USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 908 hydrogens (12 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 55 SER OG : rot 14:sc= 0.871 USER MOD Set 1.2: A 99 CYS SG : rot 180:sc= 0.196 USER MOD Single : A 1 ATP O2' : rot -13:sc= 0.591 USER MOD Single : A 1 ATP O3' : rot -2:sc= 1.51 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0546 USER MOD Single : A 29 GLN : amide:sc= -4.93! C(o=-4.9!,f=-9.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.96! C(o=-2!,f=-2.2!) USER MOD Single : A 35 SER OG : rot 170:sc= 0 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -0.78 F(o=-2.3,f=-0.78) USER MOD Single : A 43 ASN : amide:sc= -0.459 K(o=-0.46,f=-7.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00469 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.838 USER MOD Single : A 68 THR OG1 : rot 73:sc= 0.653 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0059 USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= -6.32! (180deg=-6.46!) USER MOD Single : A 88 GLN : amide:sc= -0.035 K(o=-0.035,f=-1.9!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 141:sc= -0.476 USER MOD Single : A 100 HIS : no HE2:sc= 0.606 K(o=0.61,f=-5.2!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -5.45! C(o=-5.5!,f=-11!) USER MOD Single : A 107 GLN : amide:sc= -2.94! C(o=-2.9!,f=-5.5!) USER MOD Single : A 109 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 112 THR OG1 : rot -160:sc= -0.0874 USER MOD Single : A 116 LYS NZ :NH3+ -158:sc= -0.0254 (180deg=-0.366) USER MOD Single : A 119 GLN : amide:sc= -1.13! C(o=-1.1!,f=-5.4!) USER MOD Single : A 120 SER OG : rot 69:sc= -0.363 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot -72:sc= 0.794 USER MOD Single : A 137 GLN :FLIP amide:sc= -5.7! C(o=-12!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 59.698 7.880 -17.460 1.00 0.00 N ATOM 2 CA GLY A 17 59.692 6.429 -17.796 1.00 0.00 C ATOM 3 C GLY A 17 59.442 6.254 -19.295 1.00 0.00 C ATOM 4 O GLY A 17 59.249 7.211 -20.018 1.00 0.00 O ATOM 0 HA2 GLY A 17 60.645 5.977 -17.520 1.00 0.00 H new ATOM 0 HA3 GLY A 17 58.918 5.916 -17.225 1.00 0.00 H new ATOM 10 N ALA A 18 59.443 5.037 -19.769 1.00 0.00 N ATOM 11 CA ALA A 18 59.205 4.803 -21.221 1.00 0.00 C ATOM 12 C ALA A 18 57.702 4.932 -21.511 1.00 0.00 C ATOM 13 O ALA A 18 56.882 4.699 -20.646 1.00 0.00 O ATOM 14 CB ALA A 18 59.688 3.393 -21.586 1.00 0.00 C ATOM 0 H ALA A 18 59.598 4.196 -19.213 1.00 0.00 H new ATOM 0 HA ALA A 18 59.751 5.537 -21.814 1.00 0.00 H new ATOM 0 HB1 ALA A 18 59.517 3.213 -22.647 1.00 0.00 H new ATOM 0 HB2 ALA A 18 60.753 3.306 -21.370 1.00 0.00 H new ATOM 0 HB3 ALA A 18 59.137 2.657 -21.000 1.00 0.00 H new ATOM 20 N PRO A 19 57.336 5.299 -22.718 1.00 0.00 N ATOM 21 CA PRO A 19 55.901 5.452 -23.105 1.00 0.00 C ATOM 22 C PRO A 19 55.198 4.096 -23.249 1.00 0.00 C ATOM 23 O PRO A 19 55.341 3.414 -24.244 1.00 0.00 O ATOM 24 CB PRO A 19 55.971 6.182 -24.454 1.00 0.00 C ATOM 25 CG PRO A 19 57.284 5.771 -25.036 1.00 0.00 C ATOM 26 CD PRO A 19 58.237 5.608 -23.847 1.00 0.00 C ATOM 0 HA PRO A 19 55.324 5.990 -22.353 1.00 0.00 H new ATOM 0 HB2 PRO A 19 55.143 5.897 -25.103 1.00 0.00 H new ATOM 0 HB3 PRO A 19 55.916 7.263 -24.323 1.00 0.00 H new ATOM 0 HG2 PRO A 19 57.190 4.838 -25.592 1.00 0.00 H new ATOM 0 HG3 PRO A 19 57.654 6.522 -25.734 1.00 0.00 H new ATOM 0 HD2 PRO A 19 58.956 4.807 -24.017 1.00 0.00 H new ATOM 0 HD3 PRO A 19 58.810 6.517 -23.665 1.00 0.00 H new ATOM 34 N GLU A 20 54.440 3.703 -22.262 1.00 0.00 N ATOM 35 CA GLU A 20 53.730 2.395 -22.343 1.00 0.00 C ATOM 36 C GLU A 20 52.601 2.488 -23.373 1.00 0.00 C ATOM 37 O GLU A 20 52.224 1.508 -23.985 1.00 0.00 O ATOM 38 CB GLU A 20 53.158 2.031 -20.963 1.00 0.00 C ATOM 39 CG GLU A 20 51.947 2.915 -20.626 1.00 0.00 C ATOM 40 CD GLU A 20 52.295 4.388 -20.853 1.00 0.00 C ATOM 41 OE1 GLU A 20 53.274 4.839 -20.283 1.00 0.00 O ATOM 42 OE2 GLU A 20 51.575 5.039 -21.592 1.00 0.00 O ATOM 0 H GLU A 20 54.282 4.231 -21.404 1.00 0.00 H new ATOM 0 HA GLU A 20 54.430 1.619 -22.652 1.00 0.00 H new ATOM 0 HB2 GLU A 20 52.863 0.982 -20.951 1.00 0.00 H new ATOM 0 HB3 GLU A 20 53.928 2.154 -20.201 1.00 0.00 H new ATOM 0 HG2 GLU A 20 51.097 2.634 -21.247 1.00 0.00 H new ATOM 0 HG3 GLU A 20 51.649 2.759 -19.589 1.00 0.00 H new ATOM 49 N GLY A 21 52.059 3.659 -23.570 1.00 0.00 N ATOM 50 CA GLY A 21 50.956 3.813 -24.560 1.00 0.00 C ATOM 51 C GLY A 21 50.195 5.111 -24.278 1.00 0.00 C ATOM 52 O GLY A 21 49.049 5.092 -23.875 1.00 0.00 O ATOM 0 H GLY A 21 52.332 4.515 -23.088 1.00 0.00 H new ATOM 0 HA2 GLY A 21 51.361 3.829 -25.572 1.00 0.00 H new ATOM 0 HA3 GLY A 21 50.278 2.961 -24.501 1.00 0.00 H new ATOM 56 N PRO A 22 50.833 6.232 -24.491 1.00 0.00 N ATOM 57 CA PRO A 22 50.214 7.570 -24.259 1.00 0.00 C ATOM 58 C PRO A 22 48.800 7.666 -24.844 1.00 0.00 C ATOM 59 O PRO A 22 48.620 7.905 -26.022 1.00 0.00 O ATOM 60 CB PRO A 22 51.171 8.531 -24.974 1.00 0.00 C ATOM 61 CG PRO A 22 52.504 7.855 -24.907 1.00 0.00 C ATOM 62 CD PRO A 22 52.220 6.349 -24.977 1.00 0.00 C ATOM 0 HA PRO A 22 50.091 7.789 -23.198 1.00 0.00 H new ATOM 0 HB2 PRO A 22 50.864 8.701 -26.006 1.00 0.00 H new ATOM 0 HB3 PRO A 22 51.195 9.504 -24.484 1.00 0.00 H new ATOM 0 HG2 PRO A 22 53.143 8.170 -25.732 1.00 0.00 H new ATOM 0 HG3 PRO A 22 53.025 8.111 -23.985 1.00 0.00 H new ATOM 0 HD2 PRO A 22 52.321 5.969 -25.994 1.00 0.00 H new ATOM 0 HD3 PRO A 22 52.912 5.782 -24.354 1.00 0.00 H new ATOM 70 N GLY A 23 47.797 7.481 -24.030 1.00 0.00 N ATOM 71 CA GLY A 23 46.399 7.561 -24.539 1.00 0.00 C ATOM 72 C GLY A 23 45.427 7.159 -23.427 1.00 0.00 C ATOM 73 O GLY A 23 45.832 6.762 -22.353 1.00 0.00 O ATOM 0 H GLY A 23 47.885 7.278 -23.034 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.182 8.574 -24.878 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.276 6.903 -25.400 1.00 0.00 H new ATOM 77 N PRO A 24 44.150 7.263 -23.688 1.00 0.00 N ATOM 78 CA PRO A 24 43.092 6.906 -22.698 1.00 0.00 C ATOM 79 C PRO A 24 42.932 5.387 -22.550 1.00 0.00 C ATOM 80 O PRO A 24 42.836 4.666 -23.523 1.00 0.00 O ATOM 81 CB PRO A 24 41.827 7.537 -23.293 1.00 0.00 C ATOM 82 CG PRO A 24 42.062 7.533 -24.770 1.00 0.00 C ATOM 83 CD PRO A 24 43.571 7.734 -24.960 1.00 0.00 C ATOM 0 HA PRO A 24 43.323 7.263 -21.694 1.00 0.00 H new ATOM 0 HB2 PRO A 24 40.938 6.964 -23.032 1.00 0.00 H new ATOM 0 HB3 PRO A 24 41.675 8.549 -22.919 1.00 0.00 H new ATOM 0 HG2 PRO A 24 41.735 6.593 -25.214 1.00 0.00 H new ATOM 0 HG3 PRO A 24 41.498 8.329 -25.257 1.00 0.00 H new ATOM 0 HD2 PRO A 24 43.948 7.161 -25.808 1.00 0.00 H new ATOM 0 HD3 PRO A 24 43.815 8.780 -25.148 1.00 0.00 H new ATOM 91 N SER A 25 42.902 4.899 -21.340 1.00 0.00 N ATOM 92 CA SER A 25 42.749 3.432 -21.133 1.00 0.00 C ATOM 93 C SER A 25 41.369 2.989 -21.622 1.00 0.00 C ATOM 94 O SER A 25 41.248 2.201 -22.539 1.00 0.00 O ATOM 95 CB SER A 25 42.889 3.110 -19.643 1.00 0.00 C ATOM 96 OG SER A 25 41.975 3.903 -18.900 1.00 0.00 O ATOM 0 H SER A 25 42.977 5.453 -20.487 1.00 0.00 H new ATOM 0 HA SER A 25 43.520 2.904 -21.694 1.00 0.00 H new ATOM 0 HB2 SER A 25 42.694 2.052 -19.469 1.00 0.00 H new ATOM 0 HB3 SER A 25 43.909 3.305 -19.312 1.00 0.00 H new ATOM 0 HG SER A 25 42.063 3.696 -17.946 1.00 0.00 H new ATOM 102 N GLY A 26 40.326 3.489 -21.018 1.00 0.00 N ATOM 103 CA GLY A 26 38.955 3.096 -21.450 1.00 0.00 C ATOM 104 C GLY A 26 37.958 3.411 -20.332 1.00 0.00 C ATOM 105 O GLY A 26 38.105 2.965 -19.212 1.00 0.00 O ATOM 0 H GLY A 26 40.364 4.153 -20.244 1.00 0.00 H new ATOM 0 HA2 GLY A 26 38.681 3.632 -22.358 1.00 0.00 H new ATOM 0 HA3 GLY A 26 38.928 2.032 -21.687 1.00 0.00 H new ATOM 109 N GLY A 27 36.945 4.178 -20.628 1.00 0.00 N ATOM 110 CA GLY A 27 35.940 4.521 -19.582 1.00 0.00 C ATOM 111 C GLY A 27 36.494 5.631 -18.686 1.00 0.00 C ATOM 112 O GLY A 27 35.761 6.303 -17.989 1.00 0.00 O ATOM 0 H GLY A 27 36.770 4.582 -21.548 1.00 0.00 H new ATOM 0 HA2 GLY A 27 35.010 4.846 -20.049 1.00 0.00 H new ATOM 0 HA3 GLY A 27 35.706 3.640 -18.985 1.00 0.00 H new ATOM 116 N ALA A 28 37.784 5.828 -18.700 1.00 0.00 N ATOM 117 CA ALA A 28 38.383 6.895 -17.849 1.00 0.00 C ATOM 118 C ALA A 28 38.175 8.256 -18.515 1.00 0.00 C ATOM 119 O ALA A 28 38.442 9.289 -17.935 1.00 0.00 O ATOM 120 CB ALA A 28 39.881 6.632 -17.682 1.00 0.00 C ATOM 0 H ALA A 28 38.448 5.297 -19.263 1.00 0.00 H new ATOM 0 HA ALA A 28 37.902 6.893 -16.871 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.320 7.412 -17.060 1.00 0.00 H new ATOM 0 HB2 ALA A 28 40.029 5.662 -17.207 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.362 6.634 -18.660 1.00 0.00 H new ATOM 126 N GLN A 29 37.699 8.265 -19.730 1.00 0.00 N ATOM 127 CA GLN A 29 37.474 9.560 -20.432 1.00 0.00 C ATOM 128 C GLN A 29 36.175 10.192 -19.927 1.00 0.00 C ATOM 129 O GLN A 29 36.172 11.283 -19.390 1.00 0.00 O ATOM 130 CB GLN A 29 37.372 9.310 -21.941 1.00 0.00 C ATOM 131 CG GLN A 29 37.326 10.647 -22.692 1.00 0.00 C ATOM 132 CD GLN A 29 35.925 11.255 -22.580 1.00 0.00 C ATOM 133 OE1 GLN A 29 34.964 10.554 -22.333 1.00 0.00 O ATOM 134 NE2 GLN A 29 35.769 12.539 -22.753 1.00 0.00 N ATOM 0 H GLN A 29 37.456 7.432 -20.267 1.00 0.00 H new ATOM 0 HA GLN A 29 38.307 10.234 -20.232 1.00 0.00 H new ATOM 0 HB2 GLN A 29 38.226 8.723 -22.279 1.00 0.00 H new ATOM 0 HB3 GLN A 29 36.477 8.728 -22.162 1.00 0.00 H new ATOM 0 HG2 GLN A 29 38.065 11.333 -22.278 1.00 0.00 H new ATOM 0 HG3 GLN A 29 37.584 10.495 -23.740 1.00 0.00 H new ATOM 0 HE21 GLN A 29 36.576 13.127 -22.960 1.00 0.00 H new ATOM 0 HE22 GLN A 29 34.840 12.954 -22.681 1.00 0.00 H new ATOM 143 N GLY A 30 35.071 9.517 -20.093 1.00 0.00 N ATOM 144 CA GLY A 30 33.775 10.079 -19.621 1.00 0.00 C ATOM 145 C GLY A 30 33.679 9.935 -18.101 1.00 0.00 C ATOM 146 O GLY A 30 33.365 8.880 -17.587 1.00 0.00 O ATOM 0 H GLY A 30 35.011 8.600 -20.535 1.00 0.00 H new ATOM 0 HA2 GLY A 30 33.698 11.129 -19.903 1.00 0.00 H new ATOM 0 HA3 GLY A 30 32.945 9.559 -20.099 