00 0.95 C ATOM 0 H ILE A 69 -10.986 -6.190 -1.127 1.00 0.65 H new ATOM 0 HA ILE A 69 -8.296 -5.216 -1.081 1.00 0.63 H new ATOM 0 HB ILE A 69 -9.759 -5.474 -3.110 1.00 0.72 H new ATOM 0 HG12 ILE A 69 -8.611 -2.679 -2.775 1.00 0.76 H new ATOM 0 HG13 ILE A 69 -7.606 -4.105 -2.934 1.00 0.76 H new ATOM 0 HG21 ILE A 69 -11.221 -3.592 -3.736 1.00 1.23 H new ATOM 0 HG22 ILE A 69 -11.810 -4.456 -2.296 1.00 1.23 H new ATOM 0 HG23 ILE A 69 -10.989 -2.888 -2.118 1.00 1.23 H new ATOM 0 HD11 ILE A 69 -7.877 -2.979 -5.090 1.00 0.95 H new ATOM 0 HD12 ILE A 69 -8.624 -4.594 -5.129 1.00 0.95 H new ATOM 0 HD13 ILE A 69 -9.644 -3.145 -4.968 1.00 0.95 H new ATOM 734 N LEU A 70 -10.645 -3.300 0.214 1.00 0.60 N ATOM 735 CA LEU A 70 -10.811 -2.148 1.078 1.00 0.63 C ATOM 736 C LEU A 70 -10.376 -2.502 2.492 1.00 0.63 C ATOM 737 O LEU A 70 -9.788 -1.675 3.181 1.00 0.68 O ATOM 738 CB LEU A 70 -12.251 -1.569 1.036 1.00 0.77 C ATOM 739 CG LEU A 70 -13.390 -2.356 1.722 1.00 0.82 C ATOM 740 CD1 LEU A 70 -13.416 -3.802 1.276 1.00 1.13 C ATOM 741 CD2 LEU A 70 -13.303 -2.257 3.240 1.00 1.08 C ATOM 0 H LEU A 70 -11.507 -3.788 -0.029 1.00 0.60 H new ATOM 0 HA LEU A 70 -10.169 -1.350 0.705 1.00 0.63 H new ATOM 0 HB2 LEU A 70 -12.220 -0.575 1.483 1.00 0.77 H new ATOM 0 HB3 LEU A 70 -12.524 -1.439 -0.011 1.00 0.77 H new ATOM 0 HG LEU A 70 -14.328 -1.896 1.411 1.00 0.82 H new ATOM 0 HD11 LEU A 70 -14.230 -4.323 1.780 1.00 1.13 H new ATOM 0 HD12 LEU A 70 -13.568 -3.847 0.198 1.00 1.13 H new ATOM 0 HD13 LEU A 70 -12.469 -4.278 1.529 1.00 1.13 H new ATOM 0 HD21 LEU A 70 -14.120 -2.822 3.689 1.00 1.08 H new ATOM 0 HD22 LEU A 70 -12.350 -2.666 3.577 1.00 1.08 H new ATOM 0 HD23 LEU A 70 -13.377 -1.212 3.541 1.00 1.08 H new ATOM 753 N GLU A 71 -10.635 -3.743 2.914 1.00 0.64 N ATOM 754 CA GLU A 71 -10.255 -4.167 4.251 1.00 0.70 C ATOM 755 C GLU A 71 -8.746 -4.302 4.340 1.00 0.65 C ATOM 756 O GLU A 71 -8.156 -4.119 5.401 1.00 0.70 O ATOM 757 CB GLU A 71 -10.930 -5.485 4.626 1.00 0.85 C ATOM 758 CG GLU A 71 -10.653 -5.915 6.059 1.00 1.17 C ATOM 759 CD GLU A 71 -11.055 -4.857 7.072 1.00 1.22 C ATOM 760 OE1 GLU A 71 -12.245 -4.827 7.462 1.00 1.66 O ATOM 761 OE2 GLU A 71 -10.192 -4.053 7.483 1.00 1.61 O ATOM 0 H GLU A 71 -11.100 -4.457 2.354 1.00 0.64 H new ATOM 0 HA GLU A 71 -10.589 -3.409 4.959 1.00 0.70 H new ATOM 0 HB2 GLU A 71 -12.006 -5.387 4.485 1.00 0.85 H new ATOM 0 HB3 GLU A 71 -10.589 -6.266 3.947 1.00 0.85 H new ATOM 0 HG2 GLU A 71 -11.193 -6.838 6.269 1.00 1.17 H new ATOM 0 HG3 GLU A 71 -9.591 -6.135 6.170 1.00 1.17 H new ATOM 768 N LEU A 72 -8.123 -4.600 3.210 1.00 0.62 N ATOM 769 CA LEU A 72 -6.680 -4.705 3.146 1.00 0.68 C ATOM 770 C LEU A 72 -6.049 -3.427 3.676 1.00 0.67 C ATOM 771 O LEU A 72 -5.151 -3.455 4.524 1.00 0.74 O ATOM 772 CB LEU A 72 -6.227 -4.990 1.706 1.00 0.74 C ATOM 773 CG LEU A 72 -4.718 -5.137 1.477 1.00 0.92 C ATOM 774 CD1 LEU A 72 -4.458 -6.091 0.322 1.00 1.07 C ATOM 775 CD2 LEU A 72 -4.081 -3.788 1.171 1.00 1.01 C ATOM 0 H LEU A 72 -8.599 -4.773 2.325 1.00 0.62 H new ATOM 0 HA LEU A 72 -6.352 -5.537 3.769 1.00 0.68 H new ATOM 0 HB2 LEU A 72 -6.713 -5.906 1.371 1.00 0.74 H new ATOM 0 HB3 LEU A 72 -6.591 -4.184 1.069 1.00 0.74 H new ATOM 0 HG LEU A 72 -4.274 -5.535 2.389 1.00 0.92 H new ATOM 0 HD11 LEU A 72 -3.384 -6.190 0.166 1.00 1.07 H new ATOM 0 HD12 LEU A 72 -4.882 -7.068 0.554 1.00 1.07 H new ATOM 0 HD13 LEU A 72 -4.922 -5.700 -0.584 1.00 1.07 H new ATOM 0 HD21 LEU A 72 -3.011 -3.919 1.012 1.00 1.01 H new ATOM 0 HD22 LEU A 72 -4.532 -3.368 0.272 1.00 1.01 H new ATOM 0 HD23 LEU A 72 -4.244 -3.110 2.009 1.00 1.01 H new ATOM 787 N MET A 73 -6.557 -2.297 