USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 682 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 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 58 GLN : amide:sc= 0.852 X(o=2.1,f=1.9) USER MOD Set 1.3: A 62 TYR OH : rot -114:sc= 1.2 USER MOD Single : A 1 MET CE :methyl -152:sc= -0.124 (180deg=-0.767) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 152:sc= -0.176 (180deg=-1.13) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 112:sc= 1.27 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 95:sc= 0.00307 USER MOD Single : A 16 SER OG : rot 131:sc= 1.15 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -95:sc= -0.129 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 2:sc= 1.61 USER MOD Single : A 43 SER OG : rot 119:sc= -0.725 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00122 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.4!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.987 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0787 USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0852) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.0685 X(o=-0.069,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 63.505 -3.339 43.196 1.00 0.00 N ATOM 2 CA GLY A -3 62.323 -2.431 43.184 1.00 0.00 C ATOM 3 C GLY A -3 62.688 -1.124 42.477 1.00 0.00 C ATOM 4 O GLY A -3 62.532 -0.049 43.026 1.00 0.00 O ATOM 0 H1 GLY A -3 63.256 -4.227 43.677 1.00 0.00 H new ATOM 0 H2 GLY A -3 63.795 -3.544 42.219 1.00 0.00 H new ATOM 0 H3 GLY A -3 64.290 -2.880 43.701 1.00 0.00 H new ATOM 0 HA2 GLY A -3 61.488 -2.911 42.674 1.00 0.00 H new ATOM 0 HA3 GLY A -3 61.998 -2.226 44.204 1.00 0.00 H new ATOM 10 N ALA A -2 63.174 -1.214 41.262 1.00 0.00 N ATOM 11 CA ALA A -2 63.554 0.018 40.505 1.00 0.00 C ATOM 12 C ALA A -2 62.503 0.326 39.435 1.00 0.00 C ATOM 13 O ALA A -2 61.919 -0.569 38.853 1.00 0.00 O ATOM 14 CB ALA A -2 64.898 -0.317 39.856 1.00 0.00 C ATOM 0 H ALA A -2 63.324 -2.090 40.762 1.00 0.00 H new ATOM 0 HA ALA A -2 63.619 0.896 41.148 1.00 0.00 H new ATOM 0 HB1 ALA A -2 65.247 0.540 39.279 1.00 0.00 H new ATOM 0 HB2 ALA A -2 65.627 -0.554 40.631 1.00 0.00 H new ATOM 0 HB3 ALA A -2 64.779 -1.175 39.195 1.00 0.00 H new ATOM 20 N MET A -1 62.263 1.589 39.176 1.00 0.00 N ATOM 21 CA MET A -1 61.253 1.972 38.143 1.00 0.00 C ATOM 22 C MET A -1 61.946 2.265 36.808 1.00 0.00 C ATOM 23 O MET A -1 62.827 3.103 36.730 1.00 0.00 O ATOM 24 CB MET A -1 60.586 3.235 38.690 1.00 0.00 C ATOM 25 CG MET A -1 59.376 3.593 37.824 1.00 0.00 C ATOM 26 SD MET A -1 58.662 5.153 38.401 1.00 0.00 S ATOM 27 CE MET A -1 59.997 6.237 37.838 1.00 0.00 C ATOM 0 H MET A -1 62.725 2.372 39.638 1.00 0.00 H new ATOM 0 HA MET A -1 60.530 1.177 37.957 1.00 0.00 H new ATOM 0 HB2 MET A -1 60.273 3.075 39.722 1.00 0.00 H new ATOM 0 HB3 MET A -1 61.298 4.060 38.697 1.00 0.00 H new ATOM 0 HG2 MET A -1 59.676 3.682 36.780 1.00 0.00 H new ATOM 0 HG3 MET A -1 58.631 2.799 37.875 1.00 0.00 H new ATOM 0 HE1 MET A -1 59.596 7.229 37.628 1.00 0.00 H new ATOM 0 HE2 MET A -1 60.758 6.310 38.615 1.00 0.00 H new ATOM 0 HE3 MET A -1 60.442 5.826 36.932 1.00 0.00 H new ATOM 37 N ALA A 0 61.554 1.578 35.762 1.00 0.00 N ATOM 38 CA ALA A 0 62.187 1.801 34.427 1.00 0.00 C ATOM 39 C ALA A 0 61.185 1.503 33.309 1.00 0.00 C ATOM 40 O ALA A 0 60.211 0.802 33.510 1.00 0.00 O ATOM 41 CB ALA A 0 63.357 0.818 34.375 1.00 0.00 C ATOM 0 H ALA A 0 60.820 0.870 35.777 1.00 0.00 H new ATOM 0 HA ALA A 0 62.514 2.832 34.292 1.00 0.00 H new ATOM 0 HB1 ALA A 0 63.876 0.920 33.422 1.00 0.00 H new ATOM 0 HB2 ALA A 0 64.049 1.033 35.189 1.00 0.00 H new ATOM 0 HB3 ALA A 0 62.982 -0.200 34.477 1.00 0.00 H new ATOM 47 N MET A 1 61.422 2.032 32.132 1.00 0.00 N ATOM 48 CA MET A 1 60.494 1.781 30.983 1.00 0.00 C ATOM 49 C MET A 1 61.271 1.213 29.788 1.00 0.00 C ATOM 50 O MET A 1 62.475 1.366 29.693 1.00 0.00 O ATOM 51 CB MET A 1 59.883 3.150 30.640 1.00 0.00 C ATOM 52 CG MET A 1 60.984 4.163 30.295 1.00 0.00 C ATOM 53 SD MET A 1 60.229 5.706 29.726 1.00 0.00 S ATOM 54 CE MET A 1 59.715 5.121 28.092 1.00 0.00 C ATOM 0 H MET A 1 62.221 2.629 31.917 1.00 0.00 H new ATOM 0 HA MET A 1 59.722 1.053 31.232 1.00 0.00 H new ATOM 0 HB2 MET A 1 59.199 3.048 29.798 1.00 0.00 H new ATOM 0 HB3 MET A 1 59.298 3.515 31.484 1.00 0.00 H new ATOM 0 HG2 MET A 1 61.606 4.351 31.170 1.00 0.00 H new ATOM 0 HG3 MET A 1 61.636 3.758 29.521 1.00 0.00 H new ATOM 0 HE1 MET A 1 59.687 5.960 27.397 1.00 0.00 H new ATOM 0 HE2 MET A 1 60.425 4.376 27.732 1.00 0.00 H new ATOM 0 HE3 MET A 1 58.723 4.674 28.161 1.00 0.00 H new ATOM 64 N SER A 2 60.586 0.561 28.880 1.00 0.00 N ATOM 65 CA SER A 2 61.272 -0.032 27.690 1.00 0.00 C ATOM 66 C SER A 2 60.862 0.714 26.416 1.00 0.00 C ATOM 67 O SER A 2 59.712 1.072 26.243 1.00 0.00 O ATOM 68 CB SER A 2 60.794 -1.482 27.640 1.00 0.00 C ATOM 69 OG SER A 2 61.484 -2.168 26.604 1.00 0.00 O ATOM 0 H SER A 2 59.577 0.414 28.912 1.00 0.00 H new ATOM 0 HA SER A 2 62.357 0.037 27.762 1.00 0.00 H new ATOM 0 HB2 SER A 2 60.974 -1.970 28.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 59.719 -1.517 27.462 1.00 0.00 H new ATOM 0 HG SER A 2 61.181 -3.099 26.570 1.00 0.00 H new ATOM 75 N GLY A 3 61.799 0.947 25.529 1.00 0.00 N ATOM 76 CA GLY A 3 61.479 1.668 24.260 1.00 0.00 C ATOM 77 C GLY A 3 61.056 0.659 23.190 1.00 0.00 C ATOM 78 O GLY A 3 60.952 -0.525 23.451 1.00 0.00 O ATOM 0 H GLY A 3 62.775 0.667 25.631 1.00 0.00 H new ATOM 0 HA2 GLY A 3 60.680 2.389 24.431 1.00 0.00 H new ATOM 0 HA3 GLY A 3 62.348 2.231 23.920 1.00 0.00 H new ATOM 82 N GLY A 4 60.813 1.124 21.988 1.00 0.00 N ATOM 83 CA GLY A 4 60.400 0.203 20.887 1.00 0.00 C ATOM 84 C GLY A 4 60.942 0.723 19.555 1.00 0.00 C ATOM 85 O GLY A 4 60.190 1.000 18.637 1.00 0.00 O ATOM 0 H GLY A 4 60.884 2.106 21.723 1.00 0.00 H new ATOM 0 HA2 GLY A 4 60.778 -0.801 21.078 1.00 0.00 H new ATOM 0 HA3 GLY A 4 59.313 0.132 20.846 1.00 0.00 H new ATOM 89 N LEU A 5 62.242 0.856 19.444 1.00 0.00 N ATOM 90 CA LEU A 5 62.845 1.370 18.174 1.00 0.00 C ATOM 91 C LEU A 5 62.919 0.247 17.127 1.00 0.00 C ATOM 92 O LEU A 5 62.925 -0.916 17.481 1.00 0.00 O ATOM 93 CB LEU A 5 64.252 1.840 18.554 1.00 0.00 C ATOM 94 CG LEU A 5 64.152 3.065 19.465 1.00 0.00 C ATOM 95 CD1 LEU A 5 65.449 3.217 20.261 1.00 0.00 C ATOM 96 CD2 LEU A 5 63.930 4.316 18.611 1.00 0.00 C ATOM 0 H LEU A 5 62.912 0.630 20.179 1.00 0.00 H new ATOM 0 HA LEU A 5 62.253 2.175 17.738 1.00 0.00 H new ATOM 0 HB2 LEU A 5 64.790 1.039 19.061 1.00 0.00 H new ATOM 0 HB3 LEU A 5 64.819 2.086 17.657 1.00 0.00 H new ATOM 0 HG LEU A 5 63.316 2.939 20.153 1.00 0.00 H new ATOM 0 HD11 LEU A 5 65.377 4.090 20.910 1.00 0.00 H new ATOM 0 HD12 LEU A 5 65.610 2.326 20.868 1.00 0.00 H new ATOM 0 HD13 LEU A 5 66.285 3.344 19.573 1.00 0.00 H new ATOM 0 HD21 LEU A 5 63.858 5.190 19.258 1.00 0.00 H new ATOM 0 HD22 LEU A 5 64.767 4.441 17.924 1.00 0.00 H new ATOM 0 HD23 LEU A 5 63.006 4.209 18.042 1.00 0.00 H new ATOM 108 N PRO A 6 62.973 0.629 15.864 1.00 0.00 N ATOM 109 CA PRO A 6 63.050 -0.379 14.770 1.00 0.00 C ATOM 110 C PRO A 6 64.389 -1.125 14.824 1.00 0.00 C ATOM 111 O PRO A 6 65.367 -0.622 15.345 1.00 0.00 O ATOM 112 CB PRO A 6 62.940 0.453 13.490 1.00 0.00 C ATOM 113 CG PRO A 6 63.318 1.845 13.885 1.00 0.00 C ATOM 114 CD PRO A 6 62.967 2.004 15.340 1.00 0.00 C ATOM 0 HA PRO A 6 62.273 -1.140 14.839 1.00 0.00 H new ATOM 0 HB2 PRO A 6 63.604 0.071 12.715 1.00 0.00 H new ATOM 0 HB3 PRO A 6 61.928 0.421 13.087 1.00 0.00 H new ATOM 0 HG2 PRO A 6 64.383 2.015 13.725 1.00 0.00 H new ATOM 0 HG3 PRO A 6 62.784 2.576 13.278 1.00 0.00 H new ATOM 0 HD2 PRO A 6 63.692 2.631 15.859 1.00 0.00 H new ATOM 0 HD3 PRO A 6 61.992 2.474 15.466 1.00 0.00 H new ATOM 122 N GLU A 7 64.433 -2.323 14.288 1.00 0.00 N ATOM 123 CA GLU A 7 65.706 -3.118 14.307 1.00 0.00 C ATOM 124 C GLU A 7 66.784 -2.423 13.468 1.00 0.00 C ATOM 125 O GLU A 7 66.816 -2.551 12.258 1.00 0.00 O ATOM 126 CB GLU A 7 65.345 -4.472 13.688 1.00 0.00 C ATOM 127 CG GLU A 7 64.372 -5.214 14.608 1.00 0.00 C ATOM 128 CD GLU A 7 64.065 -6.598 14.025 1.00 0.00 C ATOM 129 OE1 GLU A 7 64.989 -7.237 13.546 1.00 0.00 O ATOM 130 OE2 GLU A 7 62.912 -6.994 14.069 1.00 0.00 O ATOM 0 H GLU A 7 63.643 -2.785 13.838 1.00 0.00 H new ATOM 0 HA GLU A 7 66.104 -3.222 15.316 1.00 0.00 H new ATOM 0 HB2 GLU A 7 64.894 -4.326 12.707 1.00 0.00 H new ATOM 0 HB3 GLU A 7 66.246 -5.067 13.539 1.00 0.00 H new ATOM 0 HG2 GLU A 7 64.803 -5.316 15.604 1.00 0.00 H new ATOM 0 HG3 GLU A 7 63.451 -4.642 14.717 1.00 0.00 H new ATOM 137 N LEU A 8 67.664 -1.691 14.108 1.00 0.00 N ATOM 138 CA LEU A 8 68.751 -0.977 13.360 1.00 0.00 C ATOM 139 C LEU A 8 69.698 -1.981 12.692 1.00 0.00 C ATOM 140 O LEU A 8 69.818 -3.113 13.124 1.00 0.00 O ATOM 141 CB LEU A 8 69.510 -0.170 14.419 1.00 0.00 C ATOM 142 CG LEU A 8 68.588 0.897 15.018 1.00 0.00 C ATOM 143 CD1 LEU A 8 69.250 1.510 16.252 1.00 0.00 C ATOM 144 CD2 LEU A 8 68.336 1.994 13.980 1.00 0.00 C ATOM 0 H LEU A 8 67.678 -1.556 15.119 1.00 0.00 H new ATOM 0 HA LEU A 8 68.344 -0.345 12.571 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.872 -0.833 15.204 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.385 0.302 13.972 1.00 0.00 H new ATOM 0 HG LEU A 8 67.641 0.439 15.303 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.594 2.269 16.678 1.00 0.00 H new ATOM 0 HD12 LEU A 8 69.432 0.731 16.992 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.197 1.968 15.967 1.00 0.00 H new ATOM 0 HD21 LEU A 8 67.680 2.754 14.405 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.284 2.451 13.696 1.00 0.00 H new ATOM 0 HD23 LEU A 8 67.864 1.560 13.099 1.00 0.00 H new ATOM 156 N GLY A 9 70.369 -1.570 11.642 1.00 0.00 N ATOM 157 CA GLY A 9 71.358 -2.469 10.970 1.00 0.00 C ATOM 158 C GLY A 9 70.674 -3.452 10.006 1.00 0.00 C ATOM 159 O GLY A 9 71.340 -4.232 9.350 1.00 0.00 O ATOM 0 H GLY A 9 70.273 -0.646 11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.082 -1.867 10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.913 -3.027 11.724 1.00 0.00 H new ATOM 163 N SER A 10 69.360 -3.429 9.909 1.00 0.00 N ATOM 164 CA SER A 10 68.655 -4.363 8.966 1.00 0.00 C ATOM 165 C SER A 10 69.082 -4.085 7.519 1.00 0.00 C ATOM 166 O SER A 10 69.176 -2.945 7.105 1.00 0.00 