1.00 0.00 H new ATOM 150 N GLY A 31 33.947 10.987 -17.378 1.00 0.00 N ATOM 151 CA GLY A 31 33.870 10.909 -15.892 1.00 0.00 C ATOM 152 C GLY A 31 32.409 11.004 -15.450 1.00 0.00 C ATOM 153 O GLY A 31 32.042 11.854 -14.664 1.00 0.00 O ATOM 0 H GLY A 31 34.216 11.897 -17.752 1.00 0.00 H new ATOM 0 HA2 GLY A 31 34.306 9.973 -15.544 1.00 0.00 H new ATOM 0 HA3 GLY A 31 34.449 11.717 -15.445 1.00 0.00 H new ATOM 157 N SER A 32 31.570 10.138 -15.950 1.00 0.00 N ATOM 158 CA SER A 32 30.133 10.180 -15.559 1.00 0.00 C ATOM 159 C SER A 32 29.973 9.609 -14.148 1.00 0.00 C ATOM 160 O SER A 32 30.438 8.527 -13.850 1.00 0.00 O ATOM 161 CB SER A 32 29.312 9.346 -16.543 1.00 0.00 C ATOM 162 OG SER A 32 29.442 9.891 -17.848 1.00 0.00 O ATOM 0 H SER A 32 31.818 9.403 -16.613 1.00 0.00 H new ATOM 0 HA SER A 32 29.781 11.211 -15.576 1.00 0.00 H new ATOM 0 HB2 SER A 32 29.654 8.311 -16.534 1.00 0.00 H new ATOM 0 HB3 SER A 32 28.264 9.338 -16.243 1.00 0.00 H new ATOM 0 HG SER A 32 28.917 9.356 -18.480 1.00 0.00 H new ATOM 168 N ILE A 33 29.319 10.329 -13.277 1.00 0.00 N ATOM 169 CA ILE A 33 29.130 9.830 -11.885 1.00 0.00 C ATOM 170 C ILE A 33 28.662 8.371 -11.914 1.00 0.00 C ATOM 171 O ILE A 33 28.361 7.824 -12.956 1.00 0.00 O ATOM 172 CB ILE A 33 28.099 10.705 -11.154 1.00 0.00 C ATOM 173 CG1 ILE A 33 26.676 10.426 -11.669 1.00 0.00 C ATOM 174 CG2 ILE A 33 28.436 12.180 -11.378 1.00 0.00 C ATOM 175 CD1 ILE A 33 26.626 10.536 -13.197 1.00 0.00 C ATOM 0 H ILE A 33 28.907 11.242 -13.470 1.00 0.00 H new ATOM 0 HA ILE A 33 30.079 9.884 -11.352 1.00 0.00 H new ATOM 0 HB ILE A 33 28.136 10.467 -10.091 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.360 9.430 -11.360 1.00 0.00 H new ATOM 0 HG13 ILE A 33 25.977 11.134 -11.225 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.706 12.803 -10.861 1.00 0.00 H new ATOM 0 HG22 ILE A 33 29.432 12.389 -10.988 1.00 0.00 H new ATOM 0 HG23 ILE A 33 28.410 12.401 -12.445 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.612 10.336 -13.543 1.00 0.00 H new ATOM 0 HD12 ILE A 33 26.921 11.541 -13.499 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.310 9.810 -13.637 1.00 0.00 H new ATOM 187 N HIS A 34 28.604 7.734 -10.774 1.00 0.00 N ATOM 188 CA HIS A 34 28.160 6.309 -10.730 1.00 0.00 C ATOM 189 C HIS A 34 26.634 6.249 -10.634 1.00 0.00 C ATOM 190 O HIS A 34 25.966 7.262 -10.567 1.00 0.00 O ATOM 191 CB HIS A 34 28.773 5.624 -9.507 1.00 0.00 C ATOM 192 CG HIS A 34 28.574 4.137 -9.613 1.00 0.00 C ATOM 193 ND1 HIS A 34 28.998 3.410 -10.714 1.00 0.00 N ATOM 194 CD2 HIS A 34 27.996 3.226 -8.763 1.00 0.00 C ATOM 195 CE1 HIS A 34 28.673 2.122 -10.500 1.00 0.00 C ATOM 196 NE2 HIS A 34 28.060 1.955 -9.325 1.00 0.00 N ATOM 0 H HIS A 34 28.845 8.140 -9.870 1.00 0.00 H new ATOM 0 HA HIS A 34 28.486 5.800 -11.637 1.00 0.00 H new ATOM 0 HB2 HIS A 34 29.836 5.856 -9.442 1.00 0.00 H new ATOM 0 HB3 HIS A 34 28.308 6.000 -8.595 1.00 0.00 H new ATOM 0 HD2 HIS A 34 27.558 3.461 -7.804 1.00 0.00 H new ATOM 0 HE1 HIS A 34 28.882 1.321 -11.194 1.00 0.00 H new ATOM 0 HE2 HIS A 34 27.713 1.083 -8.926 1.00 0.00 H new ATOM 204 N SER A 35 26.077 5.069 -10.624 1.00 0.00 N ATOM 205 CA SER A 35 24.595 4.945 -10.531 1.00 0.00 C ATOM 206 C SER A 35 24.080 5.818 -9.384 1.00 0.00 C ATOM 207 O SER A 35 24.556 5.740 -8.269 1.00 0.00 O ATOM 208 CB SER A 35 24.221 3.485 -10.267 1.00 0.00 C ATOM 209 OG SER A 35 22.840 3.400 -9.946 1.00 0.00 O ATOM 0 H SER A 35 26.584 4.186 -10.676 1.00 0.00 H new ATOM 0 HA SER A 35 24.144 5.273 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 35 24.439 2.878 -11.146 1.00 0.00 H new ATOM 0 HB3 SER A 35 24.821 3.087 -9.448 1.00 0.00 H new ATOM 0 HG SER A 35 22.564 2.460 -9.935 1.00 0.00 H new ATOM 215 N GLY A 36 23.110 6.651 -9.650 1.00 0.00 N ATOM 216 CA GLY A 36 22.567 7.529 -8.576 1.00 0.00 C ATOM 217 C GLY A 36 21.597 6.729 -7.703 1.00 0.00 C ATOM 218 O GLY A 36 20.394 6.836 -7.837 1.00 0.00 O ATOM 0 H GLY A 36 22.671 6.761 -10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.381 7.922 -7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 36 22.055 8.385 -9.016 1.00 0.00 H new ATOM 222 N ARG A 37 22.110 5.929 -6.809 1.00 0.00 N ATOM 223 CA ARG A 37 21.217 5.125 -5.928 1.00 0.00 C ATOM 224 C ARG A 37 20.165 6.044 -5.301 1.00 0.00 C ATOM 225 O ARG A 37 20.242 7.252 -5.406 1.00 0.00 O ATOM 226 CB ARG A 37 22.049 4.466 -4.822 1.00 0.00 C ATOM 227 CG ARG A 37 22.794 3.253 -5.389 1.00 0.00 C ATOM 228 CD ARG A 37 23.794 3.709 -6.456 1.00 0.00 C ATOM 229 NE ARG A 37 24.809 2.640 -6.672 1.00 0.00 N ATOM 230 CZ ARG A 37 24.472 1.533 -7.275 1.00 0.00 C ATOM 231 NH1 ARG A 37 23.246 1.362 -7.689 1.00 0.00 N ATOM 232 NH2 ARG A 37 25.361 0.596 -7.463 1.00 0.00 N ATOM 0 H ARG A 37 23.109 5.797 -6.651 1.00 0.00 H new ATOM 0 HA ARG A 37 20.722 4.352 -6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 37 22.761 5.183 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 37 21.401 4.156 -4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 37 23.316 2.729 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 37 22.084 2.548 -5.821 1.00 0.00 H new ATOM 0 HD2 ARG A 37 23.274 3.926 -7.389 1.00 0.00 H new ATOM 0 HD3 ARG A 37 24.282 4.631 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 37 25.767 2.773 -6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 37 22.551 2.094 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.983 0.497 -8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 37 26.319 0.729 -7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 37 25.098 -0.269 -7.934 1.00 0.00 H new ATOM 246 N ILE A 38 19.180 5.482 -4.648 1.00 0.00 N ATOM 247 CA ILE A 38 18.117 6.321 -4.011 1.00 0.00 C ATOM 248 C ILE A 38 17.700 5.680 -2.689 1.00 0.00 C ATOM 249 O ILE A 38 16.894 4.771 -2.652 1.00 0.00 O ATOM 250 CB ILE A 38 16.911 6.413 -4.957 1.00 0.00 C ATOM 251 CG1 ILE A 38 17.387 6.982 -6.296 1.00 0.00 C ATOM 252 CG2 ILE A 38 15.828 7.332 -4.362 1.00 0.00 C ATOM 253 CD1 ILE A 38 16.185 7.282 -7.198 1.00 0.00 C ATOM 0 H ILE A 38 19.065 4.476 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 38 18.497 7.325 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 38 16.482 5.421 -5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.962 7.893 -6.129 1.00 0.00 H new ATOM 0 HG13 ILE A 38 18.051 6.271 -6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.981 7.386 -5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.497 6.931 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.239 8.331 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 38 16.535 7.686 -8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 38 15.627 6.363 -7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 38 15.537 8.010 -6.710 1.00 0.00 H new ATOM 265 N ALA A 39 18.246 6.155 -1.601 1.00 0.00 N ATOM 266 CA ALA A 39 17.898 5.594 -0.258 1.00 0.00 C ATOM 267 C ALA A 39 16.959 6.561 0.466 1.00 0.00 C ATOM 268 O ALA A 39 17.332 7.665 0.809 1.00 0.00 O ATOM 269 CB ALA A 39 19.178 5.417 0.560 1.00 0.00 C ATOM 0 H ALA A 39 18.925 6.916 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 39 17.405 4.629 -0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 39 18.930 5.008 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 39 19.850 4.733 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 39 19.668 6.383 0.683 1.00 0.00 H new ATOM 275 N ALA A 40 15.737 6.157 0.695 1.00 0.00 N ATOM 276 CA ALA A 40 14.764 7.051 1.390 1.00 0.00 C ATOM 277 C ALA A 40 13.767 6.203 2.192 1.00 0.00 C ATOM 278 O ALA A 40 13.891 4.995 2.283 1.00 0.00 O ATOM 279 CB ALA A 40 14.022 7.893 0.341 1.00 0.00 C ATOM 0 H ALA A 40 15.370 5.243 0.430 1.00 0.00 H new ATOM 0 HA ALA A 40 15.292 7.713 2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.309 8.549 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.740 8.494 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.490 7.234 -0.345 1.00 0.00 H new ATOM 285 N VAL A 41 12.787 6.834 2.781 1.00 0.00 N ATOM 286 CA VAL A 41 11.777 6.082 3.583 1.00 0.00 C ATOM 287 C VAL A 41 10.717 5.506 2.640 1.00 0.00 C ATOM 288 O VAL A 41 10.354 6.115 1.653 1.00 0.00 O ATOM 289 CB VAL A 41 11.111 7.033 4.583 1.00 0.00 C ATOM 290 CG1 VAL A 41 10.047 6.287 5.393 1.00 0.00 C ATOM 291 CG2 VAL A 41 12.167 7.595 5.540 1.00 0.00 C ATOM 0 H VAL A 41 12.641 7.843 2.741 1.00 0.00 H new ATOM 0 HA VAL A 41 12.265 5.272 4.125 1.00 0.00 H new ATOM 0 HB VAL A 41 10.640 7.847 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.581 6.973 6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.288 5.890 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.514 5.466 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.691 8.271 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.641 6.776 6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.921 8.139 4.971 1.00 0.00 H new ATOM 301 N HIS A 42 10.226 4.333 2.931 1.00 0.00 N ATOM 302 CA HIS A 42 9.196 3.702 2.050 1.00 0.00 C ATOM 303 C HIS A 42 8.254 2.838 2.893 1.00 0.00 C ATOM 304 O HIS A 42 8.572 2.446 3.999 1.00 0.00 O ATOM 305 CB HIS A 42 9.895 2.795 1.031 1.00 0.00 C ATOM 306 CG HIS A 42 10.483 3.612 -0.086 1.00 0.00 C ATOM 307 ND1 HIS A 42 11.569 4.449 -0.142 1.00 0.00 N flip ATOM 308 CD2 HIS A 42 9.951 3.598 -1.364 1.00 0.00 C flip ATOM 309 CE1 HIS A 42 11.711 4.946 -1.433 1.00 0.00 C flip ATOM 310 NE2 HIS A 42 10.711 4.400 -2.129 1.00 0.00 N flip ATOM 0 H HIS A 42 10.494 3.780 3.745 1.00 0.00 H new ATOM 0 HA HIS A 42 8.631 4.485 1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.681 2.223 1.524 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.183 2.076 0.627 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.083 3.043 -1.688 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.467 5.627 -1.795 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.544 4.571 -3.121 1.00 0.00 H new ATOM 318 N ASN A 43 7.108 2.510 2.356 1.00 0.00 N ATOM 319 CA ASN A 43 6.146 