3.217 1.00 0.70 N ATOM 788 CA MET A 73 -6.009 -1.036 3.642 1.00 0.82 C ATOM 789 C MET A 73 -6.688 -0.599 4.923 1.00 0.85 C ATOM 790 O MET A 73 -6.129 0.162 5.678 1.00 1.02 O ATOM 791 CB MET A 73 -6.141 0.034 2.548 1.00 0.96 C ATOM 792 CG MET A 73 -7.557 0.541 2.315 1.00 0.98 C ATOM 793 SD MET A 73 -8.048 1.837 3.468 1.00 1.29 S ATOM 794 CE MET A 73 -6.798 3.071 3.122 1.00 0.76 C ATOM 0 H MET A 73 -7.335 -2.233 2.561 1.00 0.70 H new ATOM 0 HA MET A 73 -4.943 -1.163 3.830 1.00 0.82 H new ATOM 0 HB2 MET A 73 -5.506 0.880 2.810 1.00 0.96 H new ATOM 0 HB3 MET A 73 -5.758 -0.374 1.613 1.00 0.96 H new ATOM 0 HG2 MET A 73 -7.637 0.921 1.296 1.00 0.98 H new ATOM 0 HG3 MET A 73 -8.253 -0.294 2.399 1.00 0.98 H new ATOM 0 HE1 MET A 73 -6.385 3.444 4.059 1.00 0.76 H new ATOM 0 HE2 MET A 73 -6.001 2.625 2.527 1.00 0.76 H new ATOM 0 HE3 MET A 73 -7.245 3.897 2.569 1.00 0.76 H new ATOM 804 N ASN A 74 -7.881 -1.122 5.182 1.00 0.82 N ATOM 805 CA ASN A 74 -8.643 -0.723 6.359 1.00 0.94 C ATOM 806 C ASN A 74 -8.023 -1.302 7.625 1.00 0.92 C ATOM 807 O ASN A 74 -8.113 -0.719 8.703 1.00 1.00 O ATOM 808 CB ASN A 74 -10.099 -1.164 6.244 1.00 1.05 C ATOM 809 CG ASN A 74 -10.987 -0.440 7.232 1.00 1.26 C ATOM 810 OD1 ASN A 74 -10.629 0.795 7.528 1.00 1.62 O flip ATOM 811 ND2 ASN A 74 -11.985 -0.980 7.716 1.00 1.88 N flip ATOM 0 H ASN A 74 -8.340 -1.820 4.596 1.00 0.82 H new ATOM 0 HA ASN A 74 -8.614 0.365 6.419 1.00 0.94 H new ATOM 0 HB2 ASN A 74 -10.456 -0.978 5.231 1.00 1.05 H new ATOM 0 HB3 ASN A 74 -10.167 -2.239 6.414 1.00 1.05 H new ATOM 0 HD21 ASN A 74 -12.223 -1.938 7.457 1.00 1.88 H new ATOM 0 HD22 ASN A 74 -12.572 -0.469 8.375 1.00 1.88 H new ATOM 818 N GLU A 75 -7.434 -2.477 7.511 1.00 0.88 N ATOM 819 CA GLU A 75 -6.627 -3.013 8.592 1.00 0.95 C ATOM 820 C GLU A 75 -5.383 -2.153 8.832 1.00 0.85 C ATOM 821 O GLU A 75 -4.996 -1.924 9.978 1.00 0.90 O ATOM 822 CB GLU A 75 -6.218 -4.460 8.302 1.00 1.07 C ATOM 823 CG GLU A 75 -7.390 -5.429 8.262 1.00 1.66 C ATOM 824 CD GLU A 75 -6.953 -6.875 8.167 1.00 2.20 C ATOM 825 OE1 GLU A 75 -6.443 -7.405 9.175 1.00 2.59 O ATOM 826 OE2 GLU A 75 -7.114 -7.491 7.095 1.00 2.73 O ATOM 0 H GLU A 75 -7.498 -3.075 6.687 1.00 0.88 H new ATOM 0 HA GLU A 75 -7.236 -2.997 9.496 1.00 0.95 H new ATOM 0 HB2 GLU A 75 -5.695 -4.496 7.346 1.00 1.07 H new ATOM 0 HB3 GLU A 75 -5.512 -4.789 9.064 1.00 1.07 H new ATOM 0 HG2 GLU A 75 -7.996 -5.296 9.158 1.00 1.66 H new ATOM 0 HG3 GLU A 75 -8.025 -5.189 7.409 1.00 1.66 H new ATOM 833 N TYR A 76 -4.763 -1.670 7.756 1.00 0.80 N ATOM 834 CA TYR A 76 -3.497 -0.936 7.871 1.00 0.80 C ATOM 835 C TYR A 76 -3.663 0.592 7.894 1.00 0.84 C ATOM 836 O TYR A 76 -2.685 1.312 8.081 1.00 1.09 O ATOM 837 CB TYR A 76 -2.556 -1.331 6.729 1.00 0.81 C ATOM 838 CG TYR A 76 -2.197 -2.801 6.715 1.00 0.80 C ATOM 839 CD1 TYR A 76 -1.838 -3.463 7.884 1.00 1.28 C ATOM 840 CD2 TYR A 76 -2.220 -3.530 5.533 1.00 1.22 C ATOM 841 CE1 TYR A 76 -1.512 -4.806 7.873 1.00 1.65 C ATOM 842 CE2 TYR A 76 -1.895 -4.874 5.514 1.00 1.44 C ATOM 843 CZ TYR A 76 -1.541 -5.505 6.687 1.00 1.51 C ATOM 844 OH TYR A 76 -1.210 -6.842 6.669 1.00 1.98 O ATOM 0 H TYR A 76 -5.110 -1.771 6.802 1.00 0.80 H new ATOM 0 HA TYR A 76 -3.073 -1.217 8.835 1.00 0.80 H new ATOM 0 HB2 TYR A 76 -3.023 -1.072 5.779 1.00 0.81 H new ATOM 0 HB3 TYR A 76 -1.641 -0.744 6.805 1.00 0.81 H new ATOM 0 HD1 TYR A 76 -1.814 -2.918 8.816 1.00 1.28 H new ATOM 0 HD2 TYR A 76 -2.497 -3.038 4.612 1.00 1.22 H new ATOM 0 HE1 TYR A 76 -1.236 -5.305 8.790 1.00 1.65 H new ATOM 0 HE2 TYR A 76 -1.918 -5.426 4.586 1.00 1.44 H new ATOM 0 HH TYR A 76 -0.597 -7.017 5.925 1.00 1.98 H new ATOM 854 