O ATOM 167 CB SER A 10 67.164 -4.067 9.142 1.00 0.00 C ATOM 168 OG SER A 10 66.779 -4.376 10.475 1.00 0.00 O ATOM 0 H SER A 10 68.749 -2.807 10.439 1.00 0.00 H new ATOM 0 HA SER A 10 68.893 -5.406 9.176 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.962 -3.018 8.927 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.579 -4.656 8.436 1.00 0.00 H new ATOM 0 HG SER A 10 66.557 -3.549 10.951 1.00 0.00 H new ATOM 174 N LYS A 11 69.342 -5.118 6.755 1.00 0.00 N ATOM 175 CA LYS A 11 69.759 -4.917 5.330 1.00 0.00 C ATOM 176 C LYS A 11 68.530 -4.686 4.438 1.00 0.00 C ATOM 177 O LYS A 11 67.598 -5.471 4.434 1.00 0.00 O ATOM 178 CB LYS A 11 70.513 -6.202 4.934 1.00 0.00 C ATOM 179 CG LYS A 11 69.570 -7.415 4.911 1.00 0.00 C ATOM 180 CD LYS A 11 70.390 -8.694 4.729 1.00 0.00 C ATOM 181 CE LYS A 11 69.459 -9.851 4.363 1.00 0.00 C ATOM 182 NZ LYS A 11 70.166 -11.076 4.832 1.00 0.00 N ATOM 0 H LYS A 11 69.284 -6.091 7.055 1.00 0.00 H new ATOM 0 HA LYS A 11 70.392 -4.038 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 11 70.967 -6.072 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.325 -6.382 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.000 -7.464 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 11 68.849 -7.314 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.136 -8.552 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 11 70.931 -8.925 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 11 68.488 -9.745 4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 11 69.277 -9.887 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 69.589 -11.914 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 71.084 -11.154 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 70.319 -11.017 5.859 1.00 0.00 H new ATOM 196 N ILE A 12 68.525 -3.611 3.685 1.00 0.00 N ATOM 197 CA ILE A 12 67.366 -3.325 2.781 1.00 0.00 C ATOM 198 C ILE A 12 67.853 -3.140 1.337 1.00 0.00 C ATOM 199 O ILE A 12 68.928 -2.616 1.095 1.00 0.00 O ATOM 200 CB ILE A 12 66.732 -2.032 3.321 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.246 -2.264 4.758 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.537 -1.633 2.444 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.811 -0.934 5.378 1.00 0.00 C ATOM 0 H ILE A 12 69.274 -2.919 3.658 1.00 0.00 H new ATOM 0 HA ILE A 12 66.645 -4.143 2.766 1.00 0.00 H new ATOM 0 HB ILE A 12 67.476 -1.235 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.413 -2.967 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.042 -2.710 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.092 -0.717 2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.875 -1.468 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.794 -2.431 2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.467 -1.103 6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.655 -0.245 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.001 -0.505 4.788 1.00 0.00 H new ATOM 215 N SER A 13 67.058 -3.574 0.389 1.00 0.00 N ATOM 216 CA SER A 13 67.386 -3.358 -1.051 1.00 0.00 C ATOM 217 C SER A 13 66.532 -2.213 -1.601 1.00 0.00 C ATOM 218 O SER A 13 65.350 -2.126 -1.322 1.00 0.00 O ATOM 219 CB SER A 13 67.036 -4.675 -1.743 1.00 0.00 C ATOM 220 OG SER A 13 67.424 -4.604 -3.108 1.00 0.00 O ATOM 0 H SER A 13 66.185 -4.075 0.556 1.00 0.00 H new ATOM 0 HA SER A 13 68.431 -3.090 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.544 -5.504 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.966 -4.866 -1.666 1.00 0.00 H new ATOM 0 HG SER A 13 68.315 -4.997 -3.216 1.00 0.00 H new ATOM 226 N LEU A 14 67.123 -1.341 -2.377 1.00 0.00 N ATOM 227 CA LEU A 14 66.435 -0.070 -2.755 1.00 0.00 C ATOM 228 C LEU A 14 66.602 0.199 -4.256 1.00 0.00 C ATOM 229 O LEU A 14 67.702 0.207 -4.769 1.00 0.00 O ATOM 230 CB LEU A 14 67.152 0.998 -1.926 1.00 0.00 C ATOM 231 CG LEU A 14 66.333 2.288 -1.905 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.056 2.076 -1.090 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.165 3.397 -1.260 1.00 0.00 C ATOM 0 H LEU A 14 68.058 -1.456 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 14 65.362 -0.093 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.303 0.638 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.139 1.192 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 14 66.067 2.567 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.475 2.998 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.464 1.280 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.318 1.798 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.587 4.321 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.425 3.111 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 14 68.077 3.551 -1.837 1.00 0.00 H new ATOM 245 N ILE A 15 65.514 0.417 -4.959 1.00 0.00 N ATOM 246 CA ILE A 15 65.598 0.663 -6.435 1.00 0.00 C ATOM 247 C ILE A 15 65.285 2.138 -6.733 1.00 0.00 C ATOM 248 O ILE A 15 64.211 2.628 -6.409 1.00 0.00 O ATOM 249 CB ILE A 15 64.539 -0.259 -7.063 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.846 -1.722 -6.715 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.549 -0.098 -8.589 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.649 -2.601 -7.084 1.00 0.00 C ATOM 0 H ILE A 15 64.570 0.435 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 15 66.591 0.458 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 15 63.560 0.013 -6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.734 -2.055 -7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 15 65.064 -1.815 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.797 -0.753 -9.029 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.324 0.937 -8.847 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.533 -0.363 -8.976 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.870 -3.639 -6.836 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.771 -2.273 -6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.452 -2.517 -8.153 1.00 0.00 H new ATOM 264 N SER A 16 66.218 2.834 -7.343 1.00 0.00 N ATOM 265 CA SER A 16 66.033 4.295 -7.616 1.00 0.00 C ATOM 266 C SER A 16 65.451 4.529 -9.017 1.00 0.00 C ATOM 267 O SER A 16 65.578 3.697 -9.900 1.00 0.00 O ATOM 268 CB SER A 16 67.440 4.887 -7.530 1.00 0.00 C ATOM 269 OG SER A 16 67.991 4.605 -6.250 1.00 0.00 O ATOM 0 H SER A 16 67.106 2.448 -7.665 1.00 0.00 H new ATOM 0 HA SER A 16 65.338 4.751 -6.911 1.00 0.00 H new ATOM 0 HB2 SER A 16 68.072 4.466 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.405 5.964 -7.694 1.00 0.00 H new ATOM 0 HG SER A 16 68.889 4.228 -6.356 1.00 0.00 H new ATOM 275 N LYS A 17 64.829 5.677 -9.218 1.00 0.00 N ATOM 276 CA LYS A 17 64.066 5.958 -10.487 1.00 0.00 C ATOM 277 C LYS A 17 64.918 5.750 -11.750 1.00 0.00 C ATOM 278 O LYS A 17 64.389 5.693 -12.847 1.00 0.00 O ATOM 279 CB LYS A 17 63.650 7.429 -10.379 1.00 0.00 C ATOM 280 CG LYS A 17 62.647 7.764 -11.487 1.00 0.00 C ATOM 281 CD LYS A 17 62.146 9.199 -11.307 1.00 0.00 C ATOM 282 CE LYS A 17 63.233 10.182 -11.747 1.00 0.00 C ATOM 283 NZ LYS A 17 62.962 11.426 -10.973 1.00 0.00 N ATOM 0 H LYS A 17 64.819 6.443 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 17 63.222 5.275 -10.584 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.205 7.620 -9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.526 8.072 -10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.117 7.652 -12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.808 7.068 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.241 9.355 -11.894 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.883 9.375 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 17 64.228 9.792 -11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.187 10.367 -12.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 63.667 12.149 -11.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 62.010 11.777 -11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 63.019 11.221 -9.955 1.00 0.00 H new ATOM 297 N ALA A 18 66.219 5.638 -11.617 1.00 0.00 N ATOM 298 CA ALA A 18 67.084 5.414 -12.818 1.00 0.00 C ATOM 299 C ALA A 18 67.238 3.912 -13.095 1.00 0.00 C ATOM 300 O ALA A 18 68.159 3.497 -13.772 1.00 0.00 O ATOM 301 CB ALA A 18 68.437 6.031 -12.454 1.00 0.00 C ATOM 0 H ALA A 18 66.718 5.692 -10.729 1.00 0.00 H new ATOM 0 HA ALA A 18 66.659 5.860 -13.717 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.129 5.907 -13.287 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.308 7.093 -12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.838 5.533 -11.571 1.00 0.00 H new ATOM 307 N ASP A 19 66.340 3.094 -12.575 1.00 0.00 N ATOM 308 CA ASP A 19 66.455 1.603 -12.722 1.00 0.00 C ATOM 309 C ASP A 19 67.811 1.132 -12.190 1.00 0.00 C ATOM 310 O ASP A 19 68.412 0.211 -12.714 1.00 0.00 O ATOM 311 CB ASP A 19 66.316 1.304 -14.223 1.00 0.00 C ATOM 312 CG ASP A 19 64.933 1.742 -14.713 1.00 0.00 C ATOM 313 OD1 ASP A 19 63.969 1.511 -13.999 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.859 2.302 -15.795 1.00 0.00 O ATOM 0 H ASP A 19 65.523 3.404 -12.049 1.00 0.00 H new ATOM 0 HA ASP A 19 65.686 1.079 -12.154 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.092 1.828 -14.781 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.456 0.239 -14.405 1.00 0.00 H new ATOM 319 N ILE A 20 68.286 1.766 -11.144 1.00 0.00 N ATOM 320 CA ILE A 20 69.594 1.358 -10.541 1.00 0.00 C ATOM 321 C ILE A 20 69.336 0.617 -9.229 1.00 0.00 C ATOM 322 O ILE A 20 68.406 0.933 -8.510 1.00 0.00 O ATOM 323 CB ILE A 20 70.369 2.658 -10.269 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.471 3.493 -11.556 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.780 2.308 -9.774 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.124 4.846 -11.255 1.00 0.00 C ATOM 0 H ILE A 20 67.824 2.549 -10.682 1.00 0.00 H new ATOM 0 HA ILE A 20 70.156 0.697 -11.201 1.00 0.00 H new ATOM 0 HB ILE A 20 69.842 3.239 -9.512 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.057 2.956 -12.302 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.478 3.646 -11.979 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.335 3.226 -9.579 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.709 1.725 -8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.298 