1.635 3.089 1.00 0.00 C ATOM 320 C ASN A 43 6.305 0.213 2.547 1.00 0.00 C ATOM 321 O ASN A 43 5.724 -0.148 1.543 1.00 0.00 O ATOM 322 CB ASN A 43 4.722 2.126 2.844 1.00 0.00 C ATOM 323 CG ASN A 43 4.552 2.452 1.364 1.00 0.00 C ATOM 324 OD1 ASN A 43 5.415 2.156 0.561 1.00 0.00 O ATOM 325 ND2 ASN A 43 3.471 3.053 0.964 1.00 0.00 N ATOM 0 H ASN A 43 6.795 2.813 1.434 1.00 0.00 H new ATOM 0 HA ASN A 43 6.343 1.658 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.004 1.363 3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.520 3.010 3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.347 3.276 -0.024 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.747 3.301 1.638 1.00 0.00 H new ATOM 332 N VAL A 44 7.110 -0.590 3.191 1.00 0.00 N ATOM 333 CA VAL A 44 7.338 -1.986 2.700 1.00 0.00 C ATOM 334 C VAL A 44 6.261 -2.924 3.298 1.00 0.00 C ATOM 335 O VAL A 44 6.075 -2.942 4.499 1.00 0.00 O ATOM 336 CB VAL A 44 8.756 -2.431 3.121 1.00 0.00 C ATOM 337 CG1 VAL A 44 8.788 -2.831 4.596 1.00 0.00 C ATOM 338 CG2 VAL A 44 9.204 -3.624 2.274 1.00 0.00 C ATOM 0 H VAL A 44 7.622 -0.341 4.038 1.00 0.00 H new ATOM 0 HA VAL A 44 7.261 -2.028 1.614 1.00 0.00 H new ATOM 0 HB VAL A 44 9.431 -1.589 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.797 -3.140 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.492 -1.981 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.098 -3.658 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.205 -3.931 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.511 -4.453 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.216 -3.339 1.222 1.00 0.00 H new ATOM 348 N PRO A 45 5.541 -3.695 2.491 1.00 0.00 N ATOM 349 CA PRO A 45 4.477 -4.612 3.017 1.00 0.00 C ATOM 350 C PRO A 45 4.934 -5.463 4.207 1.00 0.00 C ATOM 351 O PRO A 45 6.041 -5.960 4.247 1.00 0.00 O ATOM 352 CB PRO A 45 4.148 -5.513 1.820 1.00 0.00 C ATOM 353 CG PRO A 45 4.458 -4.686 0.617 1.00 0.00 C ATOM 354 CD PRO A 45 5.636 -3.786 1.009 1.00 0.00 C ATOM 0 HA PRO A 45 3.628 -4.043 3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.745 -6.425 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.101 -5.817 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.716 -5.317 -0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.595 -4.090 0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.588 -4.215 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.560 -2.804 0.543 1.00 0.00 H new ATOM 362 N LEU A 46 4.071 -5.642 5.172 1.00 0.00 N ATOM 363 CA LEU A 46 4.432 -6.473 6.353 1.00 0.00 C ATOM 364 C LEU A 46 4.605 -7.926 5.915 1.00 0.00 C ATOM 365 O LEU A 46 5.374 -8.678 6.481 1.00 0.00 O ATOM 366 CB LEU A 46 3.296 -6.429 7.376 1.00 0.00 C ATOM 367 CG LEU A 46 3.080 -4.993 7.911 1.00 0.00 C ATOM 368 CD1 LEU A 46 1.596 -4.780 8.200 1.00 0.00 C ATOM 369 CD2 LEU A 46 3.870 -4.765 9.207 1.00 0.00 C ATOM 0 H LEU A 46 3.131 -5.247 5.191 1.00 0.00 H new ATOM 0 HA LEU A 46 5.354 -6.088 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.376 -6.791 6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.524 -7.098 8.205 1.00 0.00 H new ATOM 0 HG LEU A 46 3.429 -4.290 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.440 -3.769 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.023 -4.917 7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.264 -5.501 8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.701 -3.748 9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.538 -5.474 9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.933 -4.910 9.015 1.00 0.00 H new ATOM 381 N SER A 47 3.853 -8.326 4.935 1.00 0.00 N ATOM 382 CA SER A 47 3.902 -9.737 4.458 1.00 0.00 C ATOM 383 C SER A 47 5.290 -10.121 3.921 1.00 0.00 C ATOM 384 O SER A 47 5.658 -11.279 3.952 1.00 0.00 O ATOM 385 CB SER A 47 2.868 -9.914 3.346 1.00 0.00 C ATOM 386 OG SER A 47 2.996 -8.855 2.409 1.00 0.00 O ATOM 0 H SER A 47 3.195 -7.729 4.434 1.00 0.00 H new ATOM 0 HA SER A 47 3.685 -10.388 5.305 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.013 -10.873 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.863 -9.922 3.767 1.00 0.00 H new ATOM 0 HG SER A 47 2.335 -8.968 1.695 1.00 0.00 H new ATOM 392 N VAL A 48 6.054 -9.185 3.408 1.00 0.00 N ATOM 393 CA VAL A 48 7.403 -9.539 2.846 1.00 0.00 C ATOM 394 C VAL A 48 8.530 -9.184 3.825 1.00 0.00 C ATOM 395 O VAL A 48 9.658 -8.979 3.424 1.00 0.00 O ATOM 396 CB VAL A 48 7.620 -8.803 1.515 1.00 0.00 C ATOM 397 CG1 VAL A 48 6.407 -9.018 0.605 1.00 0.00 C ATOM 398 CG2 VAL A 48 7.821 -7.302 1.749 1.00 0.00 C ATOM 0 H VAL A 48 5.807 -8.197 3.353 1.00 0.00 H new ATOM 0 HA VAL A 48 7.427 -10.616 2.680 1.00 0.00 H new ATOM 0 HB VAL A 48 8.515 -9.205 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.563 -8.495 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.281 -10.083 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.513 -8.629 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.973 -6.802 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.939 -6.889 2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.694 -7.146 2.382 1.00 0.00 H new ATOM 408 N LEU A 49 8.256 -9.131 5.105 1.00 0.00 N ATOM 409 CA LEU A 49 9.339 -8.816 6.083 1.00 0.00 C ATOM 410 C LEU A 49 9.965 -10.126 6.560 1.00 0.00 C ATOM 411 O LEU A 49 9.282 -11.032 6.994 1.00 0.00 O ATOM 412 CB LEU A 49 8.762 -8.082 7.298 1.00 0.00 C ATOM 413 CG LEU A 49 8.283 -6.672 6.921 1.00 0.00 C ATOM 414 CD1 LEU A 49 7.722 -6.004 8.181 1.00 0.00 C ATOM 415 CD2 LEU A 49 9.447 -5.829 6.364 1.00 0.00 C ATOM 0 H LEU A 49 7.334 -9.291 5.512 1.00 0.00 H new ATOM 0 HA LEU A 49 10.083 -8.183 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.930 -8.653 7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.520 -8.015 8.079 1.00 0.00 H new ATOM 0 HG LEU A 49 7.517 -6.743 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.375 -5.000 7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.888 -6.592 8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.503 -5.944 8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.084 -4.835 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.229 -5.744 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.853 -6.311 5.475 1.00 0.00 H new ATOM 427 N ILE A 50 11.261 -10.235 6.473 1.00 0.00 N ATOM 428 CA ILE A 50 11.949 -11.486 6.907 1.00 0.00 C ATOM 429 C ILE A 50 12.480 -11.338 8.333 1.00 0.00 C ATOM 430 O ILE A 50 13.320 -10.503 8.616 1.00 0.00 O ATOM 431 CB ILE A 50 13.115 -11.745 5.965 1.00 0.00 C ATOM 432 CG1 ILE A 50 12.621 -11.609 4.526 1.00 0.00 C ATOM 433 CG2 ILE A 50 13.671 -13.150 6.195 1.00 0.00 C ATOM 434 CD1 ILE A 50 13.731 -12.014 3.558 1.00 0.00 C ATOM 0 H ILE A 50 11.879 -9.506 6.117 1.00 0.00 H new ATOM 0 HA ILE A 50 11.242 -12.315 6.882 1.00 0.00 H new ATOM 0 HB ILE A 50 13.909 -11.023 6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.744 -12.238 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.314 -10.581 4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.505 -13.327 5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.016 -13.241 7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.889 -13.886 6.008 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.374 -11.915 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.596 -11.367 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.017 -13.049 3.745 1.00 0.00 H new ATOM 446 N ARG A 51 12.000 -12.162 9.227 1.00 0.00 N ATOM 447 CA ARG A 51 12.465 -12.117 10.647 1.00 0.00 C ATOM 448 C ARG A 51 12.755 -13.548 11.131 1.00 0.00 C ATOM 449 O ARG A 51 11.866 -14.235 11.592 1.00 0.00 O ATOM 450 CB ARG A 51 11.348 -11.525 11.513 1.00 0.00 C ATOM 451 CG ARG A 51 11.300 -10.011 11.324 1.00 0.00 C ATOM 452 CD ARG A 51 10.289 -9.408 12.301 1.00 0.00 C ATOM 453 NE ARG A 51 10.351 -7.920 12.226 1.00 0.00 N ATOM 454 CZ ARG A 51 9.704 -7.284 11.287 1.00 0.00 C ATOM 455 NH1 ARG A 51 9.002 -7.950 10.411 1.00 0.00 N ATOM 456 NH2 ARG A 51 9.759 -5.982 11.224 1.00 0.00 N ATOM 0 H ARG A 51 11.296 -12.874 9.032 1.00 0.00 H new ATOM 0 HA ARG A 51 13.367 -11.509 10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.390 -11.966 11.239 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.522 -11.765 12.562 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.287 -9.581 11.494 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.019 -9.770 10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.284 -9.753 12.060 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.505 -9.741 13.316 1.00 0.00 H new ATOM 0 HE ARG A 51 10.900 -7.398 12.909 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.959 -8.968 10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.497 -7.453 9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.307 -5.461 11.908 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.254 -5.485 10.490 1.00 0.00 H new ATOM 470 N PRO A 52 13.987 -13.993 11.053 1.00 0.00 N ATOM 471 CA PRO A 52 14.389 -15.345 11.513 1.00 0.00 C ATOM 472 C PRO A 52 14.992 -15.320 12.922 1.00 0.00 C ATOM 473 O PRO A 52 15.831 -16.132 13.257 1.00 0.00 O ATOM 474 CB PRO A 52 15.461 -15.702 10.494 1.00 0.00 C ATOM 475 CG PRO A 52 16.185 -14.405 10.267 1.00 0.00 C ATOM 476 CD PRO A 52 15.151 -13.279 10.494 1.00 0.00 C ATOM 0 HA PRO A 52 13.555 -16.044 11.574 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.132 -16.474 10.872 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.024 -16.083 9.571 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.025 -14.304 10.954 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.592 -14.360 9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.526 -12.521 11.182 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.901 -12.769 9.564 1.00 0.00 H new ATOM 484 N LEU A 53 14.598 -14.373 13.737 1.00 0.00 N ATOM 485 CA LEU A 53 15.179 -14.270 15.116 1.00 0.00 C ATOM 486 C LEU A 53 14.063 -13.933 16.134 1.00 0.00 C ATOM 487 O LEU A 53 