N ASP A 77 -4.883 1.094 7.724 1.00 0.72 N ATOM 855 CA ASP A 77 -5.107 2.540 7.577 1.00 0.83 C ATOM 856 C ASP A 77 -5.218 3.223 8.940 1.00 1.13 C ATOM 857 O ASP A 77 -5.879 4.255 9.070 1.00 1.71 O ATOM 858 CB ASP A 77 -6.373 2.830 6.749 1.00 0.91 C ATOM 859 CG ASP A 77 -7.661 2.779 7.551 1.00 1.10 C ATOM 860 OD1 ASP A 77 -7.796 1.880 8.412 1.00 1.63 O ATOM 861 OD2 ASP A 77 -8.549 3.613 7.314 1.00 1.44 O ATOM 0 H ASP A 77 -5.731 0.529 7.684 1.00 0.72 H new ATOM 0 HA ASP A 77 -4.244 2.945 7.049 1.00 0.83 H new ATOM 0 HB2 ASP A 77 -6.279 3.816 6.294 1.00 0.91 H new ATOM 0 HB3 ASP A 77 -6.435 2.108 5.935 1.00 0.91 H new ATOM 866 N ARG A 78 -4.540 2.660 9.946 1.00 1.55 N ATOM 867 CA ARG A 78 -4.643 3.134 11.320 1.00 2.00 C ATOM 868 C ARG A 78 -6.020 2.752 11.904 1.00 1.95 C ATOM 869 O ARG A 78 -6.509 3.339 12.875 1.00 2.43 O ATOM 870 CB ARG A 78 -4.343 4.640 11.339 1.00 2.82 C ATOM 871 CG ARG A 78 -4.635 5.373 12.633 1.00 3.44 C ATOM 872 CD ARG A 78 -5.591 6.509 12.343 1.00 3.60 C ATOM 873 NE ARG A 78 -5.995 7.243 13.536 1.00 3.94 N ATOM 874 CZ ARG A 78 -6.049 8.570 13.596 1.00 4.74 C ATOM 875 NH1 ARG A 78 -5.583 9.302 12.589 1.00 5.29 N ATOM 876 NH2 ARG A 78 -6.542 9.171 14.670 1.00 5.31 N ATOM 0 H ARG A 78 -3.909 1.867 9.826 1.00 1.55 H new ATOM 0 HA ARG A 78 -3.909 2.655 11.968 1.00 2.00 H new ATOM 0 HB2 ARG A 78 -3.289 4.781 11.098 1.00 2.82 H new ATOM 0 HB3 ARG A 78 -4.918 5.112 10.543 1.00 2.82 H new ATOM 0 HG2 ARG A 78 -5.070 4.691 13.364 1.00 3.44 H new ATOM 0 HG3 ARG A 78 -3.712 5.758 13.066 1.00 3.44 H new ATOM 0 HD2 ARG A 78 -5.122 7.199 11.642 1.00 3.60 H new ATOM 0 HD3 ARG A 78 -6.479 6.111 11.852 1.00 3.60 H new ATOM 0 HE ARG A 78 -6.250 6.711 14.368 1.00 3.94 H new ATOM 0 HH11 ARG A 78 -5.183 8.846 11.769 1.00 5.29 H new ATOM 0 HH12 ARG A 78 -5.625 10.320 12.636 1.00 5.29 H new ATOM 0 HH21 ARG A 78 -6.882 8.615 15.455 1.00 5.31 H new ATOM 0 HH22 ARG A 78 -6.581 10.189 14.712 1.00 5.31 H new ATOM 890 N GLU A 79 -6.622 1.728 11.287 1.00 2.29 N ATOM 891 CA GLU A 79 -7.813 1.053 11.814 1.00 2.94 C ATOM 892 C GLU A 79 -9.072 1.904 11.669 1.00 3.08 C ATOM 893 O GLU A 79 -10.032 1.741 12.430 1.00 3.90 O ATOM 894 CB GLU A 79 -7.611 0.684 13.285 1.00 3.83 C ATOM 895 CG GLU A 79 -6.419 -0.225 13.530 1.00 4.30 C ATOM 896 CD GLU A 79 -6.108 -0.372 15.002 1.00 5.26 C ATOM 897 OE1 GLU A 79 -6.705 -1.257 15.652 1.00 5.65 O ATOM 898 OE2 GLU A 79 -5.257 0.383 15.515 1.00 5.89 O ATOM 0 H GLU A 79 -6.294 1.342 10.402 1.00 2.29 H new ATOM 0 HA GLU A 79 -7.952 0.148 11.223 1.00 2.94 H new ATOM 0 HB2 GLU A 79 -7.485 1.598 13.865 1.00 3.83 H new ATOM 0 HB3 GLU A 79 -8.512 0.194 13.654 1.00 3.83 H new ATOM 0 HG2 GLU A 79 -6.619 -1.207 13.103 1.00 4.30 H new ATOM 0 HG3 GLU A 79 -5.546 0.175 13.014 1.00 4.30 H new ATOM 905 N GLY A 80 -9.097 2.777 10.676 1.00 2.54 N ATOM 906 CA GLY A 80 -10.245 3.634 10.493 1.00 3.03 C ATOM 907 C GLY A 80 -9.871 5.094 10.366 1.00 2.53 C ATOM 908 O GLY A 80 -10.221 5.911 11.217 1.00 3.03 O ATOM 0 H GLY A 80 -8.347 2.907 9.997 1.00 2.54 H new ATOM 0 HA2 GLY A 80 -10.786 3.323 9.599 1.00 3.03 H new ATOM 0 HA3 GLY A 80 -10.924 3.509 11.336 1.00 3.03 H new ATOM 912 N ASN A 81 -9.147 5.419 9.312 1.00 1.95 N ATOM 913 CA ASN A 81 -8.790 6.800 9.021 1.00 2.28 C ATOM 914 C ASN A 81 -9.253 7.155 7.619 1.00 1.77 C ATOM 915 O ASN A 81 -9.709 8.269 7.357 1.00 2.29 O ATOM 916 CB ASN A 81 -7.275 7.005 9.133 1.00 3.16 C ATOM 917 CG ASN A 81 -6.854 8.440 8.859 1.00 4.17 C ATOM 918 OD1 ASN A 81 -7.620 9.400 9.359 1.00 4.83 O flip ATOM 919 ND2 ASN A 81 -5.824 8.686 8.232 1.00 4.72 N flip ATOM 0 H ASN A 81 -8.791 4.742 8.637 1.00 1.95 H new