1.725 -10.535 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.192 5.430 -12.173 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.521 5.386 -10.525 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.124 4.686 -10.853 1.00 0.00 H new ATOM 338 N ARG A 21 70.149 -0.358 -8.913 1.00 0.00 N ATOM 339 CA ARG A 21 69.938 -1.127 -7.653 1.00 0.00 C ATOM 340 C ARG A 21 70.977 -0.720 -6.603 1.00 0.00 C ATOM 341 O ARG A 21 72.171 -0.864 -6.806 1.00 0.00 O ATOM 342 CB ARG A 21 70.113 -2.594 -8.047 1.00 0.00 C ATOM 343 CG ARG A 21 69.693 -3.492 -6.881 1.00 0.00 C ATOM 344 CD ARG A 21 69.927 -4.959 -7.253 1.00 0.00 C ATOM 345 NE ARG A 21 69.373 -5.754 -6.110 1.00 0.00 N ATOM 346 CZ ARG A 21 69.102 -7.040 -6.234 1.00 0.00 C ATOM 347 NH1 ARG A 21 69.313 -7.684 -7.360 1.00 0.00 N ATOM 348 NH2 ARG A 21 68.615 -7.688 -5.212 1.00 0.00 N ATOM 0 H ARG A 21 70.949 -0.654 -9.473 1.00 0.00 H new ATOM 0 HA ARG A 21 68.958 -0.940 -7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.511 -2.819 -8.928 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.152 -2.788 -8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.264 -3.237 -5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.642 -3.330 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.425 -5.212 -8.187 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.988 -5.163 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 21 69.202 -5.292 -5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 21 69.695 -7.190 -8.166 1.00 0.00 H new ATOM 0 HH12 ARG A 21 69.094 -8.678 -7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 21 68.448 -7.201 -4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 21 68.401 -8.682 -5.293 1.00 0.00 H new ATOM 362 N TYR A 22 70.517 -0.216 -5.486 1.00 0.00 N ATOM 363 CA TYR A 22 71.428 0.109 -4.350 1.00 0.00 C ATOM 364 C TYR A 22 71.099 -0.804 -3.169 1.00 0.00 C ATOM 365 O TYR A 22 69.973 -1.234 -3.013 1.00 0.00 O ATOM 366 CB TYR A 22 71.110 1.560 -3.986 1.00 0.00 C ATOM 367 CG TYR A 22 71.511 2.573 -5.035 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.800 3.156 -4.998 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.593 2.948 -6.051 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.174 4.113 -5.972 1.00 0.00 C ATOM 371 CE2 TYR A 22 70.968 3.905 -7.028 1.00 0.00 C ATOM 372 CZ TYR A 22 72.259 4.487 -6.987 1.00 0.00 C ATOM 373 OH TYR A 22 72.625 5.420 -7.936 1.00 0.00 O ATOM 0 H TYR A 22 69.533 -0.013 -5.312 1.00 0.00 H new ATOM 0 HA TYR A 22 72.479 -0.027 -4.603 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.039 1.649 -3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.614 1.805 -3.051 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.499 2.871 -4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.609 2.504 -6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.157 4.558 -5.941 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.271 4.190 -7.802 1.00 0.00 H new ATOM 0 HH TYR A 22 71.882 5.562 -8.559 1.00 0.00 H new ATOM 383 N GLU A 23 72.063 -1.105 -2.339 1.00 0.00 N ATOM 384 CA GLU A 23 71.770 -1.889 -1.100 1.00 0.00 C ATOM 385 C GLU A 23 72.622 -1.370 0.054 1.00 0.00 C ATOM 386 O GLU A 23 73.779 -1.046 -0.129 1.00 0.00 O ATOM 387 CB GLU A 23 72.152 -3.331 -1.440 1.00 0.00 C ATOM 388 CG GLU A 23 71.157 -3.897 -2.457 1.00 0.00 C ATOM 389 CD GLU A 23 71.353 -5.411 -2.590 1.00 0.00 C ATOM 390 OE1 GLU A 23 72.490 -5.853 -2.535 1.00 0.00 O ATOM 391 OE2 GLU A 23 70.361 -6.103 -2.744 1.00 0.00 O ATOM 0 H GLU A 23 73.041 -0.843 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 23 70.727 -1.808 -0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 23 73.163 -3.364 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 23 72.152 -3.941 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 23 70.137 -3.680 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 23 71.300 -3.416 -3.425 1.00 0.00 H new ATOM 398 N GLY A 24 72.066 -1.294 1.238 1.00 0.00 N ATOM 399 CA GLY A 24 72.830 -0.706 2.381 1.00 0.00 C ATOM 400 C GLY A 24 72.113 -0.982 3.704 1.00 0.00 C ATOM 401 O GLY A 24 71.008 -1.495 3.729 1.00 0.00 O ATOM 0 H GLY A 24 71.123 -1.611 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.834 -1.128 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.940 0.369 2.238 1.00 0.00 H new ATOM 405 N ARG A 25 72.745 -0.643 4.804 1.00 0.00 N ATOM 406 CA ARG A 25 72.109 -0.860 6.144 1.00 0.00 C ATOM 407 C ARG A 25 71.210 0.324 6.511 1.00 0.00 C ATOM 408 O ARG A 25 71.578 1.471 6.332 1.00 0.00 O ATOM 409 CB ARG A 25 73.274 -0.964 7.131 1.00 0.00 C ATOM 410 CG ARG A 25 74.069 -2.243 6.853 1.00 0.00 C ATOM 411 CD ARG A 25 74.991 -2.546 8.040 1.00 0.00 C ATOM 412 NE ARG A 25 75.990 -1.429 8.072 1.00 0.00 N ATOM 413 CZ ARG A 25 77.108 -1.526 8.764 1.00 0.00 C ATOM 414 NH1 ARG A 25 77.398 -2.603 9.459 1.00 0.00 N ATOM 415 NH2 ARG A 25 77.948 -0.527 8.760 1.00 0.00 N ATOM 0 H ARG A 25 73.675 -0.225 4.831 1.00 0.00 H new ATOM 0 HA ARG A 25 71.482 -1.751 6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.922 -0.093 7.037 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.898 -0.973 8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.388 -3.077 6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.658 -2.126 5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 25 74.427 -2.594 8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 25 75.485 -3.510 7.916 1.00 0.00 H new ATOM 0 HE ARG A 25 75.801 -0.575 7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 25 76.751 -3.391 9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 25 78.270 -2.651 9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.736 0.316 8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 25 78.817 -0.589 9.291 1.00 0.00 H new ATOM 429 N LEU A 26 70.033 0.051 7.024 1.00 0.00 N ATOM 430 CA LEU A 26 69.138 1.154 7.505 1.00 0.00 C ATOM 431 C LEU A 26 69.752 1.861 8.718 1.00 0.00 C ATOM 432 O LEU A 26 69.998 1.247 9.740 1.00 0.00 O ATOM 433 CB LEU A 26 67.845 0.444 7.929 1.00 0.00 C ATOM 434 CG LEU A 26 66.772 1.481 8.278 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.301 2.186 7.004 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.583 0.778 8.939 1.00 0.00 C ATOM 0 H LEU A 26 69.653 -0.889 7.131 1.00 0.00 H new ATOM 0 HA LEU A 26 68.979 1.911 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.492 -0.200 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.037 -0.197 8.789 1.00 0.00 H new ATOM 0 HG LEU A 26 67.191 2.217 8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.538 2.922 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 26 67.146 2.686 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.883 1.452 6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.818 1.513 9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.168 0.041 8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 26 65.916 0.278 9.849 1.00 0.00 H new ATOM 448 N TYR A 27 70.002 3.142 8.606 1.00 0.00 N ATOM 449 CA TYR A 27 70.556 3.906 9.766 1.00 0.00 C ATOM 450 C TYR A 27 69.441 4.673 10.479 1.00 0.00 C ATOM 451 O TYR A 27 69.301 4.594 11.686 1.00 0.00 O ATOM 452 CB TYR A 27 71.569 4.874 9.156 1.00 0.00 C ATOM 453 CG TYR A 27 72.370 5.629 10.190 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.068 4.924 11.202 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.422 7.043 10.149 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.816 5.633 12.173 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.173 7.752 11.121 1.00 0.00 C ATOM 458 CZ TYR A 27 73.868 7.047 12.132 1.00 0.00 C ATOM 459 OH TYR A 27 74.598 7.737 13.077 1.00 0.00 O ATOM 0 H TYR A 27 69.846 3.692 7.761 1.00 0.00 H new ATOM 0 HA TYR A 27 71.013 3.252 10.509 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.251 4.318 8.513 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.043 5.587 8.522 1.00 0.00 H new ATOM 0 HD1 TYR A 27 73.029 3.845 11.233 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.890 7.581 9.378 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.347 5.095 12.945 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.214 8.831 11.089 1.00 0.00 H new ATOM 0 HH TYR A 27 74.529 8.699 12.905 1.00 0.00 H new ATOM 469 N THR A 28 68.645 5.411 9.740 1.00 0.00 N ATOM 470 CA THR A 28 67.553 6.219 10.370 1.00 0.00 C ATOM 471 C THR A 28 66.418 6.449 9.367 1.00 0.00 C ATOM 472 O THR A 28 66.624 6.415 8.169 1.00 0.00 O ATOM 473 CB THR A 28 68.201 7.551 10.758 1.00 0.00 C ATOM 474 OG1 THR A 28 68.978 8.034 9.670 1.00 0.00 O ATOM 475 CG2 THR A 28 69.100 7.355 11.980 1.00 0.00 C ATOM 0 H THR A 28 68.706 5.488 8.725 1.00 0.00 H new ATOM 0 HA THR A 28 67.120 5.714 11.234 1.00 0.00 H new ATOM 0 HB THR A 28 67.421 8.273 10.999 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.911 7.757 9.786 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.558 8.306 12.251 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.504 6.988 12.815 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.880 6.631 11.745 1.00 0.00 H new ATOM 483 N VAL A 29 65.222 6.686 9.854 1.00 0.00 N ATOM 484 CA VAL A 29 64.057 6.898 8.940 1.00 0.00 C ATOM 485 C VAL A 29 63.129 7.984 9.510 1.00 0.00 C ATOM 486 O VAL A 29 62.973 8.106 10.711 1.00 0.00 O ATOM 487 CB VAL A 29 63.355 5.530 8.859 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.830 5.115 10.241 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.185 5.604 7.870 1.00 0.00 C ATOM 0 H VAL A 29 65.004 6.742 10.849 1.00 0.00 H new ATOM 0 HA VAL A 29 64.356 7.243 7.950 1.00 0.00 H new ATOM 0 HB VAL A 29 64.077 4.789 8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.336 4.146 10.167 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.663 5.045 10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.117 5.859 10.598 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.692 4.633 7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.471 6.356 8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.559 5.876 6.883 1.00 0.00 H new ATOM 499 N ASP A 30 62.519 8.769 8.653 1.00 0.00 N ATOM 500 CA ASP A 30 61.562 9.813 9.124 1.00 0.00 C ATOM 501 C ASP A 30 60.226 9.663 8.377 1.00 0.00 C ATOM 502 O ASP A 30 60.103 10.127 7.258 1.00 0.00 O ATOM 503 CB ASP A 30 