13.609 -12.807 16.189 1.00 0.00 O ATOM 488 CB LEU A 53 16.231 -13.138 15.083 1.00 0.00 C ATOM 489 CG LEU A 53 17.415 -13.426 16.030 1.00 0.00 C ATOM 490 CD1 LEU A 53 18.181 -14.694 15.580 1.00 0.00 C ATOM 491 CD2 LEU A 53 18.368 -12.218 16.008 1.00 0.00 C ATOM 0 H LEU A 53 13.899 -13.666 13.509 1.00 0.00 H new ATOM 0 HA LEU A 53 15.636 -15.212 15.418 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.601 -13.016 14.065 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.760 -12.196 15.366 1.00 0.00 H new ATOM 0 HG LEU A 53 17.035 -13.593 17.038 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.011 -14.878 16.261 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.506 -15.550 15.591 1.00 0.00 H new ATOM 0 HD13 LEU A 53 18.566 -14.548 14.571 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.211 -12.407 16.673 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.735 -12.062 14.993 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.835 -11.328 16.342 1.00 0.00 H new ATOM 503 N PRO A 54 13.619 -14.883 16.941 1.00 0.00 N ATOM 504 CA PRO A 54 12.546 -14.626 17.953 1.00 0.00 C ATOM 505 C PRO A 54 12.830 -13.377 18.799 1.00 0.00 C ATOM 506 O PRO A 54 13.908 -12.818 18.755 1.00 0.00 O ATOM 507 CB PRO A 54 12.559 -15.887 18.828 1.00 0.00 C ATOM 508 CG PRO A 54 13.067 -16.967 17.931 1.00 0.00 C ATOM 509 CD PRO A 54 14.072 -16.294 16.990 1.00 0.00 C ATOM 0 HA PRO A 54 11.582 -14.436 17.481 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.204 -15.759 19.697 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.562 -16.119 19.202 1.00 0.00 H new ATOM 0 HG2 PRO A 54 13.542 -17.761 18.507 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.252 -17.424 17.370 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.091 -16.374 17.369 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.063 -16.752 16.001 1.00 0.00 H new ATOM 517 N SER A 55 11.870 -12.938 19.571 1.00 0.00 N ATOM 518 CA SER A 55 12.087 -11.729 20.419 1.00 0.00 C ATOM 519 C SER A 55 11.123 -11.752 21.607 1.00 0.00 C ATOM 520 O SER A 55 10.141 -12.469 21.612 1.00 0.00 O ATOM 521 CB SER A 55 11.829 -10.471 19.589 1.00 0.00 C ATOM 522 OG SER A 55 12.902 -10.274 18.680 1.00 0.00 O ATOM 0 H SER A 55 10.947 -13.364 19.651 1.00 0.00 H new ATOM 0 HA SER A 55 13.114 -11.727 20.783 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.890 -10.568 19.044 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.729 -9.605 20.243 1.00 0.00 H new ATOM 0 HG SER A 55 13.447 -11.087 18.636 1.00 0.00 H new ATOM 528 N VAL A 56 11.396 -10.958 22.612 1.00 0.00 N ATOM 529 CA VAL A 56 10.508 -10.900 23.814 1.00 0.00 C ATOM 530 C VAL A 56 9.715 -9.593 23.777 1.00 0.00 C ATOM 531 O VAL A 56 10.271 -8.518 23.882 1.00 0.00 O ATOM 532 CB VAL A 56 11.365 -10.938 25.081 1.00 0.00 C ATOM 533 CG1 VAL A 56 10.464 -10.804 26.311 1.00 0.00 C ATOM 534 CG2 VAL A 56 12.121 -12.266 25.146 1.00 0.00 C ATOM 0 H VAL A 56 12.206 -10.340 22.651 1.00 0.00 H new ATOM 0 HA VAL A 56 9.825 -11.750 23.814 1.00 0.00 H new ATOM 0 HB VAL A 56 12.078 -10.114 25.061 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.074 -10.831 27.214 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.925 -9.858 26.266 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.750 -11.628 26.331 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.732 -12.293 26.049 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.408 -13.090 25.165 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.763 -12.362 24.270 1.00 0.00 H new ATOM 544 N LEU A 57 8.419 -9.672 23.610 1.00 0.00 N ATOM 545 CA LEU A 57 7.590 -8.429 23.545 1.00 0.00 C ATOM 546 C LEU A 57 6.964 -8.117 24.898 1.00 0.00 C ATOM 547 O LEU A 57 6.588 -8.990 25.654 1.00 0.00 O ATOM 548 CB LEU A 57 6.461 -8.604 22.536 1.00 0.00 C ATOM 549 CG LEU A 57 7.030 -8.959 21.159 1.00 0.00 C ATOM 550 CD1 LEU A 57 5.867 -9.187 20.188 1.00 0.00 C ATOM 551 CD2 LEU A 57 7.916 -7.810 20.649 1.00 0.00 C ATOM 0 H LEU A 57 7.898 -10.544 23.516 1.00 0.00 H new ATOM 0 HA LEU A 57 8.248 -7.613 23.248 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.783 -9.389 22.871 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.877 -7.686 22.470 1.00 0.00 H new ATOM 0 HG LEU A 57 7.634 -9.863 21.231 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.260 -9.441 19.203 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.244 -10.004 20.552 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.269 -8.279 20.117 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.318 -8.068 19.669 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.321 -6.900 20.569 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.737 -7.647 21.347 1.00 0.00 H new ATOM 563 N ASP A 58 6.834 -6.855 25.178 1.00 0.00 N ATOM 564 CA ASP A 58 6.213 -6.393 26.446 1.00 0.00 C ATOM 565 C ASP A 58 4.777 -5.925 26.118 1.00 0.00 C ATOM 566 O ASP A 58 4.576 -5.219 25.151 1.00 0.00 O ATOM 567 CB ASP A 58 7.053 -5.225 26.970 1.00 0.00 C ATOM 568 CG ASP A 58 6.266 -4.416 28.005 1.00 0.00 C ATOM 569 OD1 ASP A 58 5.281 -3.809 27.626 1.00 0.00 O ATOM 570 OD2 ASP A 58 6.664 -4.420 29.158 1.00 0.00 O ATOM 0 H ASP A 58 7.141 -6.102 24.562 1.00 0.00 H new ATOM 0 HA ASP A 58 6.174 -7.179 27.200 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.972 -5.603 27.418 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.345 -4.580 26.142 1.00 0.00 H new ATOM 575 N PRO A 59 3.780 -6.318 26.882 1.00 0.00 N ATOM 576 CA PRO A 59 2.364 -5.922 26.602 1.00 0.00 C ATOM 577 C PRO A 59 2.054 -4.467 26.986 1.00 0.00 C ATOM 578 O PRO A 59 1.067 -3.903 26.557 1.00 0.00 O ATOM 579 CB PRO A 59 1.551 -6.897 27.465 1.00 0.00 C ATOM 580 CG PRO A 59 2.437 -7.195 28.631 1.00 0.00 C ATOM 581 CD PRO A 59 3.872 -7.173 28.086 1.00 0.00 C ATOM 0 HA PRO A 59 2.135 -5.972 25.537 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.609 -6.452 27.786 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.303 -7.804 26.913 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.307 -6.454 29.419 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.199 -8.166 29.064 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.571 -6.763 28.815 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.221 -8.175 27.839 1.00 0.00 H new ATOM 589 N ALA A 60 2.877 -3.857 27.794 1.00 0.00 N ATOM 590 CA ALA A 60 2.615 -2.447 28.206 1.00 0.00 C ATOM 591 C ALA A 60 3.219 -1.480 27.182 1.00 0.00 C ATOM 592 O ALA A 60 2.606 -0.504 26.796 1.00 0.00 O ATOM 593 CB ALA A 60 3.242 -2.206 29.582 1.00 0.00 C ATOM 0 H ALA A 60 3.721 -4.274 28.188 1.00 0.00 H new ATOM 0 HA ALA A 60 1.540 -2.275 28.256 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.056 -1.178 29.892 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.801 -2.889 30.308 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.317 -2.379 29.528 1.00 0.00 H new ATOM 599 N LYS A 61 4.422 -1.737 26.748 1.00 0.00 N ATOM 600 CA LYS A 61 5.075 -0.833 25.765 1.00 0.00 C ATOM 601 C LYS A 61 4.356 -0.932 24.408 1.00 0.00 C ATOM 602 O LYS A 61 4.285 0.028 23.667 1.00 0.00 O ATOM 603 CB LYS A 61 6.567 -1.228 25.632 1.00 0.00 C ATOM 604 CG LYS A 61 7.455 0.020 25.657 1.00 0.00 C ATOM 605 CD LYS A 61 8.902 -0.367 25.328 1.00 0.00 C ATOM 606 CE LYS A 61 9.459 -1.294 26.416 1.00 0.00 C ATOM 607 NZ LYS A 61 10.948 -1.252 26.384 1.00 0.00 N ATOM 0 H LYS A 61 4.982 -2.540 27.035 1.00 0.00 H new ATOM 0 HA LYS A 61 5.012 0.200 26.106 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.846 -1.897 26.446 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.723 -1.775 24.702 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.091 0.751 24.935 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.409 0.491 26.639 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.942 -0.865 24.359 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.518 0.529 25.252 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.096 -0.983 27.396 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.109 -2.314 26.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.329 -1.880 27.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.284 -1.568 25.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.272 -0.279 26.557 1.00 0.00 H new ATOM 621 N VAL A 62 3.818 -2.078 24.077 1.00 0.00 N ATOM 622 CA VAL A 62 3.108 -2.212 22.772 1.00 0.00 C ATOM 623 C VAL A 62 1.830 -1.369 22.812 1.00 0.00 C ATOM 624 O VAL A 62 1.432 -0.781 21.826 1.00 0.00 O ATOM 625 CB VAL A 62 2.750 -3.684 22.524 1.00 0.00 C ATOM 626 CG1 VAL A 62 1.822 -3.791 21.310 1.00 0.00 C ATOM 627 CG2 VAL A 62 4.027 -4.485 22.256 1.00 0.00 C ATOM 0 H VAL A 62 3.840 -2.921 24.651 1.00 0.00 H new ATOM 0 HA VAL A 62 3.753 -1.864 21.965 1.00 0.00 H new ATOM 0 HB VAL A 62 2.246 -4.084 23.404 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.569 -4.837 21.136 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.910 -3.224 21.498 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.325 -3.388 20.431 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.771 -5.530 22.080 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.532 -4.082 21.378 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.689 -4.414 23.119 1.00 0.00 H new ATOM 637 N GLN A 63 1.190 -1.300 23.947 1.00 0.00 N ATOM 638 CA GLN A 63 -0.056 -0.488 24.048 1.00 0.00 C ATOM 639 C GLN A 63 0.305 0.988 23.849 1.00 0.00 C ATOM 640 O GLN A 63 -0.438 1.746 23.258 1.00 0.00 O ATOM 641 CB GLN A 63 -0.694 -0.692 25.435 1.00 0.00 C ATOM 642 CG GLN A 63 -1.627 -1.912 25.413 1.00 0.00 C ATOM 643 CD GLN A 63 -2.942 -1.540 24.722 1.00 0.00 C ATOM 644 OE1 GLN A 63 -3.039 -0.506 24.092 1.00 0.00 O ATOM 645 NE2 GLN A 63 -3.964 -2.347 24.814 1.00 0.00 N ATOM 0 H GLN A 63 1.475 -1.769 24.807 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.770 -0.799 23.285 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.085 -0.833 26.185 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.254 