ATOM 0 HA ASN A 81 -9.279 7.449 9.747 1.00 2.28 H new ATOM 0 HB2 ASN A 81 -6.947 6.719 10.132 1.00 3.16 H new ATOM 0 HB3 ASN A 81 -6.770 6.342 8.430 1.00 3.16 H new ATOM 0 HD21 ASN A 81 -5.258 7.923 7.861 1.00 4.72 H new ATOM 0 HD22 ASN A 81 -5.536 9.653 8.083 1.00 4.72 H new ATOM 926 N GLY A 82 -9.159 6.185 6.730 1.00 1.33 N ATOM 927 CA GLY A 82 -9.479 6.411 5.341 1.00 1.30 C ATOM 928 C GLY A 82 -8.248 6.272 4.479 1.00 1.00 C ATOM 929 O GLY A 82 -8.306 5.750 3.370 1.00 1.04 O ATOM 0 H GLY A 82 -8.863 5.234 6.949 1.00 1.33 H new ATOM 0 HA2 GLY A 82 -10.238 5.699 5.017 1.00 1.30 H new ATOM 0 HA3 GLY A 82 -9.904 7.407 5.218 1.00 1.30 H new ATOM 933 N TYR A 83 -7.118 6.717 5.010 1.00 0.83 N ATOM 934 CA TYR A 83 -5.859 6.627 4.292 1.00 0.60 C ATOM 935 C TYR A 83 -4.829 5.901 5.134 1.00 0.51 C ATOM 936 O TYR A 83 -4.990 5.742 6.344 1.00 0.62 O ATOM 937 CB TYR A 83 -5.281 8.001 3.937 1.00 0.66 C ATOM 938 CG TYR A 83 -6.182 8.914 3.122 1.00 0.95 C ATOM 939 CD1 TYR A 83 -7.394 9.391 3.619 1.00 1.22 C ATOM 940 CD2 TYR A 83 -5.799 9.316 1.849 1.00 1.52 C ATOM 941 CE1 TYR A 83 -8.192 10.236 2.863 1.00 1.81 C ATOM 942 CE2 TYR A 83 -6.590 10.158 1.092 1.00 2.23 C ATOM 943 CZ TYR A 83 -7.782 10.614 1.600 1.00 2.34 C ATOM 944 OH TYR A 83 -8.566 11.455 0.841 1.00 3.05 O ATOM 0 H TYR A 83 -7.049 7.143 5.934 1.00 0.83 H new ATOM 0 HA TYR A 83 -6.073 6.087 3.370 1.00 0.60 H new ATOM 0 HB2 TYR A 83 -5.020 8.513 4.863 1.00 0.66 H new ATOM 0 HB3 TYR A 83 -4.354 7.851 3.384 1.00 0.66 H new ATOM 0 HD1 TYR A 83 -7.716 9.098 4.607 1.00 1.22 H new ATOM 0 HD2 TYR A 83 -4.863 8.963 1.442 1.00 1.52 H new ATOM 0 HE1 TYR A 83 -9.129 10.597 3.260 1.00 1.81 H new ATOM 0 HE2 TYR A 83 -6.272 10.457 0.104 1.00 2.23 H new ATOM 0 HH TYR A 83 -8.129 11.621 -0.020 1.00 3.05 H new ATOM 954 N ILE A 84 -3.764 5.492 4.481 1.00 0.42 N ATOM 955 CA ILE A 84 -2.644 4.844 5.136 1.00 0.41 C ATOM 956 C ILE A 84 -1.478 5.816 5.254 1.00 0.38 C ATOM 957 O ILE A 84 -1.456 6.848 4.583 1.00 0.42 O ATOM 958 CB ILE A 84 -2.176 3.623 4.327 1.00 0.51 C ATOM 959 CG1 ILE A 84 -1.682 4.081 2.952 1.00 0.62 C ATOM 960 CG2 ILE A 84 -3.299 2.602 4.194 1.00 0.64 C ATOM 961 CD1 ILE A 84 -1.444 2.955 1.982 1.00 0.72 C ATOM 0 H ILE A 84 -3.648 5.599 3.473 1.00 0.42 H new ATOM 0 HA ILE A 84 -2.971 4.524 6.125 1.00 0.41 H new ATOM 0 HB ILE A 84 -1.353 3.139 4.853 1.00 0.51 H new ATOM 0 HG12 ILE A 84 -2.413 4.767 2.524 1.00 0.62 H new ATOM 0 HG13 ILE A 84 -0.755 4.641 3.078 1.00 0.62 H new ATOM 0 HG21 ILE A 84 -2.946 1.746 3.618 1.00 0.64 H new ATOM 0 HG22 ILE A 84 -3.608 2.270 5.185 1.00 0.64 H new ATOM 0 HG23 ILE A 84 -4.147 3.058 3.683 1.00 0.64 H new ATOM 0 HD11 ILE A 84 -1.096 3.361 1.032 1.00 0.72 H new ATOM 0 HD12 ILE A 84 -0.690 2.280 2.386 1.00 0.72 H new ATOM 0 HD13 ILE A 84 -2.374 2.408 1.824 1.00 0.72 H new ATOM 973 N GLY A 85 -0.506 5.477 6.081 1.00 0.40 N ATOM 974 CA GLY A 85 0.690 6.282 6.179 1.00 0.42 C ATOM 975 C GLY A 85 1.842 5.620 5.454 1.00 0.37 C ATOM 976 O GLY A 85 1.759 4.440 5.115 1.00 0.37 O ATOM 0 H GLY A 85 -0.523 4.657 6.688 1.00 0.40 H new ATOM 0 HA2 GLY A 85 0.506 7.269 5.754 1.00 0.42 H new ATOM 0 HA3 GLY A 85 0.950 6.429 7.227 1.00 0.42 H new ATOM 980 N PHE A 86 2.911 6.364 5.203 1.00 0.38 N ATOM 981 CA PHE A 86 4.064 5.822 4.503 1.00 0.35 C ATOM 982 C PHE A 86 4.672 4.662 5.289 1.00 0.40 C ATOM 983 O PHE A 86 5.113 3.668 4.709 1.00 0.43 O ATOM 984 CB PHE A 86 5.103 6.920 4.275 1.00 0.39 C ATOM 985 CG PHE A 86 6.409 6.389 3.767 1.00 0.43 C ATOM 986 CD1 PHE A 86 6.572 6.121 2.424 1.00 0.48 C ATOM 987 CD2 PHE A 86 7.480 6.191 4.625 1.00 0.61 C ATOM 988 CE1 PHE A 86 7.775 5.665 1.941 