62.228 11.146 8.774 1.00 0.00 C ATOM 504 CG ASP A 30 61.656 12.252 9.661 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.451 12.439 9.637 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.433 12.893 10.350 1.00 0.00 O ATOM 0 H ASP A 30 62.646 8.728 7.642 1.00 0.00 H new ATOM 0 HA ASP A 30 61.347 9.737 10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.306 11.074 8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.059 11.384 7.724 1.00 0.00 H new ATOM 511 N PRO A 31 59.261 9.015 9.013 1.00 0.00 N ATOM 512 CA PRO A 31 57.960 8.734 8.340 1.00 0.00 C ATOM 513 C PRO A 31 57.275 10.034 7.902 1.00 0.00 C ATOM 514 O PRO A 31 56.747 10.127 6.809 1.00 0.00 O ATOM 515 CB PRO A 31 57.131 8.013 9.408 1.00 0.00 C ATOM 516 CG PRO A 31 58.114 7.546 10.432 1.00 0.00 C ATOM 517 CD PRO A 31 59.281 8.490 10.389 1.00 0.00 C ATOM 0 HA PRO A 31 58.081 8.140 7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.393 8.683 9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 31 56.583 7.174 8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.662 7.538 11.424 1.00 0.00 H new ATOM 0 HG3 PRO A 31 58.436 6.526 10.220 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.176 9.289 11.123 1.00 0.00 H new ATOM 0 HD3 PRO A 31 60.218 7.977 10.608 1.00 0.00 H new ATOM 525 N GLN A 32 57.292 11.040 8.739 1.00 0.00 N ATOM 526 CA GLN A 32 56.475 12.264 8.457 1.00 0.00 C ATOM 527 C GLN A 32 57.203 13.167 7.454 1.00 0.00 C ATOM 528 O GLN A 32 56.582 13.941 6.748 1.00 0.00 O ATOM 529 CB GLN A 32 56.301 12.967 9.805 1.00 0.00 C ATOM 530 CG GLN A 32 55.290 14.108 9.661 1.00 0.00 C ATOM 531 CD GLN A 32 55.105 14.808 11.010 1.00 0.00 C ATOM 532 OE1 GLN A 32 55.167 14.181 12.049 1.00 0.00 O ATOM 533 NE2 GLN A 32 54.879 16.093 11.038 1.00 0.00 N ATOM 0 H GLN A 32 57.833 11.069 9.603 1.00 0.00 H new ATOM 0 HA GLN A 32 55.510 12.018 8.015 1.00 0.00 H new ATOM 0 HB2 GLN A 32 55.958 12.256 10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 32 57.259 13.357 10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 32 55.637 14.822 8.915 1.00 0.00 H new ATOM 0 HG3 GLN A 32 54.335 13.718 9.309 1.00 0.00 H new ATOM 0 HE21 GLN A 32 54.827 16.621 10.167 1.00 0.00 H new ATOM 0 HE22 GLN A 32 54.755 16.570 11.931 1.00 0.00 H new ATOM 542 N GLU A 33 58.509 13.075 7.384 1.00 0.00 N ATOM 543 CA GLU A 33 59.262 13.823 6.329 1.00 0.00 C ATOM 544 C GLU A 33 59.358 13.004 5.027 1.00 0.00 C ATOM 545 O GLU A 33 59.962 13.446 4.067 1.00 0.00 O ATOM 546 CB GLU A 33 60.656 14.052 6.917 1.00 0.00 C ATOM 547 CG GLU A 33 60.559 15.013 8.106 1.00 0.00 C ATOM 548 CD GLU A 33 61.962 15.314 8.642 1.00 0.00 C ATOM 549 OE1 GLU A 33 62.863 15.480 7.836 1.00 0.00 O ATOM 550 OE2 GLU A 33 62.110 15.375 9.852 1.00 0.00 O ATOM 0 H GLU A 33 59.086 12.515 8.012 1.00 0.00 H new ATOM 0 HA GLU A 33 58.764 14.757 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.087 13.104 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.320 14.464 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 33 60.070 15.938 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 33 59.945 14.573 8.892 1.00 0.00 H new ATOM 557 N CYS A 34 58.769 11.818 4.979 1.00 0.00 N ATOM 558 CA CYS A 34 58.882 10.940 3.760 1.00 0.00 C ATOM 559 C CYS A 34 60.347 10.792 3.314 1.00 0.00 C ATOM 560 O CYS A 34 60.645 10.774 2.132 1.00 0.00 O ATOM 561 CB CYS A 34 58.057 11.645 2.679 1.00 0.00 C ATOM 562 SG CYS A 34 56.296 11.352 2.977 1.00 0.00 S ATOM 0 H CYS A 34 58.213 11.423 5.738 1.00 0.00 H new ATOM 0 HA CYS A 34 58.521 9.931 3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.265 12.715 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.337 11.274 1.693 1.00 0.00 H new ATOM 0 HG CYS A 34 55.595 11.952 2.061 1.00 0.00 H new ATOM 568 N THR A 35 61.260 10.686 4.251 1.00 0.00 N ATOM 569 CA THR A 35 62.711 10.649 3.887 1.00 0.00 C ATOM 570 C THR A 35 63.431 9.560 4.679 1.00 0.00 C ATOM 571 O THR A 35 63.009 9.186 5.756 1.00 0.00 O ATOM 572 CB THR A 35 63.256 12.032 4.259 1.00 0.00 C ATOM 573 OG1 THR A 35 62.765 12.410 5.538 1.00 0.00 O ATOM 574 CG2 THR A 35 62.812 13.058 3.214 1.00 0.00 C ATOM 0 H THR A 35 61.063 10.624 5.250 1.00 0.00 H new ATOM 0 HA THR A 35 62.861 10.424 2.831 1.00 0.00 H new ATOM 0 HB THR A 35 64.345 11.995 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.116 13.294 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.201 14.041 3.481 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.195 12.770 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.723 13.095 3.181 1.00 0.00 H new ATOM 582 N ILE A 36 64.514 9.049 4.151 1.00 0.00 N ATOM 583 CA ILE A 36 65.291 7.999 4.882 1.00 0.00 C ATOM 584 C ILE A 36 66.792 8.195 4.651 1.00 0.00 C ATOM 585 O ILE A 36 67.200 8.871 3.726 1.00 0.00 O ATOM 586 CB ILE A 36 64.816 6.651 4.307 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.039 6.609 2.786 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.326 6.462 4.605 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.854 5.177 2.281 1.00 0.00 C ATOM 0 H ILE A 36 64.896 9.314 3.243 1.00 0.00 H new ATOM 0 HA ILE A 36 65.128 8.047 5.959 1.00 0.00 H new ATOM 0 HB ILE A 36 65.391 5.850 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.336 7.275 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.041 6.964 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.992 5.508 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.166 6.472 5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.758 7.271 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.012 5.148 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.575 4.522 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.843 4.839 2.509 1.00 0.00 H new ATOM 601 N ALA A 37 67.611 7.609 5.487 1.00 0.00 N ATOM 602 CA ALA A 37 69.087 7.670 5.271 1.00 0.00 C ATOM 603 C ALA A 37 69.703 6.295 5.531 1.00 0.00 C ATOM 604 O ALA A 37 69.483 5.696 6.569 1.00 0.00 O ATOM 605 CB ALA A 37 69.606 8.697 6.280 1.00 0.00 C ATOM 0 H ALA A 37 67.318 7.088 6.314 1.00 0.00 H new ATOM 0 HA ALA A 37 69.345 7.952 4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.687 8.793 6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.136 9.662 6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.365 8.368 7.291 1.00 0.00 H new ATOM 611 N LEU A 38 70.472 5.801 4.593 1.00 0.00 N ATOM 612 CA LEU A 38 71.077 4.443 4.743 1.00 0.00 C ATOM 613 C LEU A 38 72.583 4.576 4.956 1.00 0.00 C ATOM 614 O LEU A 38 73.208 5.484 4.438 1.00 0.00 O ATOM 615 CB LEU A 38 70.787 3.722 3.421 1.00 0.00 C ATOM 616 CG LEU A 38 69.274 3.583 3.216 1.00 0.00 C ATOM 617 CD1 LEU A 38 68.998 3.057 1.806 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.704 2.601 4.245 1.00 0.00 C ATOM 0 H LEU A 38 70.708 6.283 3.726 1.00 0.00 H new ATOM 0 HA LEU A 38 70.671 3.898 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.224 4.278 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.253 2.737 3.426 1.00 0.00 H new ATOM 0 HG LEU A 38 68.801 4.557 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.923 2.958 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.402 3.754 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.473 2.084 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.628 2.503 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.177 1.627 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.900 2.973 5.251 1.00 0.00 H new ATOM 630 N SER A 39 73.170 3.680 5.708 1.00 0.00 N ATOM 631 CA SER A 39 74.632 3.779 5.995 1.00 0.00 C ATOM 632 C SER A 39 75.337 2.545 5.442 1.00 0.00 C ATOM 633 O SER A 39 74.748 1.486 5.349 1.00 0.00 O ATOM 634 CB SER A 39 74.738 3.824 7.519 1.00 0.00 C ATOM 635 OG SER A 39 74.237 2.610 8.062 1.00 0.00 O ATOM 0 H SER A 39 72.699 2.883 6.136 1.00 0.00 H new ATOM 0 HA SER A 39 75.095 4.654 5.538 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.776 3.968 7.818 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.173 4.671 7.909 1.00 0.00 H new ATOM 0 HG SER A 39 74.305 2.636 9.039 1.00 0.00 H new ATOM 641 N SER A 40 76.595 2.677 5.073 1.00 0.00 N ATOM 642 CA SER A 40 77.319 1.571 4.359 1.00 0.00 C ATOM 643 C SER A 40 76.440 0.992 3.238 1.00 0.00 C ATOM 644 O SER A 40 75.753 0.000 3.414 1.00 0.00 O ATOM 645 CB SER A 40 77.645 0.522 5.432 1.00 0.00 C ATOM 646 OG SER A 40 76.479 -0.220 5.764 1.00 0.00 O ATOM 0 H SER A 40 77.155 3.513 5.239 1.00 0.00 H new ATOM 0 HA SER A 40 78.231 1.922 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.422 -0.151 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.039 1.012 6.322 1.00 0.00 H new ATOM 0 HG SER A 40 75.729 0.084 5.211 1.00 0.00 H new ATOM 652 N VAL A 41 76.456 1.629 2.094 1.00 0.00 N ATOM 653 CA VAL A 41 75.629 1.160 0.942 1.00 0.00 C ATOM 654 C VAL A 41 76.476 1.174 -0.341 1.00 0.00 C ATOM 655 O VAL A 41 77.389 1.967 -0.481 1.00 0.00 O ATOM 656 CB VAL A 41 74.449 2.148 0.868 1.00 0.00 C ATOM 657 CG1 VAL A 41 74.960 3.558 0.561 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.461 1.715 -0.225 1.00 0.00 C ATOM 0 H VAL A 41 77.013 2.463 1.908 1.00 0.00 H new ATOM 0 HA VAL A 41 75.270 0.138 1.060 1.00 0.00 H new ATOM 0 HB VAL A 41 73.940 2.150 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.117 4.248 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.644 3.877 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.484 3.555 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.632 2.422 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 41 73.970 1.695 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.079 0.720 0.004 1.00 0.00 H new ATOM 668 N ARG A 42 76.177 0.300 -1.269 1.00 0.00 N ATOM 669 CA ARG A 42 76.934 0.272 -2.559 1.00 0.00 C ATOM 670 C ARG A 42 75.965 0.107 -3.736 1.00 0.00 C ATOM 671 O ARG A 42 74.890 -0.445 -3.587 1.00 0.00 O ATOM 672 CB ARG A 42 77.887 -0.930 -2.449 1.00 0.00 C ATOM 673 CG ARG A 42 77.095 -2.231 -2.253 1.00 0.00 C ATOM 674 CD ARG A 42 78.066 -3.377 -1.946 1.00 0.00 C ATOM 675 NE ARG A 42 77.220 -4.614 -1.907 1.00 0.00 N ATOM 676 CZ ARG A 42 77.660 -5.731 -1.359 1.00 0.00 C ATOM 677 NH1 ARG A 42 78.859 -5.813 -0.829 1.00 0.00 N ATOM 678 NH2 ARG A 42 76.886 -6.782 -1.346 1.00 0.00 N ATOM 0 H ARG A 42 75.438 -0.399 -1.189 1.00 0.00 H new ATOM 0 HA ARG A 42 77.484 1.196 