0.199 25.721 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.149 -2.739 24.887 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.822 -2.252 26.430 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.882 -3.215 25.343 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.844 -2.109 24.357 1.00 0.00 H new ATOM 654 N SER A 64 1.445 1.398 24.335 1.00 0.00 N ATOM 655 CA SER A 64 1.858 2.819 24.171 1.00 0.00 C ATOM 656 C SER A 64 2.095 3.114 22.688 1.00 0.00 C ATOM 657 O SER A 64 1.782 4.181 22.199 1.00 0.00 O ATOM 658 CB SER A 64 3.149 3.069 24.953 1.00 0.00 C ATOM 659 OG SER A 64 3.473 4.451 24.904 1.00 0.00 O ATOM 0 H SER A 64 2.108 0.809 24.839 1.00 0.00 H new ATOM 0 HA SER A 64 1.071 3.471 24.550 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.027 2.750 25.988 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.962 2.479 24.531 1.00 0.00 H new ATOM 0 HG SER A 64 4.299 4.611 25.406 1.00 0.00 H new ATOM 665 N LEU A 65 2.646 2.175 21.965 1.00 0.00 N ATOM 666 CA LEU A 65 2.901 2.398 20.519 1.00 0.00 C ATOM 667 C LEU A 65 1.579 2.256 19.757 1.00 0.00 C ATOM 668 O LEU A 65 1.260 3.050 18.894 1.00 0.00 O ATOM 669 CB LEU A 65 3.924 1.353 20.035 1.00 0.00 C ATOM 670 CG LEU A 65 5.358 1.919 20.144 1.00 0.00 C ATOM 671 CD1 LEU A 65 6.363 0.766 20.241 1.00 0.00 C ATOM 672 CD2 LEU A 65 5.683 2.774 18.911 1.00 0.00 C ATOM 0 H LEU A 65 2.930 1.261 22.319 1.00 0.00 H new ATOM 0 HA LEU A 65 3.302 3.396 20.343 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.837 0.445 20.632 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.712 1.077 19.002 1.00 0.00 H new ATOM 0 HG LEU A 65 5.425 2.539 21.038 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.373 1.169 20.318 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.144 0.166 21.124 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.288 0.142 19.350 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.696 3.168 18.998 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.608 2.161 18.013 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.976 3.601 18.845 1.00 0.00 H new ATOM 684 N VAL A 66 0.802 1.261 20.080 1.00 0.00 N ATOM 685 CA VAL A 66 -0.500 1.078 19.389 1.00 0.00 C ATOM 686 C VAL A 66 -1.304 2.376 19.525 1.00 0.00 C ATOM 687 O VAL A 66 -2.054 2.753 18.645 1.00 0.00 O ATOM 688 CB VAL A 66 -1.243 -0.089 20.059 1.00 0.00 C ATOM 689 CG1 VAL A 66 -2.727 -0.069 19.692 1.00 0.00 C ATOM 690 CG2 VAL A 66 -0.626 -1.413 19.599 1.00 0.00 C ATOM 0 H VAL A 66 1.015 0.566 20.795 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.360 0.853 18.332 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.150 0.013 21.140 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.233 -0.904 20.177 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.172 0.869 20.026 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.836 -0.158 18.611 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.151 -2.243 20.072 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.714 -1.499 18.516 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.427 -1.441 19.881 1.00 0.00 H new ATOM 700 N ASP A 67 -1.144 3.063 20.622 1.00 0.00 N ATOM 701 CA ASP A 67 -1.881 4.338 20.832 1.00 0.00 C ATOM 702 C ASP A 67 -1.221 5.460 20.018 1.00 0.00 C ATOM 703 O ASP A 67 -1.886 6.341 19.511 1.00 0.00 O ATOM 704 CB ASP A 67 -1.839 4.691 22.323 1.00 0.00 C ATOM 705 CG ASP A 67 -2.895 3.878 23.078 1.00 0.00 C ATOM 706 OD1 ASP A 67 -3.407 2.931 22.505 1.00 0.00 O ATOM 707 OD2 ASP A 67 -3.172 4.218 24.217 1.00 0.00 O ATOM 0 H ASP A 67 -0.528 2.792 21.388 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.915 4.225 20.505 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.849 4.483 22.728 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.021 5.757 22.459 1.00 0.00 H new ATOM 712 N THR A 68 0.080 5.442 19.899 1.00 0.00 N ATOM 713 CA THR A 68 0.773 6.514 19.130 1.00 0.00 C ATOM 714 C THR A 68 0.390 6.408 17.653 1.00 0.00 C ATOM 715 O THR A 68 -0.021 7.371 17.036 1.00 0.00 O ATOM 716 CB THR A 68 2.289 6.348 19.284 1.00 0.00 C ATOM 717 OG1 THR A 68 2.592 6.038 20.638 1.00 0.00 O ATOM 718 CG2 THR A 68 2.992 7.646 18.888 1.00 0.00 C ATOM 0 H THR A 68 0.692 4.732 20.301 1.00 0.00 H new ATOM 0 HA THR A 68 0.475 7.491 19.510 1.00 0.00 H new ATOM 0 HB THR A 68 2.634 5.541 18.637 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.315 5.118 20.833 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.070 7.525 18.999 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.758 7.884 17.850 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.650 8.456 19.532 1.00 0.00 H new ATOM 726 N ILE A 69 0.520 5.243 17.084 1.00 0.00 N ATOM 727 CA ILE A 69 0.163 5.067 15.651 1.00 0.00 C ATOM 728 C ILE A 69 -1.301 5.473 15.443 1.00 0.00 C ATOM 729 O ILE A 69 -1.650 6.097 14.461 1.00 0.00 O ATOM 730 CB ILE A 69 0.360 3.596 15.260 1.00 0.00 C ATOM 731 CG1 ILE A 69 1.805 3.182 15.580 1.00 0.00 C ATOM 732 CG2 ILE A 69 0.093 3.417 13.756 1.00 0.00 C ATOM 733 CD1 ILE A 69 2.099 1.795 15.003 1.00 0.00 C ATOM 0 H ILE A 69 0.859 4.403 17.552 1.00 0.00 H new ATOM 0 HA ILE A 69 0.801 5.693 15.027 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.336 2.972 15.821 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.500 3.911 15.164 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.958 3.175 16.659 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.234 2.371 13.483 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.931 3.716 13.530 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.786 4.037 13.187 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.126 1.514 15.237 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.415 1.067 15.439 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.966 1.815 13.921 1.00 0.00 H new ATOM 745 N ARG A 70 -2.159 5.113 16.357 1.00 0.00 N ATOM 746 CA ARG A 70 -3.604 5.464 16.215 1.00 0.00 C ATOM 747 C ARG A 70 -3.827 6.948 16.558 1.00 0.00 C ATOM 748 O ARG A 70 -4.698 7.591 16.006 1.00 0.00 O ATOM 749 CB ARG A 70 -4.435 4.568 17.165 1.00 0.00 C ATOM 750 CG ARG A 70 -4.958 3.338 16.412 1.00 0.00 C ATOM 751 CD ARG A 70 -5.781 2.469 17.365 1.00 0.00 C ATOM 752 NE ARG A 70 -6.286 1.272 16.635 1.00 0.00 N ATOM 753 CZ ARG A 70 -6.858 0.300 17.292 1.00 0.00 C ATOM 754 NH1 ARG A 70 -6.989 0.378 18.588 1.00 0.00 N ATOM 755 NH2 ARG A 70 -7.300 -0.748 16.653 1.00 0.00 N ATOM 0 H ARG A 70 -1.923 4.589 17.200 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.920 5.298 15.185 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.821 4.253 18.009 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.271 5.136 17.573 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.571 3.649 15.566 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.124 2.764 16.008 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.169 2.160 18.212 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.616 3.042 17.767 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.185 1.212 15.622 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.645 1.198 19.087 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.436 -0.381 19.102 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.199 -0.808 15.640 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.747 -1.508 17.167 1.00 0.00 H new ATOM 769 N GLU A 71 -3.063 7.496 17.465 1.00 0.00 N ATOM 770 CA GLU A 71 -3.253 8.930 17.835 1.00 0.00 C ATOM 771 C GLU A 71 -2.474 9.822 16.868 1.00 0.00 C ATOM 772 O GLU A 71 -2.907 10.901 16.516 1.00 0.00 O ATOM 773 CB GLU A 71 -2.740 9.158 19.258 1.00 0.00 C ATOM 774 CG GLU A 71 -3.091 10.578 19.703 1.00 0.00 C ATOM 775 CD GLU A 71 -2.626 10.791 21.145 1.00 0.00 C ATOM 776 OE1 GLU A 71 -1.428 10.896 21.350 1.00 0.00 O ATOM 777 OE2 GLU A 71 -3.476 10.845 22.018 1.00 0.00 O ATOM 0 H GLU A 71 -2.316 7.014 17.965 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.313 9.179 17.781 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.185 8.432 19.938 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.661 9.010 19.295 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.615 11.305 19.045 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.167 10.738 19.629 1.00 0.00 H new ATOM 784 N ASP A 72 -1.322 9.383 16.444 1.00 0.00 N ATOM 785 CA ASP A 72 -0.506 10.208 15.507 1.00 0.00 C ATOM 786 C ASP A 72 0.496 9.300 14.764 1.00 0.00 C ATOM 787 O ASP A 72 1.495 8.909 15.333 1.00 0.00 O ATOM 788 CB ASP A 72 0.268 11.247 16.318 1.00 0.00 C ATOM 789 CG ASP A 72 0.877 12.284 15.372 1.00 0.00 C ATOM 790 OD1 ASP A 72 1.812 11.939 14.669 1.00 0.00 O ATOM 791 OD2 ASP A 72 0.398 13.406 15.368 1.00 0.00 O ATOM 0 H ASP A 72 -0.909 8.488 16.705 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.156 10.701 14.784 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.396 11.736 17.031 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.054 10.761 16.896 1.00 0.00 H new ATOM 796 N PRO A 73 0.247 8.943 13.515 1.00 0.00 N ATOM 797 CA PRO A 73 1.180 8.048 12.757 1.00 0.00 C ATOM 798 C PRO A 73 2.514 8.725 12.387 1.00 0.00 C ATOM 799 O PRO A 73 3.493 8.060 12.112 1.00 0.00 O ATOM 800 CB PRO A 73 0.381 7.667 11.499 1.00 0.00 C ATOM 801 CG PRO A 73 -0.579 8.795 11.293 1.00 0.00 C ATOM 802 CD PRO A 73 -0.924 9.327 12.688 1.00 0.00 C ATOM 0 HA PRO A 73 1.481 7.190 13.358 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.037 7.545 10.637 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.144 6.722 11.636 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.134 9.577 10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.475 8.453 10.775 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.070 10.407 12.679 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.844 8.884 13.068 1.00 0.00 H new ATOM 810 N ASP A 74 2.566 10.031 12.369 1.00 0.00 N ATOM 811 CA ASP A 74 3.841 10.722 12.006 1.00 0.00 C ATOM 812 C ASP A 74 4.759 10.827 13.232 1.00 0.00 