1.00 0.58 C ATOM 989 CE2 PHE A 86 8.682 5.732 4.148 1.00 0.71 C ATOM 990 CZ PHE A 86 8.803 5.344 2.856 1.00 0.65 C ATOM 0 H PHE A 86 3.002 7.343 5.474 1.00 0.38 H new ATOM 0 HA PHE A 86 3.739 5.443 3.534 1.00 0.35 H new ATOM 0 HB2 PHE A 86 4.709 7.644 3.562 1.00 0.39 H new ATOM 0 HB3 PHE A 86 5.272 7.453 5.210 1.00 0.39 H new ATOM 0 HD1 PHE A 86 5.746 6.271 1.745 1.00 0.48 H new ATOM 0 HD2 PHE A 86 7.367 6.400 5.679 1.00 0.61 H new ATOM 0 HE1 PHE A 86 7.932 5.554 0.878 1.00 0.58 H new ATOM 0 HE2 PHE A 86 9.536 5.680 4.807 1.00 0.71 H new ATOM 0 HZ PHE A 86 9.674 4.796 2.529 1.00 0.65 H new ATOM 1000 N ASP A 87 4.667 4.795 6.608 1.00 0.47 N ATOM 1001 CA ASP A 87 5.209 3.767 7.492 1.00 0.57 C ATOM 1002 C ASP A 87 4.459 2.450 7.297 1.00 0.56 C ATOM 1003 O ASP A 87 5.054 1.374 7.321 1.00 0.68 O ATOM 1004 CB ASP A 87 5.100 4.222 8.948 1.00 0.71 C ATOM 1005 CG ASP A 87 5.951 3.395 9.889 1.00 1.38 C ATOM 1006 OD1 ASP A 87 7.163 3.681 9.999 1.00 1.82 O ATOM 1007 OD2 ASP A 87 5.413 2.482 10.546 1.00 2.13 O ATOM 0 H ASP A 87 4.292 5.609 7.094 1.00 0.47 H new ATOM 0 HA ASP A 87 6.259 3.610 7.246 1.00 0.57 H new ATOM 0 HB2 ASP A 87 5.399 5.268 9.020 1.00 0.71 H new ATOM 0 HB3 ASP A 87 4.058 4.166 9.264 1.00 0.71 H new ATOM 1012 N ASP A 88 3.153 2.558 7.069 1.00 0.52 N ATOM 1013 CA ASP A 88 2.301 1.393 6.853 1.00 0.58 C ATOM 1014 C ASP A 88 2.438 0.889 5.425 1.00 0.59 C ATOM 1015 O ASP A 88 2.384 -0.312 5.171 1.00 0.80 O ATOM 1016 CB ASP A 88 0.834 1.736 7.137 1.00 0.64 C ATOM 1017 CG ASP A 88 0.623 2.294 8.527 1.00 1.27 C ATOM 1018 OD1 ASP A 88 0.533 1.500 9.490 1.00 1.21 O ATOM 1019 OD2 ASP A 88 0.546 3.536 8.664 1.00 2.13 O ATOM 0 H ASP A 88 2.658 3.449 7.029 1.00 0.52 H new ATOM 0 HA ASP A 88 2.622 0.610 7.540 1.00 0.58 H new ATOM 0 HB2 ASP A 88 0.486 2.462 6.402 1.00 0.64 H new ATOM 0 HB3 ASP A 88 0.225 0.840 7.013 1.00 0.64 H new ATOM 1024 N PHE A 89 2.634 1.824 4.500 1.00 0.45 N ATOM 1025 CA PHE A 89 2.785 1.515 3.086 1.00 0.45 C ATOM 1026 C PHE A 89 4.001 0.626 2.880 1.00 0.45 C ATOM 1027 O PHE A 89 4.025 -0.257 2.022 1.00 0.46 O ATOM 1028 CB PHE A 89 2.960 2.823 2.313 1.00 0.44 C ATOM 1029 CG PHE A 89 3.194 2.641 0.854 1.00 0.46 C ATOM 1030 CD1 PHE A 89 2.131 2.403 0.012 1.00 0.55 C ATOM 1031 CD2 PHE A 89 4.470 2.706 0.323 1.00 0.46 C ATOM 1032 CE1 PHE A 89 2.326 2.230 -1.335 1.00 0.60 C ATOM 1033 CE2 PHE A 89 4.675 2.535 -1.027 1.00 0.50 C ATOM 1034 CZ PHE A 89 3.658 2.311 -1.856 1.00 0.56 C ATOM 0 H PHE A 89 2.692 2.820 4.713 1.00 0.45 H new ATOM 0 HA PHE A 89 1.901 0.989 2.725 1.00 0.45 H new ATOM 0 HB2 PHE A 89 2.071 3.437 2.453 1.00 0.44 H new ATOM 0 HB3 PHE A 89 3.798 3.374 2.738 1.00 0.44 H new ATOM 0 HD1 PHE A 89 1.131 2.352 0.417 1.00 0.55 H new ATOM 0 HD2 PHE A 89 5.312 2.892 0.973 1.00 0.46 H new ATOM 0 HE1 PHE A 89 1.490 2.036 -1.991 1.00 0.60 H new ATOM 0 HE2 PHE A 89 5.679 2.583 -1.421 1.00 0.50 H new ATOM 0 HZ PHE A 89 3.836 2.191 -2.914 1.00 0.56 H new ATOM 1044 N LEU A 90 4.997 0.877 3.699 1.00 0.45 N ATOM 1045 CA LEU A 90 6.259 0.172 3.649 1.00 0.44 C ATOM 1046 C LEU A 90 6.079 -1.323 3.865 1.00 0.43 C ATOM 1047 O LEU A 90 6.608 -2.139 3.108 1.00 0.46 O ATOM 1048 CB LEU A 90 7.156 0.752 4.719 1.00 0.46 C ATOM 1049 CG LEU A 90 8.534 1.157 4.234 1.00 0.60 C ATOM 1050 CD1 LEU A 90 9.092 2.260 5.107 1.00 1.41 C ATOM 1051 CD2 LEU A 90 9.460 -0.046 4.233 1.00 1.14 C ATOM 0 H LEU A 90 4.953 1.587 4.430 1.00 0.45 H new ATOM 0 HA LEU A 90 6.703 0.297 2.661 1.00 0.44 H new ATOM 0 HB2 LEU A 90 6.666 1.624 5.152 1.00 0.46 H new ATOM 0 HB3 LEU A 90 7.267 0.019 5.518 1.00 0.46 H new ATOM 0 HG LEU A 90 8.455 1.533 3.214 1.00 0.60 H new