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.497 -1.001 -3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.570 -0.784 -1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.381 -2.116 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.519 -2.458 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.839 -3.453 -2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.574 -3.218 -0.995 1.00 0.00 H new ATOM 0 HE ARG A 42 76.284 -4.592 -2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.476 -5.001 -0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 42 79.173 -6.689 -0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 42 75.953 -6.734 -1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 42 77.214 -7.652 -0.926 1.00 0.00 H new ATOM 692 N SER A 43 76.340 0.584 -4.898 1.00 0.00 N ATOM 693 CA SER A 43 75.477 0.409 -6.106 1.00 0.00 C ATOM 694 C SER A 43 76.121 -0.609 -7.053 1.00 0.00 C ATOM 695 O SER A 43 77.318 -0.583 -7.274 1.00 0.00 O ATOM 696 CB SER A 43 75.416 1.794 -6.753 1.00 0.00 C ATOM 697 OG SER A 43 76.677 2.103 -7.332 1.00 0.00 O ATOM 0 H SER A 43 77.211 1.089 -5.061 1.00 0.00 H new ATOM 0 HA SER A 43 74.481 0.037 -5.864 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.638 1.817 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.153 2.544 -6.007 1.00 0.00 H new ATOM 0 HG SER A 43 76.571 2.233 -8.298 1.00 0.00 H new ATOM 703 N PHE A 44 75.339 -1.502 -7.610 1.00 0.00 N ATOM 704 CA PHE A 44 75.936 -2.627 -8.399 1.00 0.00 C ATOM 705 C PHE A 44 76.250 -2.188 -9.833 1.00 0.00 C ATOM 706 O PHE A 44 77.261 -2.575 -10.391 1.00 0.00 O ATOM 707 CB PHE A 44 74.873 -3.727 -8.398 1.00 0.00 C ATOM 708 CG PHE A 44 74.757 -4.444 -7.074 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.544 -5.595 -6.821 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.865 -3.965 -6.085 1.00 0.00 C ATOM 711 CE1 PHE A 44 75.438 -6.265 -5.578 1.00 0.00 C ATOM 712 CE2 PHE A 44 73.758 -4.635 -4.843 1.00 0.00 C ATOM 713 CZ PHE A 44 74.545 -5.786 -4.589 1.00 0.00 C ATOM 0 H PHE A 44 74.321 -1.502 -7.554 1.00 0.00 H new ATOM 0 HA PHE A 44 76.878 -2.964 -7.966 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.907 -3.290 -8.652 1.00 0.00 H new ATOM 0 HB3 PHE A 44 75.110 -4.452 -9.177 1.00 0.00 H new ATOM 0 HD1 PHE A 44 76.224 -5.961 -7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 44 73.266 -3.088 -6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 44 76.038 -7.142 -5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 44 73.077 -4.269 -4.089 1.00 0.00 H new ATOM 0 HZ PHE A 44 74.464 -6.298 -3.641 1.00 0.00 H new ATOM 723 N GLY A 45 75.401 -1.388 -10.433 1.00 0.00 N ATOM 724 CA GLY A 45 75.710 -0.855 -11.791 1.00 0.00 C ATOM 725 C GLY A 45 74.464 -0.220 -12.402 1.00 0.00 C ATOM 726 O GLY A 45 73.364 -0.386 -11.910 1.00 0.00 O ATOM 0 H GLY A 45 74.511 -1.084 -10.040 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.510 -0.117 -11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 45 76.069 -1.659 -12.433 1.00 0.00 H new ATOM 730 N THR A 46 74.638 0.507 -13.475 1.00 0.00 N ATOM 731 CA THR A 46 73.465 1.010 -14.257 1.00 0.00 C ATOM 732 C THR A 46 73.481 0.448 -15.692 1.00 0.00 C ATOM 733 O THR A 46 72.496 0.524 -16.398 1.00 0.00 O ATOM 734 CB THR A 46 73.629 2.533 -14.278 1.00 0.00 C ATOM 735 OG1 THR A 46 74.903 2.861 -14.813 1.00 0.00 O ATOM 736 CG2 THR A 46 73.511 3.095 -12.857 1.00 0.00 C ATOM 0 H THR A 46 75.549 0.777 -13.847 1.00 0.00 H new ATOM 0 HA THR A 46 72.518 0.702 -13.813 1.00 0.00 H new ATOM 0 HB THR A 46 72.845 2.969 -14.898 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.010 3.835 -14.829 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.629 4.178 -12.883 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.532 2.846 -12.448 1.00 0.00 H new ATOM 0 HG23 THR A 46 74.288 2.660 -12.228 1.00 0.00 H new ATOM 744 N GLU A 47 74.591 -0.122 -16.120 1.00 0.00 N ATOM 745 CA GLU A 47 74.812 -0.414 -17.579 1.00 0.00 C ATOM 746 C GLU A 47 73.652 -1.209 -18.202 1.00 0.00 C ATOM 747 O GLU A 47 73.438 -1.151 -19.400 1.00 0.00 O ATOM 748 CB GLU A 47 76.102 -1.241 -17.630 1.00 0.00 C ATOM 749 CG GLU A 47 76.569 -1.378 -19.082 1.00 0.00 C ATOM 750 CD GLU A 47 77.783 -2.308 -19.147 1.00 0.00 C ATOM 751 OE1 GLU A 47 77.758 -3.330 -18.480 1.00 0.00 O ATOM 752 OE2 GLU A 47 78.715 -1.983 -19.862 1.00 0.00 O ATOM 0 H GLU A 47 75.361 -0.400 -15.512 1.00 0.00 H new ATOM 0 HA GLU A 47 74.876 0.512 -18.150 1.00 0.00 H new ATOM 0 HB2 GLU A 47 76.877 -0.761 -17.032 1.00 0.00 H new ATOM 0 HB3 GLU A 47 75.931 -2.227 -17.198 1.00 0.00 H new ATOM 0 HG2 GLU A 47 75.762 -1.774 -19.698 1.00 0.00 H new ATOM 0 HG3 GLU A 47 76.827 -0.399 -19.485 1.00 0.00 H new ATOM 759 N ASP A 48 72.909 -1.945 -17.413 1.00 0.00 N ATOM 760 CA ASP A 48 71.813 -2.787 -17.993 1.00 0.00 C ATOM 761 C ASP A 48 70.584 -1.931 -18.323 1.00 0.00 C ATOM 762 O ASP A 48 70.153 -1.868 -19.460 1.00 0.00 O ATOM 763 CB ASP A 48 71.472 -3.813 -16.909 1.00 0.00 C ATOM 764 CG ASP A 48 72.660 -4.756 -16.696 1.00 0.00 C ATOM 765 OD1 ASP A 48 73.255 -5.161 -17.682 1.00 0.00 O ATOM 766 OD2 ASP A 48 72.955 -5.055 -15.552 1.00 0.00 O ATOM 0 H ASP A 48 73.011 -2.001 -16.400 1.00 0.00 H new ATOM 0 HA ASP A 48 72.123 -3.263 -18.924 1.00 0.00 H new ATOM 0 HB2 ASP A 48 71.228 -3.303 -15.977 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.590 -4.384 -17.200 1.00 0.00 H new ATOM 771 N ARG A 49 70.020 -1.274 -17.339 1.00 0.00 N ATOM 772 CA ARG A 49 68.747 -0.513 -17.562 1.00 0.00 C ATOM 773 C ARG A 49 69.011 0.969 -17.881 1.00 0.00 C ATOM 774 O ARG A 49 68.091 1.767 -17.911 1.00 0.00 O ATOM 775 CB ARG A 49 67.971 -0.650 -16.250 1.00 0.00 C ATOM 776 CG ARG A 49 67.568 -2.114 -16.047 1.00 0.00 C ATOM 777 CD ARG A 49 66.728 -2.246 -14.772 1.00 0.00 C ATOM 778 NE ARG A 49 66.520 -3.719 -14.584 1.00 0.00 N ATOM 779 CZ ARG A 49 65.576 -4.183 -13.786 1.00 0.00 C ATOM 780 NH1 ARG A 49 64.784 -3.379 -13.114 1.00 0.00 N ATOM 781 NH2 ARG A 49 65.430 -5.474 -13.660 1.00 0.00 N ATOM 0 H ARG A 49 70.386 -1.231 -16.388 1.00 0.00 H new ATOM 0 HA ARG A 49 68.197 -0.905 -18.418 1.00 0.00 H new ATOM 0 HB2 ARG A 49 68.584 -0.311 -15.415 1.00 0.00 H new ATOM 0 HB3 ARG A 49 67.084 -0.017 -16.272 1.00 0.00 H new ATOM 0 HG2 ARG A 49 66.999 -2.467 -16.907 1.00 0.00 H new ATOM 0 HG3 ARG A 49 68.458 -2.740 -15.974 1.00 0.00 H new ATOM 0 HD2 ARG A 49 67.242 -1.809 -13.916 1.00 0.00 H new ATOM 0 HD3 ARG A 49 65.776 -1.724 -14.873 1.00 0.00 H new ATOM 0 HE ARG A 49 67.120 -4.376 -15.083 1.00 0.00 H new ATOM 0 HH11 ARG A 49 64.890 -2.368 -13.202 1.00 0.00 H new ATOM 0 HH12 ARG A 49 64.063 -3.765 -12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 49 66.041 -6.109 -14.174 1.00 0.00 H new ATOM 0 HH22 ARG A 49 64.705 -5.848 -13.047 1.00 0.00 H new ATOM 795 N ASP A 50 70.247 1.349 -18.122 1.00 0.00 N ATOM 796 CA ASP A 50 70.565 2.801 -18.317 1.00 0.00 C ATOM 797 C ASP A 50 70.528 3.182 -19.802 1.00 0.00 C ATOM 798 O ASP A 50 70.362 2.344 -20.668 1.00 0.00 O ATOM 799 CB ASP A 50 71.974 3.004 -17.734 1.00 0.00 C ATOM 800 CG ASP A 50 73.025 2.220 -18.539 1.00 0.00 C ATOM 801 OD1 ASP A 50 72.661 1.240 -19.169 1.00 0.00 O ATOM 802 OD2 ASP A 50 74.177 2.620 -18.511 1.00 0.00 O ATOM 0 H ASP A 50 71.045 0.718 -18.192 1.00 0.00 H new ATOM 0 HA ASP A 50 69.831 3.436 -17.821 1.00 0.00 H new ATOM 0 HB2 ASP A 50 72.224 4.065 -17.740 1.00 0.00 H new ATOM 0 HB3 ASP A 50 71.991 2.678 -16.694 1.00 0.00 H new ATOM 807 N THR A 51 70.683 4.452 -20.086 1.00 0.00 N ATOM 808 CA THR A 51 70.709 4.926 -21.504 1.00 0.00 C ATOM 809 C THR A 51 72.078 4.642 -22.119 1.00 0.00 C ATOM 810 O THR A 51 73.036 4.371 -21.419 1.00 0.00 O ATOM 811 CB THR A 51 70.453 6.434 -21.435 1.00 0.00 C ATOM 812 OG1 THR A 51 69.322 6.682 -20.613 1.00 0.00 O ATOM 813 CG2 THR A 51 70.191 6.973 -22.842 1.00 0.00 C ATOM 0 H THR A 51 70.794 5.188 -19.388 1.00 0.00 H new ATOM 0 HA THR A 51 69.965 4.422 -22.121 1.00 0.00 H new ATOM 0 HB THR A 51 71.326 6.933 -21.014 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.157 7.647 -20.566 1.00 0.00 H new ATOM 0 HG21 THR A 51 70.009 8.047 -22.792 1.00 0.00 H new ATOM 0 HG22 THR A 51 71.059 6.781 -23.473 1.00 0.00 H new ATOM 0 HG23 THR A 51 69.318 6.476 -23.265 1.00 0.00 H new ATOM 821 N GLN A 52 72.176 4.706 -23.425 1.00 0.00 N ATOM 822 CA GLN A 52 73.451 4.310 -24.111 1.00 0.00 C ATOM 823 C GLN A 52 74.522 5.408 -23.997 1.00 0.00 C ATOM 824 O GLN A 52 75.535 5.355 -24.671 1.00 0.00 O ATOM 825 CB GLN A 52 73.087 4.076 -25.590 1.00 0.00 C ATOM 826 CG GLN A 52 72.437 5.327 -26.200 1.00 0.00 C ATOM 827 CD GLN A 52 72.578 5.283 -27.724 1.00 0.00 C ATOM 828 OE1 GLN A 52 73.586 4.846 -28.241 1.00 0.00 O ATOM 829 NE2 GLN A 52 71.601 5.723 -28.469 1.00 0.00 N ATOM 0 H GLN A 52 71.429 5.015 -24.047 1.00 0.00 H new ATOM 0 HA GLN A 52 73.872 3.418 -23.648 1.00 0.00 H new ATOM 0 HB2 GLN A 52 73.984 3.816 -26.153 1.00 0.00 H new ATOM 0 HB3 GLN A 52 72.404 3.230 -25.671 1.00 0.00 H new ATOM 0 HG2 GLN A 52 71.384 5.375 -25.923 1.00 0.00 H new ATOM 0 HG3 GLN A 52 72.912 6.226 -25.806 1.00 0.00 H new ATOM 0 HE21 GLN A 52 70.754 6.090 -28.035 1.00 0.00 H new ATOM 0 HE22 GLN A 52 71.684 5.700 -29.485 1.00 0.00 H new ATOM 838 N PHE A 53 74.314 6.400 -23.160 1.00 0.00 N ATOM 839 CA PHE A 53 75.413 7.364 -22.852 1.00 0.00 C ATOM 840 C PHE A 53 76.199 6.879 -21.629 1.00 0.00 C ATOM 841 O PHE A 53 75.636 6.330 -20.700 1.00 0.00 O ATOM 842 CB PHE A 53 74.709 8.693 -22.566 1.00 0.00 C ATOM 843 CG PHE A 53 74.391 9.501 -23.811 1.00 0.00 C ATOM 844 CD1 PHE A 53 73.989 8.854 -25.011 1.00 0.00 C ATOM 845 CD2 PHE A 53 74.491 10.914 -23.773 1.00 0.00 C ATOM 846 CE1 PHE A 53 73.692 9.621 -26.164 1.00 0.00 C ATOM 847 CE2 PHE A 53 74.194 11.679 -24.928 1.00 0.00 C ATOM 848 CZ PHE A 53 73.794 11.032 -26.122 1.00 0.00 C ATOM 0 H PHE A 53 73.432 6.580 -22.680 1.00 0.00 H new ATOM 0 HA PHE A 53 76.129 7.462 -23.668 1.00 0.00 H new ATOM 0 HB2 PHE A 53 73.782 8.494 -22.028 1.00 0.00 H new ATOM 0 HB3 PHE A 53 75.338 9.292 -21.907 1.00 0.00 H new ATOM 0 HD1 PHE A 53 73.910 7.777 -25.044 1.00 0.00 H new ATOM 0 HD2 PHE A 53 74.794 11.409 -22.862 1.00 0.00 H new ATOM 0 HE1 PHE A 53 73.387 9.129 -27.076 1.00 0.00 H new ATOM 0 HE2 PHE A 53 74.273 12.756 -24.898 1.00 0.00 H new ATOM 0 HZ PHE A 53 