C ATOM 813 O ASP A 74 5.959 10.967 13.105 1.00 0.00 O ATOM 814 CB ASP A 74 3.524 12.127 11.490 1.00 0.00 C ATOM 815 CG ASP A 74 2.912 12.031 10.091 1.00 0.00 C ATOM 816 OD1 ASP A 74 2.812 10.925 9.585 1.00 0.00 O ATOM 817 OD2 ASP A 74 2.554 13.064 9.550 1.00 0.00 O ATOM 0 H ASP A 74 1.784 10.648 12.589 1.00 0.00 H new ATOM 0 HA ASP A 74 4.349 10.146 11.232 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.832 12.627 12.168 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.432 12.729 11.461 1.00 0.00 H new ATOM 822 N SER A 75 4.210 10.770 14.415 1.00 0.00 N ATOM 823 CA SER A 75 5.059 10.877 15.639 1.00 0.00 C ATOM 824 C SER A 75 5.808 9.563 15.877 1.00 0.00 C ATOM 825 O SER A 75 6.344 9.338 16.944 1.00 0.00 O ATOM 826 CB SER A 75 4.174 11.168 16.851 1.00 0.00 C ATOM 827 OG SER A 75 3.631 12.475 16.740 1.00 0.00 O ATOM 0 H SER A 75 3.212 10.654 14.588 1.00 0.00 H new ATOM 0 HA SER A 75 5.778 11.684 15.498 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.371 10.433 16.913 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.756 11.082 17.768 1.00 0.00 H new ATOM 0 HG SER A 75 3.062 12.660 17.516 1.00 0.00 H new ATOM 833 N VAL A 76 5.844 8.692 14.895 1.00 0.00 N ATOM 834 CA VAL A 76 6.554 7.380 15.057 1.00 0.00 C ATOM 835 C VAL A 76 7.591 7.220 13.924 1.00 0.00 C ATOM 836 O VAL A 76 7.258 6.786 12.839 1.00 0.00 O ATOM 837 CB VAL A 76 5.521 6.242 14.975 1.00 0.00 C ATOM 838 CG1 VAL A 76 6.058 4.986 15.689 1.00 0.00 C ATOM 839 CG2 VAL A 76 4.219 6.697 15.643 1.00 0.00 C ATOM 0 H VAL A 76 5.410 8.834 13.983 1.00 0.00 H new ATOM 0 HA VAL A 76 7.063 7.346 16.020 1.00 0.00 H new ATOM 0 HB VAL A 76 5.334 5.999 13.929 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.319 4.187 15.625 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.983 4.664 15.211 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.252 5.218 16.736 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.483 5.895 15.588 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.412 6.942 16.687 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.835 7.578 15.129 1.00 0.00 H new ATOM 849 N PRO A 77 8.834 7.573 14.167 1.00 0.00 N ATOM 850 CA PRO A 77 9.919 7.470 13.139 1.00 0.00 C ATOM 851 C PRO A 77 10.004 6.065 12.504 1.00 0.00 C ATOM 852 O PRO A 77 9.592 5.090 13.100 1.00 0.00 O ATOM 853 CB PRO A 77 11.202 7.781 13.931 1.00 0.00 C ATOM 854 CG PRO A 77 10.750 8.600 15.098 1.00 0.00 C ATOM 855 CD PRO A 77 9.344 8.108 15.442 1.00 0.00 C ATOM 0 HA PRO A 77 9.745 8.147 12.303 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.695 6.866 14.259 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.920 8.328 13.320 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.424 8.476 15.945 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.742 9.661 14.849 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.367 7.341 16.216 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.717 8.918 15.815 1.00 0.00 H new ATOM 863 N PRO A 78 10.551 5.961 11.312 1.00 0.00 N ATOM 864 CA PRO A 78 10.707 4.651 10.606 1.00 0.00 C ATOM 865 C PRO A 78 11.832 3.810 11.216 1.00 0.00 C ATOM 866 O PRO A 78 12.589 4.276 12.044 1.00 0.00 O ATOM 867 CB PRO A 78 11.055 5.056 9.169 1.00 0.00 C ATOM 868 CG PRO A 78 11.738 6.378 9.305 1.00 0.00 C ATOM 869 CD PRO A 78 11.080 7.076 10.499 1.00 0.00 C ATOM 0 HA PRO A 78 9.811 4.034 10.676 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.706 4.320 8.696 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.160 5.134 8.551 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.808 6.249 9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.625 6.970 8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.799 7.673 11.059 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.285 7.750 10.180 1.00 0.00 H new ATOM 877 N ILE A 79 11.944 2.576 10.804 1.00 0.00 N ATOM 878 CA ILE A 79 13.018 1.681 11.343 1.00 0.00 C ATOM 879 C ILE A 79 14.069 1.436 10.259 1.00 0.00 C ATOM 880 O ILE A 79 13.855 1.722 9.099 1.00 0.00 O ATOM 881 CB ILE A 79 12.394 0.344 11.752 1.00 0.00 C ATOM 882 CG1 ILE A 79 11.421 -0.114 10.658 1.00 0.00 C ATOM 883 CG2 ILE A 79 11.643 0.508 13.080 1.00 0.00 C ATOM 884 CD1 ILE A 79 11.119 -1.601 10.836 1.00 0.00 C ATOM 0 H ILE A 79 11.334 2.143 10.111 1.00 0.00 H new ATOM 0 HA ILE A 79 13.489 2.151 12.206 1.00 0.00 H new ATOM 0 HB ILE A 79 13.178 -0.402 11.878 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.499 0.464 10.711 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.853 0.065 9.674 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.200 -0.446 13.368 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.339 0.833 13.854 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.856 1.253 12.963 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.428 -1.927 10.059 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.045 -2.172 10.761 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.669 -1.766 11.815 1.00 0.00 H new ATOM 896 N ASP A 80 15.202 0.896 10.625 1.00 0.00 N ATOM 897 CA ASP A 80 16.264 0.620 9.613 1.00 0.00 C ATOM 898 C ASP A 80 16.076 -0.798 9.079 1.00 0.00 C ATOM 899 O ASP A 80 15.752 -1.711 9.813 1.00 0.00 O ATOM 900 CB ASP A 80 17.644 0.753 10.263 1.00 0.00 C ATOM 901 CG ASP A 80 18.723 0.210 9.320 1.00 0.00 C ATOM 902 OD1 ASP A 80 18.645 0.495 8.136 1.00 0.00 O ATOM 903 OD2 ASP A 80 19.607 -0.480 9.799 1.00 0.00 O ATOM 0 H ASP A 80 15.438 0.634 11.582 1.00 0.00 H new ATOM 0 HA ASP A 80 16.191 1.335 8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.846 1.798 10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.665 0.206 11.206 1.00 0.00 H new ATOM 908 N VAL A 81 16.264 -0.984 7.803 1.00 0.00 N ATOM 909 CA VAL A 81 16.086 -2.341 7.198 1.00 0.00 C ATOM 910 C VAL A 81 17.183 -2.587 6.154 1.00 0.00 C ATOM 911 O VAL A 81 17.539 -1.711 5.391 1.00 0.00 O ATOM 912 CB VAL A 81 14.686 -2.408 6.559 1.00 0.00 C ATOM 913 CG1 VAL A 81 14.604 -3.535 5.524 1.00 0.00 C ATOM 914 CG2 VAL A 81 13.645 -2.661 7.656 1.00 0.00 C ATOM 0 H VAL A 81 16.535 -0.252 7.146 1.00 0.00 H new ATOM 0 HA VAL A 81 16.169 -3.116 7.960 1.00 0.00 H new ATOM 0 HB VAL A 81 14.491 -1.461 6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.605 -3.558 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.338 -3.360 4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.811 -4.489 6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.651 -2.710 7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.865 -3.604 8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.678 -1.849 8.383 1.00 0.00 H new ATOM 924 N LEU A 82 17.720 -3.779 6.122 1.00 0.00 N ATOM 925 CA LEU A 82 18.795 -4.099 5.138 1.00 0.00 C ATOM 926 C LEU A 82 18.163 -4.571 3.826 1.00 0.00 C ATOM 927 O LEU A 82 17.380 -5.500 3.798 1.00 0.00 O ATOM 928 CB LEU A 82 19.684 -5.215 5.697 1.00 0.00 C ATOM 929 CG LEU A 82 20.233 -4.816 7.082 1.00 0.00 C ATOM 930 CD1 LEU A 82 20.628 -6.072 7.860 1.00 0.00 C ATOM 931 CD2 LEU A 82 21.467 -3.922 6.920 1.00 0.00 C ATOM 0 H LEU A 82 17.458 -4.548 6.739 1.00 0.00 H new ATOM 0 HA LEU A 82 19.395 -3.207 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 82 19.112 -6.140 5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 82 20.510 -5.409 5.013 1.00 0.00 H new ATOM 0 HG LEU A 82 19.459 -4.273 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.016 -5.787 8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 82 19.754 -6.711 7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.396 -6.615 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 82 21.848 -3.645 7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 82 22.238 -4.462 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.194 -3.021 6.370 1.00 0.00 H new ATOM 943 N TRP A 83 18.500 -3.931 2.739 1.00 0.00 N ATOM 944 CA TRP A 83 17.936 -4.315 1.410 1.00 0.00 C ATOM 945 C TRP A 83 19.003 -5.094 0.633 1.00 0.00 C ATOM 946 O TRP A 83 20.021 -4.548 0.256 1.00 0.00 O ATOM 947 CB TRP A 83 17.586 -3.022 0.675 1.00 0.00 C ATOM 948 CG TRP A 83 17.054 -3.269 -0.705 1.00 0.00 C ATOM 949 CD1 TRP A 83 16.596 -4.446 -1.211 1.00 0.00 C ATOM 950 CD2 TRP A 83 16.921 -2.292 -1.769 1.00 0.00 C ATOM 951 NE1 TRP A 83 16.196 -4.237 -2.522 1.00 0.00 N ATOM 952 CE2 TRP A 83 16.381 -2.924 -2.910 1.00 0.00 C ATOM 953 CE3 TRP A 83 17.222 -0.922 -1.844 1.00 0.00 C ATOM 954 CZ2 TRP A 83 16.148 -2.216 -4.092 1.00 0.00 C ATOM 955 CZ3 TRP A 83 16.991 -0.208 -3.030 1.00 0.00 C ATOM 956 CH2 TRP A 83 16.456 -0.855 -4.151 1.00 0.00 C ATOM 0 H TRP A 83 19.152 -3.147 2.714 1.00 0.00 H new ATOM 0 HA TRP A 83 17.049 -4.940 1.513 1.00 0.00 H new ATOM 0 HB2 TRP A 83 16.845 -2.469 1.253 1.00 0.00 H new ATOM 0 HB3 TRP A 83 18.474 -2.393 0.611 1.00 0.00 H new ATOM 0 HD1 TRP A 83 16.551 -5.386 -0.680 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.812 -4.964 -3.126 1.00 0.00 H new ATOM 0 HE3 TRP A 83 17.634 -0.415 -0.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.733 -2.718 -4.