ATOM 0 HD11 LEU A 90 10.082 2.542 4.749 1.00 1.41 H new ATOM 0 HD12 LEU A 90 8.431 3.126 5.066 1.00 1.41 H new ATOM 0 HD13 LEU A 90 9.165 1.908 6.136 1.00 1.41 H new ATOM 0 HD21 LEU A 90 10.447 0.255 3.883 1.00 1.14 H new ATOM 0 HD22 LEU A 90 9.539 -0.445 5.244 1.00 1.14 H new ATOM 0 HD23 LEU A 90 9.059 -0.813 3.571 1.00 1.14 H new ATOM 1063 N ASP A 91 5.308 -1.674 4.883 1.00 0.45 N ATOM 1064 CA ASP A 91 5.074 -3.072 5.218 1.00 0.50 C ATOM 1065 C ASP A 91 4.203 -3.764 4.180 1.00 0.52 C ATOM 1066 O ASP A 91 3.934 -4.951 4.290 1.00 0.59 O ATOM 1067 CB ASP A 91 4.452 -3.219 6.604 1.00 0.56 C ATOM 1068 CG ASP A 91 5.493 -3.396 7.689 1.00 1.14 C ATOM 1069 OD1 ASP A 91 6.046 -4.509 7.818 1.00 1.85 O ATOM 1070 OD2 ASP A 91 5.773 -2.419 8.412 1.00 1.84 O ATOM 0 H ASP A 91 4.832 -1.009 5.493 1.00 0.45 H new ATOM 0 HA ASP A 91 6.049 -3.559 5.223 1.00 0.50 H new ATOM 0 HB2 ASP A 91 3.849 -2.338 6.824 1.00 0.56 H new ATOM 0 HB3 ASP A 91 3.778 -4.076 6.608 1.00 0.56 H new ATOM 1075 N ILE A 92 3.751 -3.005 3.195 1.00 0.51 N ATOM 1076 CA ILE A 92 2.980 -3.538 2.075 1.00 0.55 C ATOM 1077 C ILE A 92 3.892 -3.836 0.907 1.00 0.53 C ATOM 1078 O ILE A 92 3.658 -4.758 0.122 1.00 0.60 O ATOM 1079 CB ILE A 92 1.907 -2.536 1.652 1.00 0.58 C ATOM 1080 CG1 ILE A 92 1.107 -2.147 2.882 1.00 0.65 C ATOM 1081 CG2 ILE A 92 1.013 -3.131 0.576 1.00 0.62 C ATOM 1082 CD1 ILE A 92 0.106 -1.042 2.645 1.00 1.30 C ATOM 0 H ILE A 92 3.907 -1.998 3.146 1.00 0.51 H new ATOM 0 HA ILE A 92 2.498 -4.463 2.392 1.00 0.55 H new ATOM 0 HB ILE A 92 2.371 -1.647 1.225 1.00 0.58 H new ATOM 0 HG12 ILE A 92 0.580 -3.026 3.252 1.00 0.65 H new ATOM 0 HG13 ILE A 92 1.797 -1.835 3.667 1.00 0.65 H new ATOM 0 HG21 ILE A 92 0.255 -2.402 0.288 1.00 0.62 H new ATOM 0 HG22 ILE A 92 1.615 -3.391 -0.294 1.00 0.62 H new ATOM 0 HG23 ILE A 92 0.526 -4.027 0.962 1.00 0.62 H new ATOM 0 HD11 ILE A 92 -0.423 -0.825 3.573 1.00 1.30 H new ATOM 0 HD12 ILE A 92 0.626 -0.146 2.306 1.00 1.30 H new ATOM 0 HD13 ILE A 92 -0.609 -1.356 1.885 1.00 1.30 H new ATOM 1094 N MET A 93 4.951 -3.067 0.815 1.00 0.47 N ATOM 1095 CA MET A 93 5.981 -3.325 -0.160 1.00 0.48 C ATOM 1096 C MET A 93 6.804 -4.507 0.312 1.00 0.49 C ATOM 1097 O MET A 93 7.409 -5.224 -0.479 1.00 0.55 O ATOM 1098 CB MET A 93 6.841 -2.081 -0.345 1.00 0.50 C ATOM 1099 CG MET A 93 6.006 -0.852 -0.648 1.00 0.61 C ATOM 1100 SD MET A 93 6.491 -0.038 -2.182 1.00 0.57 S ATOM 1101 CE MET A 93 6.387 -1.388 -3.353 1.00 0.63 C ATOM 0 H MET A 93 5.121 -2.254 1.407 1.00 0.47 H new ATOM 0 HA MET A 93 5.542 -3.566 -1.128 1.00 0.48 H new ATOM 0 HB2 MET A 93 7.427 -1.908 0.558 1.00 0.50 H new ATOM 0 HB3 MET A 93 7.549 -2.247 -1.157 1.00 0.50 H new ATOM 0 HG2 MET A 93 4.956 -1.138 -0.710 1.00 0.61 H new ATOM 0 HG3 MET A 93 6.095 -0.145 0.177 1.00 0.61 H new ATOM 0 HE1 MET A 93 6.078 -1.004 -4.325 1.00 0.63 H new ATOM 0 HE2 MET A 93 7.363 -1.865 -3.445 1.00 0.63 H new ATOM 0 HE3 MET A 93 5.657 -2.118 -3.003 1.00 0.63 H new ATOM 1111 N THR A 94 6.805 -4.702 1.623 1.00 0.48 N ATOM 1112 CA THR A 94 7.403 -5.875 2.223 1.00 0.54 C ATOM 1113 C THR A 94 6.343 -6.940 2.498 1.00 0.61 C ATOM 1114 O THR A 94 6.669 -8.089 2.789 1.00 0.74 O ATOM 1115 CB THR A 94 8.112 -5.519 3.541 1.00 0.59 C ATOM 1116 OG1 THR A 94 7.147 -5.172 4.539 1.00 0.64 O ATOM 1117 CG2 THR A 94 9.059 -4.351 3.334 1.00 0.60 C ATOM 0 H THR A 94 6.393 -4.053 2.293 1.00 0.48 H new ATOM 0 HA THR A 94 8.136 -6.266 1.517 1.00 0.54 H new ATOM 0 HB THR A 94 8.681 -6.388 3.870 1.00 0.59 H new ATOM 0 HG1 THR A 94 7.609 -4.887 5.355 1.00 0.64 H new ATOM 0 HG21 THR A 94 9.553 -4.112 4.276 1.00 0.60 H new ATOM 0 HG22 THR A 94 9.809 -4.618 2.589 1.00 0.60 H new ATOM 0 HG23 THR A 94 8.497 -3.484 2.988 1.00 0.60 H new ATOM 1125 N GLU A 95 5.069 -6.551 2.400 1.00 0.58 N ATOM 1126 CA GLU A 95 3.961 -7.437 2.753 1.00 0.68 C ATOM 1127 C GLU A 95 4.101 -8.769 2.065 1.00 0.71 C ATOM 1128 O GLU A 95 4.239 -9.815 2.699 1.00 0.79 O ATOM 1129 CB GLU A 95 2.617 -6.835 2.365 1.00 0.72 C ATOM 1130 CG GLU A 95 1.430 -7.719 2.710 1.00 0.92 C ATOM 1131 CD GLU A 95 1.323 -7.968 4.202 1.00 1.32 C ATOM 1132 OE1 GLU A 95 1.912 -8.953 4.690 1.00 2.09 O ATOM 1133 OE2 GLU A 95 0.671 -7.166 4.898 1.00 1.67 O ATOM 0 H GLU A 95 4.781 -5.627 2.079 1.00 0.58 H new ATOM 0 HA GLU A 95 3.997 -7.569 3.834 1.00 0.68 H new ATOM 0 HB2 GLU A 95 2.501 -5.874 2.866 1.00 0.72 H new ATOM 0 HB3 GLU A 95 2.613 -6.638 1.293 1.00 0.72 H new ATOM 0 HG2 GLU A 95 0.513 -7.250 2.354 1.00 0.92 H new ATOM 0 HG3 GLU A 95 1.524 -8.672 2.189 1.00 0.92 H new ATOM 1140 N LYS A 96 4.127 -8.703 0.753 1.00 0.68 N ATOM 1141 CA LYS A 96 4.006 -9.886 -0.047 1.00 0.75 C ATOM 1142 C LYS A 96 5.289 -10.726 -0.069 1.00 0.77 C ATOM 1143 O LYS A 96 5.305 -11.794 -0.668 1.00 0.90 O ATOM 1144 CB LYS A 96 3.557 -9.523 -1.471 1.00 0.78 C ATOM 1145 CG LYS A 96 4.318 -8.352 -2.079 1.00 0.75 C ATOM 1146 CD LYS A 96 5.754 -8.724 -2.401 1.00 0.89 C ATOM 1147 CE LYS A 96 6.667 -7.515 -2.361 1.00 0.80 C ATOM 1148 NZ LYS A 96 6.398 -6.559 -3.470 1.00 1.16 N ATOM 0 H LYS A 96 4.231 -7.838 0.223 1.00 0.68 H new ATOM 0 HA LYS A 96 3.243 -10.510 0.418 1.00 0.75 H new ATOM 0 HB2 LYS A 96 3.679 -10.395 -2.113 1.00 0.78 H new ATOM 0 HB3 LYS A 96 2.494 -9.284 -1.456 1.00 0.78 H new ATOM 0 HG2 LYS A 96 3.814 -8.023 -2.988 1.00 0.75 H new ATOM 0 HG3 LYS A 96 4.306 -7.511 -1.386 1.00 0.75 H new ATOM 0 HD2 LYS A 96 6.106 -9.470 -1.688 1.00 0.89 H new ATOM 0 HD3 LYS A 96 5.799 -9.182 -3.389 1.00 0.89 H new ATOM 0 HE2 LYS A 96 6.544 -7.003 -1.407 1.00 0.80 H new ATOM 0 HE3 LYS A 96 7.704 -7.845 -2.414 1.00 0.80 H new ATOM 0 HZ1 LYS A 96 7.048 -5.751 -3.397 1.00 1.16 H new ATOM 0 HZ2 LYS A 96 6.541 -7.037 -4.383 1.00 1.16 H new ATOM 0 HZ3 LYS A 96 5.417 -6.220 -3.406 1.00 1.16 H new ATOM 1162 N ILE A 97 6.376 -10.230 0.531 1.00 0.72 N ATOM 1163 CA ILE A 97 7.616 -11.007 0.578 1.00 0.78 C ATOM 1164 C ILE A 97 7.816 -11.739 1.910 1.00 0.86 C ATOM 1165 O ILE A 97 8.142 -12.924 1.921 1.00 0.97 O ATOM 1166 CB ILE A 97 8.879 -10.185 0.222 1.00 0.78 C ATOM 1167 CG1 ILE A 97 8.935 -8.837 0.940 1.00 0.73 C ATOM 1168 CG2 ILE A 97 8.983 -9.986 -1.278 1.00 0.90 C ATOM 1169 CD1 ILE A 97 9.576 -8.911 2.304 1.00 0.79 C ATOM 0 H ILE A 97 6.423 -9.316 0.981 1.00 0.72 H new ATOM 0 HA ILE A 97 7.489 -11.758 -0.202 1.00 0.78 H new ATOM 0 HB ILE A 97 9.734 -10.765 0.570 1.00 0.78 H new ATOM 0 HG12 ILE A 97 9.489 -8.128 0.324 1.00 0.73 H new ATOM 0 HG13 ILE A 97 7.923 -8.446 1.043 1.00 0.73 H new ATOM 0 HG21 ILE A 97 9.877 -9.406 -1.507 1.00 0.90 H new ATOM 0 HG22 ILE A 97 9.044 -10.957 -1.770 1.00 0.90 H new ATOM 0 HG23 ILE A 97 8.103 -9.452 -1.636 1.00 0.90 H new ATOM 0 HD11 ILE A 97 9.583 -7.920 2.757 1.00 0.79 H new ATOM 0 HD12 ILE A 97 9.009 -9.595 2.936 1.00 0.79 H new ATOM 0 HD13 ILE A 97 10.600 -9.272 2.206 1.00 0.79 H new ATOM 1181 N LYS A 98 7.633 -11.044 3.037 1.00 0.93 N ATOM 1182 CA LYS A 98 7.853 -11.662 4.346 1.00 1.13 C ATOM 1183 C LYS A 98 6.612 -12.421 4.788 1.00 1.19 C ATOM 1184 O LYS A 98 6.669 -13.286 5.661 1.00 1.39 O ATOM 1185 CB LYS A 98 8.303 -10.623 5.400 1.00 1.33 C ATOM 1186 CG LYS A 98 7.460 -9.357 5.466 1.00 1.54 C ATOM 1187 CD LYS A 98 6.127 -9.585 6.153 1.00 1.29 C ATOM 1188 CE LYS A 98 5.069 -8.667 5.588 1.00 1.14 C ATOM 1189 NZ LYS A 98 5.219 -7.253 