73.566 11.616 -27.002 1.00 0.00 H new ATOM 858 N GLN A 54 77.495 7.080 -21.628 1.00 0.00 N ATOM 859 CA GLN A 54 78.359 6.460 -20.568 1.00 0.00 C ATOM 860 C GLN A 54 78.040 7.047 -19.188 1.00 0.00 C ATOM 861 O GLN A 54 77.809 8.234 -19.047 1.00 0.00 O ATOM 862 CB GLN A 54 79.799 6.799 -20.967 1.00 0.00 C ATOM 863 CG GLN A 54 80.151 6.081 -22.273 1.00 0.00 C ATOM 864 CD GLN A 54 81.618 6.340 -22.619 1.00 0.00 C ATOM 865 OE1 GLN A 54 82.504 5.716 -22.069 1.00 0.00 O ATOM 866 NE2 GLN A 54 81.915 7.242 -23.514 1.00 0.00 N ATOM 0 H GLN A 54 77.994 7.646 -22.314 1.00 0.00 H new ATOM 0 HA GLN A 54 78.194 5.385 -20.498 1.00 0.00 H new ATOM 0 HB2 GLN A 54 79.909 7.876 -21.091 1.00 0.00 H new ATOM 0 HB3 GLN A 54 80.487 6.497 -20.177 1.00 0.00 H new ATOM 0 HG2 GLN A 54 79.974 5.010 -22.171 1.00 0.00 H new ATOM 0 HG3 GLN A 54 79.508 6.435 -23.079 1.00 0.00 H new ATOM 0 HE21 GLN A 54 81.172 7.766 -23.976 1.00 0.00 H new ATOM 0 HE22 GLN A 54 82.890 7.423 -23.752 1.00 0.00 H new ATOM 875 N ILE A 55 78.027 6.213 -18.175 1.00 0.00 N ATOM 876 CA ILE A 55 77.804 6.709 -16.778 1.00 0.00 C ATOM 877 C ILE A 55 79.010 6.335 -15.906 1.00 0.00 C ATOM 878 O ILE A 55 79.576 5.267 -16.045 1.00 0.00 O ATOM 879 CB ILE A 55 76.530 6.000 -16.286 1.00 0.00 C ATOM 880 CG1 ILE A 55 75.352 6.359 -17.203 1.00 0.00 C ATOM 881 CG2 ILE A 55 76.205 6.451 -14.856 1.00 0.00 C ATOM 882 CD1 ILE A 55 74.158 5.456 -16.885 1.00 0.00 C ATOM 0 H ILE A 55 78.162 5.205 -18.256 1.00 0.00 H new ATOM 0 HA ILE A 55 77.692 7.792 -16.732 1.00 0.00 H new ATOM 0 HB ILE A 55 76.695 4.923 -16.302 1.00 0.00 H new ATOM 0 HG12 ILE A 55 75.077 7.405 -17.065 1.00 0.00 H new ATOM 0 HG13 ILE A 55 75.642 6.241 -18.247 1.00 0.00 H new ATOM 0 HG21 ILE A 55 75.302 5.947 -14.512 1.00 0.00 H new ATOM 0 HG22 ILE A 55 77.036 6.198 -14.197 1.00 0.00 H new ATOM 0 HG23 ILE A 55 76.046 7.529 -14.842 1.00 0.00 H new ATOM 0 HD11 ILE A 55 73.323 5.713 -17.537 1.00 0.00 H new ATOM 0 HD12 ILE A 55 74.437 4.414 -17.046 1.00 0.00 H new ATOM 0 HD13 ILE A 55 73.862 5.596 -15.845 1.00 0.00 H new ATOM 894 N ALA A 56 79.401 7.209 -15.010 1.00 0.00 N ATOM 895 CA ALA A 56 80.580 6.919 -14.128 1.00 0.00 C ATOM 896 C ALA A 56 80.261 5.745 -13.182 1.00 0.00 C ATOM 897 O ALA A 56 79.420 5.883 -12.313 1.00 0.00 O ATOM 898 CB ALA A 56 80.808 8.201 -13.322 1.00 0.00 C ATOM 0 H ALA A 56 78.955 8.112 -14.850 1.00 0.00 H new ATOM 0 HA ALA A 56 81.461 6.638 -14.705 1.00 0.00 H new ATOM 0 HB1 ALA A 56 81.657 8.064 -12.653 1.00 0.00 H new ATOM 0 HB2 ALA A 56 81.012 9.027 -14.003 1.00 0.00 H new ATOM 0 HB3 ALA A 56 79.917 8.426 -12.736 1.00 0.00 H new ATOM 904 N PRO A 57 80.936 4.621 -13.370 1.00 0.00 N ATOM 905 CA PRO A 57 80.680 3.431 -12.512 1.00 0.00 C ATOM 906 C PRO A 57 81.049 3.728 -11.052 1.00 0.00 C ATOM 907 O PRO A 57 82.024 4.404 -10.777 1.00 0.00 O ATOM 908 CB PRO A 57 81.589 2.339 -13.091 1.00 0.00 C ATOM 909 CG PRO A 57 82.030 2.847 -14.428 1.00 0.00 C ATOM 910 CD PRO A 57 81.977 4.346 -14.371 1.00 0.00 C ATOM 0 HA PRO A 57 79.630 3.138 -12.510 1.00 0.00 H new ATOM 0 HB2 PRO A 57 82.444 2.155 -12.440 1.00 0.00 H new ATOM 0 HB3 PRO A 57 81.054 1.394 -13.188 1.00 0.00 H new ATOM 0 HG2 PRO A 57 83.040 2.506 -14.656 1.00 0.00 H new ATOM 0 HG3 PRO A 57 81.380 2.468 -15.217 1.00 0.00 H new ATOM 0 HD2 PRO A 57 82.937 4.770 -14.077 1.00 0.00 H new ATOM 0 HD3 PRO A 57 81.723 4.775 -15.341 1.00 0.00 H new ATOM 918 N GLN A 58 80.274 3.228 -10.121 1.00 0.00 N ATOM 919 CA GLN A 58 80.574 3.462 -8.675 1.00 0.00 C ATOM 920 C GLN A 58 81.087 2.173 -8.026 1.00 0.00 C ATOM 921 O GLN A 58 80.334 1.245 -7.795 1.00 0.00 O ATOM 922 CB GLN A 58 79.239 3.879 -8.056 1.00 0.00 C ATOM 923 CG GLN A 58 78.820 5.242 -8.609 1.00 0.00 C ATOM 924 CD GLN A 58 77.494 5.667 -7.974 1.00 0.00 C ATOM 925 OE1 GLN A 58 77.454 6.056 -6.824 1.00 0.00 O ATOM 926 NE2 GLN A 58 76.398 5.607 -8.680 1.00 0.00 N ATOM 0 H GLN A 58 79.443 2.665 -10.302 1.00 0.00 H new ATOM 0 HA GLN A 58 81.345 4.219 -8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 58 78.475 3.134 -8.279 1.00 0.00 H new ATOM 0 HB3 GLN A 58 79.329 3.928 -6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 58 79.590 5.984 -8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 58 78.716 5.190 -9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 58 76.431 5.280 -9.646 1.00 0.00 H new ATOM 0 HE22 GLN A 58 75.509 5.887 -8.266 1.00 0.00 H new ATOM 935 N SER A 59 82.364 2.114 -7.733 1.00 0.00 N ATOM 936 CA SER A 59 82.938 0.894 -7.087 1.00 0.00 C ATOM 937 C SER A 59 83.177 1.148 -5.596 1.00 0.00 C ATOM 938 O SER A 59 83.026 0.260 -4.776 1.00 0.00 O ATOM 939 CB SER A 59 84.263 0.651 -7.809 1.00 0.00 C ATOM 940 OG SER A 59 84.722 -0.662 -7.516 1.00 0.00 O ATOM 0 H SER A 59 83.034 2.861 -7.914 1.00 0.00 H new ATOM 0 HA SER A 59 82.271 0.035 -7.159 1.00 0.00 H new ATOM 0 HB2 SER A 59 84.132 0.772 -8.884 1.00 0.00 H new ATOM 0 HB3 SER A 59 85.003 1.387 -7.493 1.00 0.00 H new ATOM 0 HG SER A 59 85.571 -0.823 -7.978 1.00 0.00 H new ATOM 946 N GLN A 60 83.550 2.356 -5.243 1.00 0.00 N ATOM 947 CA GLN A 60 83.816 2.684 -3.802 1.00 0.00 C ATOM 948 C GLN A 60 82.541 2.520 -2.967 1.00 0.00 C ATOM 949 O GLN A 60 81.440 2.571 -3.485 1.00 0.00 O ATOM 950 CB GLN A 60 84.270 4.147 -3.794 1.00 0.00 C ATOM 951 CG GLN A 60 85.614 4.271 -4.516 1.00 0.00 C ATOM 952 CD GLN A 60 86.051 5.738 -4.539 1.00 0.00 C ATOM 953 OE1 GLN A 60 85.233 6.628 -4.665 1.00 0.00 O ATOM 954 NE2 GLN A 60 87.318 6.030 -4.422 1.00 0.00 N ATOM 0 H GLN A 60 83.682 3.132 -5.892 1.00 0.00 H new ATOM 0 HA GLN A 60 84.566 2.021 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 60 83.524 4.773 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 60 84.362 4.504 -2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 60 86.366 3.665 -4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 60 85.528 3.891 -5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 60 88.006 5.284 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 60 87.620 7.004 -4.436 1.00 0.00 H new ATOM 963 N ILE A 61 82.688 2.323 -1.679 1.00 0.00 N ATOM 964 CA ILE A 61 81.492 2.174 -0.791 1.00 0.00 C ATOM 965 C ILE A 61 81.167 3.520 -0.132 1.00 0.00 C ATOM 966 O ILE A 61 82.051 4.225 0.320 1.00 0.00 O ATOM 967 CB ILE A 61 81.901 1.137 0.271 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.351 -0.179 -0.401 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.718 0.854 1.207 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.223 -0.764 -1.264 1.00 0.00 C ATOM 0 H ILE A 61 83.588 2.259 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 61 80.604 1.858 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 61 82.733 1.542 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.230 0.005 -1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.643 -0.901 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 61 81.014 0.119 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.418 1.777 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.881 0.464 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.562 -1.690 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.355 -0.969 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 61 80.950 -0.049 -2.040 1.00 0.00 H new ATOM 982 N TYR A 62 79.907 3.877 -0.076 1.00 0.00 N ATOM 983 CA TYR A 62 79.519 5.194 0.516 1.00 0.00 C ATOM 984 C TYR A 62 79.119 5.021 1.984 1.00 0.00 C ATOM 985 O TYR A 62 78.162 4.335 2.295 1.00 0.00 O ATOM 986 CB TYR A 62 78.322 5.660 -0.311 1.00 0.00 C ATOM 987 CG TYR A 62 78.669 5.968 -1.748 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.344 7.171 -2.072 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.320 5.056 -2.773 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.670 7.461 -3.419 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.646 5.345 -4.121 1.00 0.00 C ATOM 992 CZ TYR A 62 79.320 6.548 -4.444 1.00 0.00 C ATOM 993 OH TYR A 62 79.638 6.830 -5.756 1.00 0.00 O ATOM 0 H TYR A 62 79.129 3.311 -0.416 1.00 0.00 H new ATOM 0 HA TYR A 62 80.338 5.913 0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.552 4.889 -0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.895 6.550 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.610 7.867 -1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.805 4.139 -2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 62 80.185 8.378 -3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.381 4.648 -4.902 1.00 0.00 H new ATOM 0 HH TYR A 62 78.815 6.959 -6.272 1.00 0.00 H new ATOM 1003 N ASP A 63 79.851 5.638 2.884 1.00 0.00 N ATOM 1004 CA ASP A 63 79.498 5.577 4.346 1.00 0.00 C ATOM 1005 C ASP A 63 78.029 5.954 4.590 1.00 0.00 C ATOM 1006 O ASP A 63 77.352 5.346 5.399 1.00 0.00 O ATOM 1007 CB ASP A 63 80.413 6.609 5.016 1.00 0.00 C ATOM 1008 CG ASP A 63 81.869 6.143 4.925 1.00 0.00 C ATOM 1009 OD1 ASP A 63 82.110 4.965 5.131 1.00 0.00 O ATOM 1010 OD2 ASP A 63 82.719 6.974 4.650 1.00 0.00 O ATOM 0 H ASP A 63 80.684 6.186 2.669 1.00 0.00 H new ATOM 0 HA ASP A 63 79.629 4.569 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.300 7.579 4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.127 6.740 6.060 1.00 0.00 H new ATOM 1015 N TYR A 64 77.538 6.952 3.894 1.00 0.00 N ATOM 1016 CA TYR A 64 76.156 7.457 4.163 1.00 0.00 C ATOM 1017 C TYR A 64 75.559 8.075 2.896 1.00 0.00 C ATOM 1018 O TYR A 64 76.180 8.895 2.244 1.00 0.00 O ATOM 1019 CB TYR A 64 76.335 8.528 5.242 1.00 0.00 C ATOM 1020 CG TYR A 64 75.042 8.989 5.882 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.064 9.670 5.112 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.814 8.749 7.260 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.863 10.108 5.721 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.611 9.188 7.865 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.637 9.867 7.096 1.00 0.00 C ATOM 1026 OH TYR A 64 71.465 10.294 7.688 1.00 0.00 O ATOM 0 H TYR A 64 78.037 7.439 3.150 1.00 0.00 H new ATOM 0 HA TYR A 64 75.480 6.662 4.477 1.00 0.00 H new ATOM 0 HB2 TYR A 64 76.993 8.138 6.019 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.837 9.390 4.802 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.236 9.854 4.062 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.557 8.232 