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.227 0.845 -3.078 1.00 0.00 H new ATOM 0 HH2 TRP A 83 16.282 -0.301 -5.062 1.00 0.00 H new ATOM 967 N ILE A 84 18.789 -6.371 0.406 1.00 0.00 N ATOM 968 CA ILE A 84 19.803 -7.199 -0.329 1.00 0.00 C ATOM 969 C ILE A 84 19.129 -7.947 -1.482 1.00 0.00 C ATOM 970 O ILE A 84 17.984 -8.344 -1.397 1.00 0.00 O ATOM 971 CB ILE A 84 20.425 -8.207 0.644 1.00 0.00 C ATOM 972 CG1 ILE A 84 20.939 -7.462 1.876 1.00 0.00 C ATOM 973 CG2 ILE A 84 21.599 -8.924 -0.029 1.00 0.00 C ATOM 974 CD1 ILE A 84 21.621 -8.451 2.820 1.00 0.00 C ATOM 0 H ILE A 84 17.953 -6.877 0.699 1.00 0.00 H new ATOM 0 HA ILE A 84 20.579 -6.549 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 84 19.671 -8.939 0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 84 21.642 -6.684 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.113 -6.967 2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 84 22.037 -9.639 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 84 21.244 -9.451 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 84 22.353 -8.193 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.988 -7.921 3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.905 -9.213 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 84 22.457 -8.926 2.307 1.00 0.00 H new ATOM 986 N LYS A 85 19.844 -8.136 -2.566 1.00 0.00 N ATOM 987 CA LYS A 85 19.278 -8.851 -3.754 1.00 0.00 C ATOM 988 C LYS A 85 19.919 -10.234 -3.872 1.00 0.00 C ATOM 989 O LYS A 85 20.996 -10.482 -3.366 1.00 0.00 O ATOM 990 CB LYS A 85 19.575 -8.033 -5.022 1.00 0.00 C ATOM 991 CG LYS A 85 18.483 -6.990 -5.231 1.00 0.00 C ATOM 992 CD LYS A 85 18.841 -6.087 -6.417 1.00 0.00 C ATOM 993 CE LYS A 85 17.584 -5.380 -6.925 1.00 0.00 C ATOM 994 NZ LYS A 85 16.745 -4.980 -5.764 1.00 0.00 N ATOM 0 H LYS A 85 20.808 -7.821 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 85 18.200 -8.965 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.545 -7.544 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.630 -8.693 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.528 -7.483 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.364 -6.390 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.586 -5.351 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.285 -6.680 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.857 -4.502 -7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.022 -6.041 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.817 -4.654 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.616 -5.795 -5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.214 -4.210 -5.245 1.00 0.00 H new ATOM 1008 N GLY A 86 19.250 -11.139 -4.536 1.00 0.00 N ATOM 1009 CA GLY A 86 19.791 -12.521 -4.696 1.00 0.00 C ATOM 1010 C GLY A 86 20.465 -12.674 -6.060 1.00 0.00 C ATOM 1011 O GLY A 86 20.680 -11.717 -6.777 1.00 0.00 O ATOM 0 H GLY A 86 18.345 -10.979 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.508 -12.732 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.985 -13.248 -4.598 1.00 0.00 H new ATOM 1015 N ALA A 87 20.809 -13.883 -6.409 1.00 0.00 N ATOM 1016 CA ALA A 87 21.483 -14.136 -7.713 1.00 0.00 C ATOM 1017 C ALA A 87 20.521 -13.879 -8.883 1.00 0.00 C ATOM 1018 O ALA A 87 20.922 -13.919 -10.029 1.00 0.00 O ATOM 1019 CB ALA A 87 21.958 -15.594 -7.752 1.00 0.00 C ATOM 0 H ALA A 87 20.650 -14.715 -5.840 1.00 0.00 H new ATOM 0 HA ALA A 87 22.332 -13.459 -7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 87 22.453 -15.790 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.658 -15.771 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 87 21.101 -16.259 -7.645 1.00 0.00 H new ATOM 1025 N GLN A 88 19.257 -13.630 -8.613 1.00 0.00 N ATOM 1026 CA GLN A 88 18.275 -13.390 -9.726 1.00 0.00 C ATOM 1027 C GLN A 88 17.481 -12.100 -9.478 1.00 0.00 C ATOM 1028 O GLN A 88 16.338 -11.979 -9.874 1.00 0.00 O ATOM 1029 CB GLN A 88 17.319 -14.582 -9.810 1.00 0.00 C ATOM 1030 CG GLN A 88 18.140 -15.875 -9.809 1.00 0.00 C ATOM 1031 CD GLN A 88 17.258 -17.050 -10.234 1.00 0.00 C ATOM 1032 OE1 GLN A 88 16.124 -16.863 -10.629 1.00 0.00 O ATOM 1033 NE2 GLN A 88 17.734 -18.266 -10.169 1.00 0.00 N ATOM 0 H GLN A 88 18.864 -13.583 -7.673 1.00 0.00 H new ATOM 0 HA GLN A 88 18.817 -13.281 -10.665 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.629 -14.573 -8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.716 -14.519 -10.716 1.00 0.00 H new ATOM 0 HG2 GLN A 88 18.987 -15.779 -10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.549 -16.056 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.686 -18.424 -9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.154 -19.057 -10.450 1.00 0.00 H new ATOM 1042 N GLY A 89 18.086 -11.124 -8.855 1.00 0.00 N ATOM 1043 CA GLY A 89 17.380 -9.828 -8.616 1.00 0.00 C ATOM 1044 C GLY A 89 16.327 -9.965 -7.510 1.00 0.00 C ATOM 1045 O GLY A 89 15.818 -8.982 -7.009 1.00 0.00 O ATOM 0 H GLY A 89 19.041 -11.167 -8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.104 -9.062 -8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.902 -9.496 -9.538 1.00 0.00 H new ATOM 1049 N GLY A 90 15.987 -11.163 -7.125 1.00 0.00 N ATOM 1050 CA GLY A 90 14.965 -11.342 -6.060 1.00 0.00 C ATOM 1051 C GLY A 90 15.289 -10.424 -4.883 1.00 0.00 C ATOM 1052 O GLY A 90 16.244 -10.626 -4.162 1.00 0.00 O ATOM 0 H GLY A 90 16.374 -12.027 -7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.973 -11.114 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.946 -12.381 -5.730 1.00 0.00 H new ATOM 1056 N ASP A 91 14.497 -9.415 -4.692 1.00 0.00 N ATOM 1057 CA ASP A 91 14.742 -8.475 -3.570 1.00 0.00 C ATOM 1058 C ASP A 91 14.282 -9.118 -2.262 1.00 0.00 C ATOM 1059 O ASP A 91 13.202 -9.667 -2.174 1.00 0.00 O ATOM 1060 CB ASP A 91 13.958 -7.184 -3.805 1.00 0.00 C ATOM 1061 CG ASP A 91 14.630 -6.369 -4.910 1.00 0.00 C ATOM 1062 OD1 ASP A 91 15.270 -6.971 -5.757 1.00 0.00 O ATOM 1063 OD2 ASP A 91 14.491 -5.157 -4.892 1.00 0.00 O ATOM 0 H ASP A 91 13.684 -9.198 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 91 15.806 -8.247 -3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.930 -7.417 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.914 -6.601 -2.885 1.00 0.00 H new ATOM 1068 N TYR A 92 15.099 -9.047 -1.245 1.00 0.00 N ATOM 1069 CA TYR A 92 14.739 -9.642 0.080 1.00 0.00 C ATOM 1070 C TYR A 92 14.946 -8.574 1.158 1.00 0.00 C ATOM 1071 O TYR A 92 15.992 -7.962 1.237 1.00 0.00 O ATOM 1072 CB TYR A 92 15.647 -10.845 0.346 1.00 0.00 C ATOM 1073 CG TYR A 92 15.420 -11.887 -0.730 1.00 0.00 C ATOM 1074 CD1 TYR A 92 14.386 -12.823 -0.595 1.00 0.00 C ATOM 1075 CD2 TYR A 92 16.241 -11.917 -1.866 1.00 0.00 C ATOM 1076 CE1 TYR A 92 14.174 -13.784 -1.590 1.00 0.00 C ATOM 1077 CE2 TYR A 92 16.027 -12.878 -2.860 1.00 0.00 C ATOM 1078 CZ TYR A 92 14.994 -13.812 -2.722 1.00 0.00 C ATOM 1079 OH TYR A 92 14.785 -14.759 -3.704 1.00 0.00 O ATOM 0 H TYR A 92 16.014 -8.596 -1.275 1.00 0.00 H new ATOM 0 HA TYR A 92 13.701 -9.973 0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 92 16.691 -10.533 0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 92 15.434 -11.267 1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.751 -12.803 0.279 1.00 0.00 H new ATOM 0 HD2 TYR A 92 17.039 -11.198 -1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.376 -14.504 -1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.660 -12.899 -3.735 1.00 0.00 H new ATOM 0 HH TYR A 92 15.442 -14.637 -4.421 1.00 0.00 H new ATOM 1089 N PHE A 93 13.947 -8.325 1.975 1.00 0.00 N ATOM 1090 CA PHE A 93 14.072 -7.275 3.029 1.00 0.00 C ATOM 1091 C PHE A 93 14.310 -7.923 4.393 1.00 0.00 C ATOM 1092 O PHE A 93 13.474 -8.629 4.918 1.00 0.00 O ATOM 1093 CB PHE A 93 12.780 -6.451 3.059 1.00 0.00 C ATOM 1094 CG PHE A 93 12.570 -5.792 1.710 1.00 0.00 C ATOM 1095 CD1 PHE A 93 13.304 -4.648 1.361 1.00 0.00 C ATOM 1096 CD2 PHE A 93 11.648 -6.332 0.801 1.00 0.00 C ATOM 1097 CE1 PHE A 93 13.115 -4.051 0.109 1.00 0.00 C ATOM 1098 CE2 PHE A 93 11.464 -5.733 -0.451 1.00 0.00 C ATOM 1099 CZ PHE A 93 12.198 -4.594 -0.796 1.00 0.00 C ATOM 0 H PHE A 93 13.049 -8.808 1.954 1.00 0.00 H new ATOM 0 HA PHE A 93 14.919 -6.627 2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.932 -7.093 3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.837 -5.694 3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 93 14.014 -4.228 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.079 -7.211 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.679 -3.169 -0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.755 -6.151 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 93 12.056 -4.133 -1.762 1.00 0.00 H new ATOM 1109 N TYR A 94 15.457 -7.678 4.968 1.00 0.00 N ATOM 1110 CA TYR A 94 15.793 -8.260 6.301 1.00 0.00 C ATOM 1111 C TYR A 94 15.648 -7.174 7.368 1.00 0.00 C ATOM 1112 O TYR A 94 16.127 -6.070 7.204 1.00 0.00 O ATOM 1113 CB TYR A 94 17.256 -8.747 6.269 1.00 0.00 C ATOM 1114 CG TYR A 94 17.306 -10.213 5.930 1.00 0.00 C ATOM 1115 CD1 TYR A 94 17.301 -10.622 4.594 1.00 0.00 C ATOM 1116 CD2 TYR A 94 17.352 -11.160 6.955 1.00 0.00 C ATOM 1117 CE1 TYR A 94 17.343 -11.982 4.282 1.00 0.00 C ATOM 1118 CE2 TYR A 94 17.394 -12.522 6.643 1.00 0.00 C ATOM 1119 CZ TYR A 94 17.390 -12.934 5.306 1.00 0.00 C ATOM 1120 OH TYR A 94 17.431 -14.279 4.998 1.00 0.00 O ATOM 0 H TYR A 94 16.187 -7.090 4.565 1.00 0.00 H new ATOM 0 HA TYR A 94 15.126 -9.091 6.530 1.00 0.00 H new ATOM 0 HB2 TYR A 94 17.821 -8.176 5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.727 -8.573 7.237 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.265 -9.887 3.804 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.355 -10.841 7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.339 -12.299 3.250 1.00 0.00 H new ATOM 0 HE2 TYR A 94 17.430 -13.256 7.434 1.00 0.00 H new ATOM 0 HH TYR A 94 17.462 -14.803 5.825 1.00 0.00 H new ATOM 1130 N SER A 95 15.009 -7.486 8.467 1.00 0.00 N ATOM 1131 CA SER A 95 14.845 -6.481 9.565 1.00 0.00 C ATOM 1132 C SER A 95 15.365 -7.080 10.875 1.00 0.00 C ATOM 1133 O SER A 95 15.051 -8.199 11.229 1.00 0.00 O ATOM 1134 CB SER A 95 13.361 -6.106 9.704 1.00 0.00 C ATOM 1135 OG SER A 95 13.253 -4.747 10.099 1.00 0.00 O ATOM 0 H SER A 95 14.591 -8.398 8.653 1.00 0.00 H new ATOM 0 HA SER A 95 15.413 -5.581 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.845 -6.263 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.879 -6.750 10.440 1.00 0.00 H new ATOM 0 HG SER A 95 12.502 -4.328 9.629 1.00 0.00 H new ATOM 1141 N PHE A 96 16.139 -6.324 11.604 1.00 0.00 N ATOM 1142 CA PHE A 96 16.675 -6.799 12.909 1.00 0.00 C ATOM 1143 C PHE A 96 16.450 -5.678 13.920 1.00 0.00 C ATOM 1144 O PHE A 96 17.273 -4.800 14.088 1.00 0.00 O ATOM 1145 CB PHE A 96 18.170 -7.053 12.793 1.00 0.00 C ATOM 1146 CG PHE A 96 18.414 -8.325 12.017 