6.041 1.00 1.56 N ATOM 0 H LYS A 98 7.338 -10.068 3.069 1.00 0.93 H new ATOM 0 HA LYS A 98 8.668 -12.379 4.252 1.00 1.13 H new ATOM 0 HB2 LYS A 98 8.294 -11.098 6.381 1.00 1.33 H new ATOM 0 HB3 LYS A 98 9.335 -10.342 5.192 1.00 1.33 H new ATOM 0 HG2 LYS A 98 8.013 -8.583 5.999 1.00 1.54 H new ATOM 0 HG3 LYS A 98 7.286 -8.986 4.456 1.00 1.54 H new ATOM 0 HD2 LYS A 98 5.820 -10.623 6.026 1.00 1.29 H new ATOM 0 HD3 LYS A 98 6.231 -9.412 7.224 1.00 1.29 H new ATOM 0 HE2 LYS A 98 5.111 -8.700 4.499 1.00 1.14 H new ATOM 0 HE3 LYS A 98 4.085 -9.033 5.880 1.00 1.14 H new ATOM 0 HZ1 LYS A 98 4.294 -6.779 6.013 1.00 1.56 H new ATOM 0 HZ2 LYS A 98 5.587 -7.237 7.014 1.00 1.56 H new ATOM 0 HZ3 LYS A 98 5.882 -6.756 5.412 1.00 1.56 H new ATOM 1203 N ASN A 99 5.488 -12.097 4.165 1.00 1.11 N ATOM 1204 CA ASN A 99 4.271 -12.865 4.342 1.00 1.24 C ATOM 1205 C ASN A 99 3.865 -13.387 2.974 1.00 1.27 C ATOM 1206 O ASN A 99 2.686 -13.474 2.635 1.00 1.57 O ATOM 1207 CB ASN A 99 3.166 -12.010 4.979 1.00 1.30 C ATOM 1208 CG ASN A 99 2.097 -12.843 5.684 1.00 1.53 C ATOM 1209 OD1 ASN A 99 1.721 -12.542 6.820 1.00 1.97 O ATOM 1210 ND2 ASN A 99 1.576 -13.864 5.020 1.00 1.86 N ATOM 0 H ASN A 99 5.397 -11.304 3.531 1.00 1.11 H new ATOM 0 HA ASN A 99 4.437 -13.699 5.024 1.00 1.24 H new ATOM 0 HB2 ASN A 99 3.614 -11.323 5.696 1.00 1.30 H new ATOM 0 HB3 ASN A 99 2.694 -11.402 4.207 1.00 1.30 H new ATOM 0 HD21 ASN A 99 0.841 -14.428 5.447 1.00 1.86 H new ATOM 0 HD22 ASN A 99 1.910 -14.086 4.082 1.00 1.86 H new ATOM 1217 N ARG A 100 4.882 -13.738 2.193 1.00 1.20 N ATOM 1218 CA ARG A 100 4.684 -14.282 0.864 1.00 1.28 C ATOM 1219 C ARG A 100 3.878 -15.576 0.945 1.00 1.61 C ATOM 1220 O ARG A 100 3.100 -15.911 0.049 1.00 1.75 O ATOM 1221 CB ARG A 100 6.041 -14.527 0.192 1.00 1.26 C ATOM 1222 CG ARG A 100 5.956 -15.336 -1.089 1.00 1.58 C ATOM 1223 CD ARG A 100 7.236 -15.232 -1.899 1.00 1.70 C ATOM 1224 NE ARG A 100 7.315 -13.969 -2.632 1.00 2.35 N ATOM 1225 CZ ARG A 100 8.454 -13.355 -2.937 1.00 2.88 C ATOM 1226 NH1 ARG A 100 9.614 -13.832 -2.493 1.00 2.86 N ATOM 1227 NH2 ARG A 100 8.423 -12.248 -3.666 1.00 3.81 N ATOM 0 H ARG A 100 5.861 -13.652 2.467 1.00 1.20 H new ATOM 0 HA ARG A 100 4.125 -13.566 0.262 1.00 1.28 H new ATOM 0 HB2 ARG A 100 6.506 -13.566 -0.027 1.00 1.26 H new ATOM 0 HB3 ARG A 100 6.695 -15.044 0.894 1.00 1.26 H new ATOM 0 HG2 ARG A 100 5.760 -16.381 -0.848 1.00 1.58 H new ATOM 0 HG3 ARG A 100 5.116 -14.984 -1.688 1.00 1.58 H new ATOM 0 HD2 ARG A 100 8.095 -15.320 -1.234 1.00 1.70 H new ATOM 0 HD3 ARG A 100 7.290 -16.064 -2.601 1.00 1.70 H new ATOM 0 HE ARG A 100 6.442 -13.532 -2.928 1.00 2.35 H new ATOM 0 HH11 ARG A 100 9.632 -14.673 -1.916 1.00 2.86 H new ATOM 0 HH12 ARG A 100 10.485 -13.357 -2.730 1.00 2.86 H new ATOM 0 HH21 ARG A 100 7.530 -11.874 -3.988 1.00 3.81 H new ATOM 0 HH22 ARG A 100 9.292 -11.770 -3.905 1.00 3.81 H new ATOM 1241 N ASP A 101 4.067 -16.287 2.047 1.00 2.03 N ATOM 1242 CA ASP A 101 3.357 -17.525 2.298 1.00 2.53 C ATOM 1243 C ASP A 101 2.605 -17.431 3.614 1.00 2.92 C ATOM 1244 O ASP A 101 1.361 -17.417 3.594 1.00 3.13 O ATOM 1245 CB ASP A 101 4.337 -18.691 2.342 1.00 3.31 C ATOM 1246 CG ASP A 101 3.634 -20.024 2.457 1.00 3.89 C ATOM 1247 OD1 ASP A 101 3.022 -20.467 1.464 1.00 4.02 O ATOM 1248 OD2 ASP A 101 3.683 -20.631 3.548 1.00 4.34 O ATOM 1249 OXT ASP A 101 3.273 -17.333 4.667 1.00 3.41 O ATOM 0 H ASP A 101 4.715 -16.020 2.788 1.00 2.03 H new ATOM 0 HA ASP A 101 2.644 -17.694 1.491 1.00 2.53 H new ATOM 0 HB2 ASP A 101 4.950 -18.682 1.441 1.00 3.31 H new ATOM 0 HB3 ASP A 101 5.012 -18.564 3.188 1.00 3.31 H new TER 1254 ASP A 101