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.119 10.627 5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.437 9.004 8.915 1.00 0.00 H new ATOM 0 HH TYR A 64 71.469 10.047 8.636 1.00 0.00 H new ATOM 1036 N ILE A 65 74.358 7.683 2.545 1.00 0.00 N ATOM 1037 CA ILE A 65 73.628 8.373 1.432 1.00 0.00 C ATOM 1038 C ILE A 65 72.214 8.752 1.894 1.00 0.00 C ATOM 1039 O ILE A 65 71.466 7.919 2.375 1.00 0.00 O ATOM 1040 CB ILE A 65 73.580 7.364 0.269 1.00 0.00 C ATOM 1041 CG1 ILE A 65 75.013 7.032 -0.179 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.806 7.971 -0.913 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.988 5.978 -1.292 1.00 0.00 C ATOM 0 H ILE A 65 73.850 6.914 2.981 1.00 0.00 H new ATOM 0 HA ILE A 65 74.122 9.295 1.126 1.00 0.00 H new ATOM 0 HB ILE A 65 73.079 6.455 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.509 7.935 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.591 6.663 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.774 7.254 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.790 8.208 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.305 8.881 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 65 76.008 5.751 -1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.510 5.070 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.428 6.362 -2.144 1.00 0.00 H new ATOM 1055 N LEU A 66 71.852 10.005 1.751 1.00 0.00 N ATOM 1056 CA LEU A 66 70.464 10.442 2.097 1.00 0.00 C ATOM 1057 C LEU A 66 69.562 10.331 0.865 1.00 0.00 C ATOM 1058 O LEU A 66 69.949 10.695 -0.231 1.00 0.00 O ATOM 1059 CB LEU A 66 70.600 11.904 2.539 1.00 0.00 C ATOM 1060 CG LEU A 66 69.252 12.416 3.054 1.00 0.00 C ATOM 1061 CD1 LEU A 66 68.984 11.853 4.453 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.280 13.945 3.118 1.00 0.00 C ATOM 0 H LEU A 66 72.462 10.747 1.408 1.00 0.00 H new ATOM 0 HA LEU A 66 70.017 9.827 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.355 11.989 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.937 12.517 1.703 1.00 0.00 H new ATOM 0 HG LEU A 66 68.461 12.091 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.024 12.220 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.963 10.764 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.774 12.174 5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.321 14.311 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.073 14.266 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.466 14.348 2.122 1.00 0.00 H new ATOM 1074 N PHE A 67 68.363 9.831 1.040 1.00 0.00 N ATOM 1075 CA PHE A 67 67.463 9.593 -0.129 1.00 0.00 C ATOM 1076 C PHE A 67 66.034 10.043 0.191 1.00 0.00 C ATOM 1077 O PHE A 67 65.496 9.725 1.234 1.00 0.00 O ATOM 1078 CB PHE A 67 67.509 8.082 -0.355 1.00 0.00 C ATOM 1079 CG PHE A 67 68.624 7.633 -1.270 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.821 8.279 -2.515 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.458 6.553 -0.891 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.851 7.843 -3.380 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.492 6.121 -1.756 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.689 6.766 -3.001 1.00 0.00 C ATOM 0 H PHE A 67 67.969 9.577 1.946 1.00 0.00 H new ATOM 0 HA PHE A 67 67.777 10.153 -1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.620 7.584 0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.556 7.758 -0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.185 9.103 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.305 6.059 0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.999 8.332 -4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 67 71.131 5.300 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.478 6.437 -3.661 1.00 0.00 H new ATOM 1094 N ARG A 68 65.422 10.783 -0.703 1.00 0.00 N ATOM 1095 CA ARG A 68 63.981 11.142 -0.531 1.00 0.00 C ATOM 1096 C ARG A 68 63.088 10.093 -1.205 1.00 0.00 C ATOM 1097 O ARG A 68 63.456 9.499 -2.206 1.00 0.00 O ATOM 1098 CB ARG A 68 63.819 12.500 -1.219 1.00 0.00 C ATOM 1099 CG ARG A 68 64.614 13.562 -0.455 1.00 0.00 C ATOM 1100 CD ARG A 68 64.399 14.931 -1.108 1.00 0.00 C ATOM 1101 NE ARG A 68 62.971 15.287 -0.825 1.00 0.00 N ATOM 1102 CZ ARG A 68 62.351 16.235 -1.503 1.00 0.00 C ATOM 1103 NH1 ARG A 68 62.957 16.913 -2.451 1.00 0.00 N ATOM 1104 NH2 ARG A 68 61.105 16.506 -1.224 1.00 0.00 N ATOM 0 H ARG A 68 65.861 11.154 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 68 63.692 11.181 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.169 12.441 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.765 12.777 -1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.295 13.590 0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.674 13.309 -0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 68 65.079 15.675 -0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 68 64.588 14.889 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 68 62.467 14.786 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 68 63.931 16.712 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 68 62.454 17.640 -2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 68 60.622 15.988 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 68 60.614 17.236 -1.740 1.00 0.00 H new ATOM 1118 N GLY A 69 61.915 9.861 -0.665 1.00 0.00 N ATOM 1119 CA GLY A 69 60.978 8.861 -1.272 1.00 0.00 C ATOM 1120 C GLY A 69 60.636 9.252 -2.719 1.00 0.00 C ATOM 1121 O GLY A 69 60.300 8.407 -3.530 1.00 0.00 O ATOM 0 H GLY A 69 61.564 10.323 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.433 7.871 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.065 8.803 -0.679 1.00 0.00 H new ATOM 1125 N SER A 70 60.719 10.521 -3.047 1.00 0.00 N ATOM 1126 CA SER A 70 60.344 10.975 -4.426 1.00 0.00 C ATOM 1127 C SER A 70 61.334 10.436 -5.466 1.00 0.00 C ATOM 1128 O SER A 70 60.946 10.063 -6.559 1.00 0.00 O ATOM 1129 CB SER A 70 60.401 12.503 -4.380 1.00 0.00 C ATOM 1130 OG SER A 70 61.750 12.918 -4.208 1.00 0.00 O ATOM 0 H SER A 70 61.030 11.262 -2.419 1.00 0.00 H new ATOM 0 HA SER A 70 59.358 10.611 -4.713 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.994 12.921 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.786 12.877 -3.561 1.00 0.00 H new ATOM 0 HG SER A 70 61.790 13.897 -4.180 1.00 0.00 H new ATOM 1136 N ASP A 71 62.605 10.390 -5.138 1.00 0.00 N ATOM 1137 CA ASP A 71 63.628 9.970 -6.150 1.00 0.00 C ATOM 1138 C ASP A 71 63.711 8.440 -6.240 1.00 0.00 C ATOM 1139 O ASP A 71 63.974 7.892 -7.295 1.00 0.00 O ATOM 1140 CB ASP A 71 64.963 10.576 -5.680 1.00 0.00 C ATOM 1141 CG ASP A 71 65.350 10.038 -4.297 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.687 8.870 -4.210 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.308 10.807 -3.353 1.00 0.00 O ATOM 0 H ASP A 71 62.977 10.624 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 71 63.369 10.320 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.747 10.340 -6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.881 11.662 -5.642 1.00 0.00 H new ATOM 1148 N ILE A 72 63.489 7.751 -5.147 1.00 0.00 N ATOM 1149 CA ILE A 72 63.489 6.254 -5.185 1.00 0.00 C ATOM 1150 C ILE A 72 62.052 5.728 -5.070 1.00 0.00 C ATOM 1151 O ILE A 72 61.281 6.170 -4.239 1.00 0.00 O ATOM 1152 CB ILE A 72 64.387 5.840 -4.005 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.850 5.978 -4.447 1.00 0.00 C ATOM 1154 CG2 ILE A 72 64.125 4.385 -3.584 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.737 6.249 -3.235 1.00 0.00 C ATOM 0 H ILE A 72 63.308 8.160 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 72 63.869 5.837 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 72 64.169 6.482 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.174 5.067 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.946 6.790 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.775 4.125 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 72 63.084 4.276 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.330 3.721 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.774 6.346 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.420 7.173 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.652 5.422 -2.530 1.00 0.00 H new ATOM 1167 N LYS A 73 61.703 4.780 -5.907 1.00 0.00 N ATOM 1168 CA LYS A 73 60.267 4.412 -6.078 1.00 0.00 C ATOM 1169 C LYS A 73 59.946 3.040 -5.467 1.00 0.00 C ATOM 1170 O LYS A 73 58.787 2.686 -5.345 1.00 0.00 O ATOM 1171 CB LYS A 73 60.054 4.381 -7.593 1.00 0.00 C ATOM 1172 CG LYS A 73 58.557 4.288 -7.899 1.00 0.00 C ATOM 1173 CD LYS A 73 58.349 4.213 -9.412 1.00 0.00 C ATOM 1174 CE LYS A 73 56.854 4.291 -9.727 1.00 0.00 C ATOM 1175 NZ LYS A 73 56.533 5.746 -9.711 1.00 0.00 N ATOM 0 H LYS A 73 62.356 4.245 -6.480 1.00 0.00 H new ATOM 0 HA LYS A 73 59.614 5.121 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.473 5.278 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.578 3.529 -8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.131 3.407 -7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.037 5.156 -7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 73 58.878 5.030 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 73 58.765 3.284 -9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.631 3.848 -10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.266 3.749 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 55.610 5.893 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 57.267 6.258 -9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 56.497 6.104 -10.687 1.00 0.00 H new ATOM 1189 N ASP A 74 60.936 2.260 -5.080 1.00 0.00 N ATOM 1190 CA ASP A 74 60.617 0.919 -4.492 1.00 0.00 C ATOM 1191 C ASP A 74 61.653 0.517 -3.438 1.00 0.00 C ATOM 1192 O ASP A 74 62.843 0.564 -3.673 1.00 0.00 O ATOM 1193 CB ASP A 74 60.632 -0.053 -5.674 1.00 0.00 C ATOM 1194 CG ASP A 74 60.086 -1.412 -5.232 1.00 0.00 C ATOM 1195 OD1 ASP A 74 59.096 -1.430 -4.520 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.668 -2.414 -5.616 1.00 0.00 O ATOM 0 H ASP A 74 61.928 2.490 -5.145 1.00 0.00 H new ATOM 0 HA ASP A 74 59.654 0.922 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 74 60.029 0.344 -6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.648 -0.164 -6.053 1.00 0.00 H new ATOM 1201 N ILE A 75 61.189 0.119 -2.275 1.00 0.00 N ATOM 1202 CA ILE A 75 62.116 -0.333 -1.192 1.00 0.00 C ATOM 1203 C ILE A 75 61.548 -1.584 -0.501 1.00 0.00 C ATOM 1204 O ILE A 75 60.359 -1.678 -0.256 1.00 0.00 O ATOM 1205 CB ILE A 75 62.202 0.859 -0.218 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.180 0.530 0.916 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.820 1.166 0.378 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.530 1.810 1.677 1.00 0.00 C ATOM 0 H ILE A 75 60.199 0.089 -2.030 1.00 0.00 H new ATOM 0 HA ILE A 75 63.101 -0.609 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 75 62.554 1.732 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.735 -0.198 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.085 0.077 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.899 2.010 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.125 1.413 -0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.455 0.293 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.225 1.575 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 75 63.992 2.524 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.622 2.244 2.096 1.00 0.00 H new ATOM 1220 N ARG A 76 62.391 -2.539 -0.187 1.00 0.00 N ATOM 1221 CA ARG A 76 61.920 -3.755 0.549 1.00 0.00 C ATOM 1222 C ARG A 76 63.020 -4.280 1.478 1.00 0.00 C ATOM 1223 O ARG A 76 64.176 -4.348 1.106 1.00 0.00 O ATOM 1224 CB ARG A 76 61.595 -4.786 -0.533 1.00 0.00 C ATOM 1225 CG ARG A 76 60.227 -4.476 -1.144 1.00 0.00 C ATOM 1226 CD ARG A 76 59.666 -5.740 -1.801 1.00 0.00 C ATOM 1227 NE ARG A 76 60.556 -5.997 -2.975 1.00 0.00 N ATOM 1228 CZ ARG A 76 60.428 -5.320 -4.101 1.00 0.00 C ATOM 1229 NH1 ARG A 76 59.526 -4.376 -4.242 1.00 0.00 N ATOM 1230 NH2 ARG A 76 61.223 -5.593 -5.099 1.00 0.00 N ATOM 0 H ARG A 76 63.386 -2.528 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 76 61.054 -3.539 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.362 -4.770 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.595 -5.789 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.544 -4.120 -0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.318 -3.679 -1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 76 59.675 -6.581 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 76 58.632 -5.596 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 76 61.279 -6.713 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 76 58.900 -4.149 -3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 76 59.451 -3.870 -5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 76 61.931 -6.321 -5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 76 61.136 -5.079 -5.975 1.00 0.00 H new ATOM 1244 N VAL A 77 62.661 -4.652 2.684 1.00 0.00 N ATOM 1245 CA VAL A 77 63.668 -5.223 3.636 1.00 0.00 C ATOM 1246 C VAL A 77 63.790 -6.742 3.428 1.00 0.00 C ATOM 1247 O VAL A 77 62.827 -7.407 3.090 1.00 0.00 O ATOM 1248 CB VAL A 77 63.142 -4.879 5.045 1.00 0.00 C ATOM 1249 CG1 VAL A 77 61.781 -5.543 5.303 1.00 0.00 C ATOM 1250 CG2 VAL A 77 64.146 -5.362 6.098 1.00 0.00 C ATOM 0 H VAL A 77 61.712 -4.585 3.051 1.00 0.00 H new ATOM 0 HA VAL A 77 64.666 -4.813 3.483 1.00 0.00 H new ATOM 0 HB VAL A 77 63.020 -3.798 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 77 61.434 -5.284 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 77 61.059 -5.192 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 77 61.883 -6.625 5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 77 63.774 -5.119 7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 77 64.273 -6.441 6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 77 65.105 -4.870 5.939 1.00 0.00 H new ATOM 1260 N VAL A 78 64.966 -7.287 3.628 1.00 0.00 N ATOM 1261 CA VAL A 78 65.165 -8.757 3.419 1.00 0.00 C ATOM 1262 C VAL A 78 65.003 -9.497 4.752 1.00 0.00 C ATOM 1263 O VAL A 78 65.574 -9.114 5.756 1.00 0.00 O ATOM 1264 CB VAL A 78 66.600 -8.901 2.884 1.00 0.00 C ATOM 1265 CG1 VAL A 78 66.900 -10.376 2.596 1.00 0.00 C ATOM 1266 CG2 VAL A 78 66.754 -8.101 1.585 1.00 0.00 C ATOM 0 H VAL A 78 65.797 -6.777 3.927 1.00 0.00 H new ATOM 0 HA VAL A 78 64.438 -9.181 2.727 1.00 0.00 H new ATOM 0 HB VAL A 78 67.295 -8.522 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 78 67.917 -10.473 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 78 66.798 -10.954 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.198 -10.751 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 78 67.772 -8.207 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.053 -8.478 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.546 -7.049 1.779 1.00 0.00 H new ATOM 1276 N ASN A 79 64.227 -10.554 4.762 1.00 0.00 N ATOM 1277 CA ASN A 79 64.023 -11.334 6.021 1.00 0.00 C ATOM 1278 C ASN A 79 63.917 -12.829 5.706 1.00 0.00 C ATOM 1279 O ASN A 79 62.919 -13.289 5.179 1.00 0.00 O ATOM 1280 CB ASN A 79 62.707 -10.813 6.599 1.00 0.00 C ATOM 1281 CG ASN A 79 62.516 -11.365 8.013 1.00 0.00 C ATOM 1282 OD1 ASN A 79 61.714 -12.252 8.229 1.00 0.00 O ATOM 1283 ND2 ASN A 79 63.223 -10.874 8.994 1.00 0.00 N ATOM 0 H ASN A 79 63.725 -10.910 3.949 1.00 0.00 H new ATOM 0 HA ASN A 79 64.851 -11.215 6.720 1.00 0.00 H new ATOM 0 HB2 ASN A 79 62.713 -9.723 6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 79 61.874 -11.115 5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 79 63.102 -11.235 9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 79 63.897 -10.129 8.814 1.00 0.00 H new ATOM 1290 N ASN A 80 64.938 -13.586 6.025 1.00 0.00 N ATOM 1291 CA ASN A 80 64.904 -15.057 5.761 1.00 0.00 C ATOM 1292 C ASN A 80 64.641 -15.821 7.061 1.00 0.00 C ATOM 1293 O ASN A 80 65.507 -15.929 7.910 1.00 0.00 O ATOM 1294 CB ASN A 80 66.291 -15.396 5.212 1.00 0.00 C ATOM 1295 CG ASN A 80 66.474 -14.744 3.839 1.00 0.00 C ATOM 1296 OD1 ASN A 80 67.440 -14.044 3.609 1.00 0.00 O ATOM 1297 ND2 ASN A 80 65.579 -14.946 2.910 1.00 0.00 N ATOM 0 H ASN A 80 65.797 -13.246 6.459 1.00 0.00 H new ATOM 0 HA ASN A 80 64.112 -15.332 5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 80 67.061 -15.044 5.898 1.00 0.00 H new ATOM 0 HB3 ASN A 80 66.407 -16.477 5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 80 65.691 -14.516 1.992 1.00 0.00 H new ATOM 0 HD22 ASN A 80 64.768 -15.534 3.102 1.00 0.00 H new ATOM 1304 N HIS A 81 63.451 -16.350 7.219 1.00 0.00 N ATOM 1305 CA HIS A 81 63.117 -17.107 8.470 1.00 0.00 C ATOM 1306 C HIS A 81 63.921 -18.409 8.532 1.00 0.00 C ATOM 1307 O HIS A 81 64.518 -18.729 9.544 1.00 0.00 O ATOM 1308 CB HIS A 81 61.619 -17.408 8.377 1.00 0.00 C ATOM 1309 CG HIS A 81 61.064 -18.073 9.607 1.00 0.00 C ATOM 1310 ND1 HIS A 81 61.012 -17.431 10.835 1.00 0.00 N ATOM 1311 CD2 HIS A 81 60.532 -19.321 9.815 1.00 0.00 C ATOM 1312 CE1 HIS A 81 60.467 -18.288 11.717 1.00 0.00 C ATOM 1313 NE2 HIS A 81 60.157 -19.455 11.148 1.00 0.00 N ATOM 0 H HIS A 81 62.696 -16.291 6.536 1.00 0.00 H new ATOM 0 HA HIS A 81 63.360 -16.538 9.367 1.00 0.00 H new ATOM 0 HB2 HIS A 81 61.079 -16.477 8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 81 61.438 -18.049 7.514 1.00 0.00 H new ATOM 0 HD2 HIS A 81 60.421 -20.084 9.058 1.00 0.00 H new ATOM 0 HE1 HIS A 81 60.300 -18.060 12.759 1.00 0.00 H new ATOM 0 HE2 HIS A 81 59.736 -20.270 11.594 1.00 0.00 H new ATOM 1321 N THR A 82 63.939 -19.158 7.456 1.00 0.00 N ATOM 1322 CA THR A 82 64.692 -20.450 7.441 1.00 0.00 C ATOM 1323 C THR A 82 65.365 -20.662 6.079 1.00 0.00 C ATOM 1324 O THR A 82 64.989 -20.055 5.092 1.00 0.00 O ATOM 1325 CB THR A 82 63.638 -21.537 7.715 1.00 0.00 C ATOM 1326 OG1 THR A 82 64.273 -22.807 7.739 1.00 0.00 O ATOM 1327 CG2 THR A 82 62.557 -21.527 6.627 1.00 0.00 C ATOM 0 H THR A 82 63.462 -18.928 6.584 1.00 0.00 H new ATOM 0 HA THR A 82 65.489 -20.470 8.185 1.00 0.00 H new ATOM 0 HB THR A 82 63.166 -21.337 8.677 1.00 0.00 H new ATOM 0 HG1 THR A 82 63.606 -23.503 7.915 1.00 0.00 H new ATOM 0 HG21 THR A 82 61.821 -22.303 6.838 1.00 0.00 H new ATOM 0 HG22 THR A 82 62.065 -20.554 6.612 1.00 0.00 H new ATOM 0 HG23 THR A 82 63.016 -21.717 5.657 1.00 0.00 H new ATOM 1335 N LEU A 83 66.358 -21.517 6.025 1.00 0.00 N ATOM 1336 CA LEU A 83 67.055 -21.789 4.731 1.00 0.00 C ATOM 1337 C LEU A 83 66.480 -23.061 4.080 1.00 0.00 C ATOM 1338 O LEU A 83 66.211 -24.024 4.772 1.00 0.00 O ATOM 1339 CB LEU A 83 68.522 -21.998 5.111 1.00 0.00 C ATOM 1340 CG LEU A 83 69.377 -22.076 3.845 1.00 0.00 C ATOM 1341 CD1 LEU A 83 69.600 -20.668 3.289 1.00 0.00 C ATOM 1342 CD2 LEU A 83 70.728 -22.710 4.181 1.00 0.00 C ATOM 0 H LEU A 83 66.716 -22.039 6.825 1.00 0.00 H new ATOM 0 HA LEU A 83 66.931 -20.978 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 83 68.864 -21.178 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 83 68.630 -22.914 5.691 1.00 0.00 H new ATOM 0 HG LEU A 83 68.864 -22.683 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 83 70.209 -20.725 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 83 68.638 -20.215 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 83 70.112 -20.059 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 83 71.338 -22.766 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 83 71.239 -22.103 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 83 70.571 -23.714 4.576 1.00 0.00 H new ATOM 1354 N PRO A 84 66.304 -23.033 2.769 1.00 0.00 N ATOM 1355 CA PRO A 84 65.756 -24.221 2.058 1.00 0.00 C ATOM 1356 C PRO A 84 66.765 -25.373 2.089 1.00 0.00 C ATOM 1357 O PRO A 84 67.896 -25.154 1.685 1.00 0.00 O ATOM 1358 CB PRO A 84 65.532 -23.728 0.627 1.00 0.00 C ATOM 1359 CG PRO A 84 66.426 -22.540 0.474 1.00 0.00 C ATOM 1360 CD PRO A 84 66.588 -21.926 1.838 1.00 0.00 C ATOM 1361 OXT PRO A 84 66.390 -26.453 2.515 1.00 0.00 O ATOM 0 HA PRO A 84 64.842 -24.603 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 84 65.780 -24.502 -0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 84 64.489 -23.459 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 84 67.393 -22.836 0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 84 65.995 -21.821 -0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 84 67.595 -21.534 1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 84 65.898 -21.095 1.985 1.00 0.00 H new TER 1369 PRO A 84