1.00 0.00 C ATOM 1147 CD1 PHE A 96 18.161 -9.565 12.610 1.00 0.00 C ATOM 1148 CD2 PHE A 96 18.913 -8.264 10.715 1.00 0.00 C ATOM 1149 CE1 PHE A 96 18.404 -10.745 11.896 1.00 0.00 C ATOM 1150 CE2 PHE A 96 19.161 -9.439 10.002 1.00 0.00 C ATOM 1151 CZ PHE A 96 18.906 -10.681 10.592 1.00 0.00 C ATOM 0 H PHE A 96 16.427 -5.381 11.345 1.00 0.00 H new ATOM 0 HA PHE A 96 16.180 -7.722 13.211 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.653 -6.213 12.294 1.00 0.00 H new ATOM 0 HB3 PHE A 96 18.613 -7.131 13.786 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.778 -9.613 13.619 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.108 -7.305 10.257 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.204 -11.703 12.352 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.549 -9.388 8.996 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.097 -11.590 10.041 1.00 0.00 H new ATOM 1161 N GLY A 97 15.334 -5.699 14.575 1.00 0.00 N ATOM 1162 CA GLY A 97 14.999 -4.641 15.574 1.00 0.00 C ATOM 1163 C GLY A 97 13.558 -4.192 15.323 1.00 0.00 C ATOM 1164 O GLY A 97 12.783 -4.896 14.706 1.00 0.00 O ATOM 0 H GLY A 97 14.619 -6.418 14.463 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.107 -5.027 16.588 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.683 -3.797 15.479 1.00 0.00 H new ATOM 1168 N GLY A 98 13.195 -3.024 15.774 1.00 0.00 N ATOM 1169 CA GLY A 98 11.804 -2.534 15.535 1.00 0.00 C ATOM 1170 C GLY A 98 10.788 -3.644 15.839 1.00 0.00 C ATOM 1171 O GLY A 98 9.704 -3.667 15.292 1.00 0.00 O ATOM 0 H GLY A 98 13.797 -2.388 16.296 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.604 -1.666 16.164 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.699 -2.209 14.500 1.00 0.00 H new ATOM 1175 N CYS A 99 11.132 -4.570 16.691 1.00 0.00 N ATOM 1176 CA CYS A 99 10.190 -5.679 17.010 1.00 0.00 C ATOM 1177 C CYS A 99 8.927 -5.121 17.679 1.00 0.00 C ATOM 1178 O CYS A 99 7.825 -5.333 17.217 1.00 0.00 O ATOM 1179 CB CYS A 99 10.885 -6.675 17.947 1.00 0.00 C ATOM 1180 SG CYS A 99 12.637 -6.788 17.506 1.00 0.00 S ATOM 0 H CYS A 99 12.026 -4.606 17.181 1.00 0.00 H new ATOM 0 HA CYS A 99 9.900 -6.186 16.090 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.779 -6.352 18.983 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.414 -7.655 17.869 1.00 0.00 H new ATOM 0 HG CYS A 99 13.231 -7.630 18.299 1.00 0.00 H new ATOM 1186 N HIS A 100 9.076 -4.416 18.765 1.00 0.00 N ATOM 1187 CA HIS A 100 7.882 -3.857 19.456 1.00 0.00 C ATOM 1188 C HIS A 100 7.066 -3.009 18.476 1.00 0.00 C ATOM 1189 O HIS A 100 5.852 -3.042 18.481 1.00 0.00 O ATOM 1190 CB HIS A 100 8.340 -3.000 20.645 1.00 0.00 C ATOM 1191 CG HIS A 100 8.663 -3.894 21.816 1.00 0.00 C ATOM 1192 ND1 HIS A 100 9.817 -4.660 21.864 1.00 0.00 N ATOM 1193 CD2 HIS A 100 7.984 -4.167 22.980 1.00 0.00 C ATOM 1194 CE1 HIS A 100 9.799 -5.351 23.019 1.00 0.00 C ATOM 1195 NE2 HIS A 100 8.704 -5.087 23.737 1.00 0.00 N ATOM 0 H HIS A 100 9.972 -4.203 19.203 1.00 0.00 H new ATOM 0 HA HIS A 100 7.255 -4.671 19.820 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.217 -2.415 20.368 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.558 -2.292 20.919 1.00 0.00 H new ATOM 0 HD1 HIS A 100 10.548 -4.694 21.153 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.036 -3.734 23.264 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.575 -6.035 23.328 1.00 0.00 H new ATOM 1203 N ARG A 101 7.713 -2.250 17.635 1.00 0.00 N ATOM 1204 CA ARG A 101 6.950 -1.414 16.667 1.00 0.00 C ATOM 1205 C ARG A 101 6.242 -2.322 15.655 1.00 0.00 C ATOM 1206 O ARG A 101 5.173 -2.007 15.172 1.00 0.00 O ATOM 1207 CB ARG A 101 7.898 -0.448 15.949 1.00 0.00 C ATOM 1208 CG ARG A 101 8.323 0.656 16.927 1.00 0.00 C ATOM 1209 CD ARG A 101 9.157 1.719 16.201 1.00 0.00 C ATOM 1210 NE ARG A 101 10.572 1.257 16.102 1.00 0.00 N ATOM 1211 CZ ARG A 101 11.538 2.126 15.963 1.00 0.00 C ATOM 1212 NH1 ARG A 101 11.264 3.400 15.886 1.00 0.00 N ATOM 1213 NH2 ARG A 101 12.776 1.721 15.898 1.00 0.00 N ATOM 0 H ARG A 101 8.728 -2.173 17.576 1.00 0.00 H new ATOM 0 HA ARG A 101 6.202 -0.829 17.202 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.774 -0.983 15.582 1.00 0.00 H new ATOM 0 HB3 ARG A 101 7.404 -0.012 15.081 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.441 1.117 17.371 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.902 0.225 17.743 1.00 0.00 H new ATOM 0 HD2 ARG A 101 8.751 1.898 15.205 1.00 0.00 H new ATOM 0 HD3 ARG A 101 9.109 2.665 16.740 1.00 0.00 H new ATOM 0 HE ARG A 101 10.786 0.261 16.143 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.296 3.717 15.934 1.00 0.00 H new ATOM 0 HH12 ARG A 101 12.018 4.078 15.778 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.991 0.726 15.956 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.530 2.400 15.789 1.00 0.00 H new ATOM 1227 N TYR A 102 6.814 -3.455 15.341 1.00 0.00 N ATOM 1228 CA TYR A 102 6.150 -4.377 14.377 1.00 0.00 C ATOM 1229 C TYR A 102 4.851 -4.890 15.011 1.00 0.00 C ATOM 1230 O TYR A 102 3.822 -4.961 14.372 1.00 0.00 O ATOM 1231 CB TYR A 102 7.094 -5.547 14.060 1.00 0.00 C ATOM 1232 CG TYR A 102 6.343 -6.654 13.358 1.00 0.00 C ATOM 1233 CD1 TYR A 102 5.651 -7.599 14.117 1.00 0.00 C ATOM 1234 CD2 TYR A 102 6.344 -6.742 11.959 1.00 0.00 C ATOM 1235 CE1 TYR A 102 4.956 -8.634 13.486 1.00 0.00 C ATOM 1236 CE2 TYR A 102 5.649 -7.780 11.325 1.00 0.00 C ATOM 1237 CZ TYR A 102 4.954 -8.726 12.089 1.00 0.00 C ATOM 1238 OH TYR A 102 4.269 -9.749 11.466 1.00 0.00 O ATOM 0 H TYR A 102 7.708 -3.779 15.709 1.00 0.00 H new ATOM 0 HA TYR A 102 5.918 -3.857 13.447 1.00 0.00 H new ATOM 0 HB2 TYR A 102 7.915 -5.201 13.432 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.536 -5.926 14.981 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.653 -7.530 15.195 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.879 -6.011 11.371 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.420 -9.363 14.076 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.649 -7.851 10.247 1.00 0.00 H new ATOM 0 HH TYR A 102 4.369 -9.666 10.495 1.00 0.00 H new ATOM 1248 N ALA A 103 4.894 -5.238 16.268 1.00 0.00 N ATOM 1249 CA ALA A 103 3.667 -5.734 16.958 1.00 0.00 C ATOM 1250 C ALA A 103 2.574 -4.664 16.898 1.00 0.00 C ATOM 1251 O ALA A 103 1.415 -4.961 16.698 1.00 0.00 O ATOM 1252 CB ALA A 103 3.994 -6.037 18.421 1.00 0.00 C ATOM 0 H ALA A 103 5.730 -5.200 16.851 1.00 0.00 H new ATOM 0 HA ALA A 103 3.317 -6.640 16.463 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.099 -6.399 18.926 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.772 -6.799 18.470 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.345 -5.129 18.911 1.00 0.00 H new ATOM 1258 N ALA A 104 2.932 -3.421 17.075 1.00 0.00 N ATOM 1259 CA ALA A 104 1.907 -2.339 17.032 1.00 0.00 C ATOM 1260 C ALA A 104 1.320 -2.244 15.619 1.00 0.00 C ATOM 1261 O ALA A 104 0.124 -2.127 15.442 1.00 0.00 O ATOM 1262 CB ALA A 104 2.555 -1.005 17.414 1.00 0.00 C ATOM 0 H ALA A 104 3.888 -3.108 17.247 1.00 0.00 H new ATOM 0 HA ALA A 104 1.108 -2.567 17.738 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.806 -0.214 17.382 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.966 -1.075 18.421 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.355 -0.775 16.711 1.00 0.00 H new ATOM 1268 N TYR A 105 2.150 -2.297 14.612 1.00 0.00 N ATOM 1269 CA TYR A 105 1.641 -2.213 13.217 1.00 0.00 C ATOM 1270 C TYR A 105 0.876 -3.501 12.880 1.00 0.00 C ATOM 1271 O TYR A 105 -0.169 -3.470 12.261 1.00 0.00 O ATOM 1272 CB TYR A 105 2.842 -2.046 12.265 1.00 0.00 C ATOM 1273 CG TYR A 105 3.115 -0.580 12.002 1.00 0.00 C ATOM 1274 CD1 TYR A 105 2.417 0.089 10.991 1.00 0.00 C ATOM 1275 CD2 TYR A 105 4.067 0.105 12.766 1.00 0.00 C ATOM 1276 CE1 TYR A 105 2.671 1.444 10.742 1.00 0.00 C ATOM 1277 CE2 TYR A 105 4.321 1.460 12.519 1.00 0.00 C ATOM 1278 CZ TYR A 105 3.623 2.129 11.507 1.00 0.00 C ATOM 1279 OH TYR A 105 3.873 3.464 11.262 1.00 0.00 O ATOM 0 H TYR A 105 3.162 -2.395 14.698 1.00 0.00 H new ATOM 0 HA TYR A 105 0.968 -1.363 13.108 1.00 0.00 H new ATOM 0 HB2 TYR A 105 3.725 -2.513 12.700 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.641 -2.558 11.324 1.00 0.00 H new ATOM 0 HD1 TYR A 105 1.682 -0.439 10.402 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.606 -0.412 13.546 1.00 0.00 H new ATOM 0 HE1 TYR A 105 2.133 1.960 9.961 1.00 0.00 H new ATOM 0 HE2 TYR A 105 5.055 1.988 13.109 1.00 0.00 H new ATOM 0 HH TYR A 105 4.560 3.787 11.882 1.00 0.00 H new ATOM 1289 N GLN A 106 1.389 -4.630 13.285 1.00 0.00 N ATOM 1290 CA GLN A 106 0.705 -5.910 12.996 1.00 0.00 C ATOM 1291 C GLN A 106 -0.593 -5.969 13.803 1.00 0.00 C ATOM 1292 O GLN A 106 -1.613 -6.433 13.333 1.00 0.00 O ATOM 1293 CB GLN A 106 1.641 -7.056 13.398 1.00 0.00 C ATOM 1294 CG GLN A 106 0.865 -8.378 13.475 1.00 0.00 C ATOM 1295 CD GLN A 106 0.227 -8.523 14.861 1.00 0.00 C ATOM 1296 OE1 GLN A 106 0.324 -7.634 15.683 1.00 0.00 O ATOM 1297 NE2 GLN A 106 -0.419 -9.612 15.163 1.00 0.00 N ATOM 0 H GLN A 106 2.261 -4.715 13.808 1.00 0.00 H new ATOM 0 HA GLN A 106 0.464 -5.995 11.936 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.451 -7.144 12.674 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.099 -6.839 14.363 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.094 -8.404 12.705 1.00 0.00 H new ATOM 0 HG3 GLN A 106 1.535 -9.216 13.283 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.504 -10.362 14.477 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.841 -9.716 16.086 1.00 0.00 H new ATOM 1306 N GLN A 107 -0.554 -5.497 15.014 1.00 0.00 N ATOM 1307 CA GLN A 107 -1.776 -5.513 15.867 1.00 0.00 C ATOM 1308 C GLN A 107 -2.856 -4.640 15.223 1.00 0.00 C ATOM 1309 O GLN A 107 -4.019 -4.992 15.197 1.00 0.00 O ATOM 1310 CB GLN A 107 -1.429 -4.964 17.256 1.00 0.00 C ATOM 1311 CG GLN A 107 -2.663 -5.025 18.167 1.00 0.00 C ATOM 1312 CD GLN A 107 -3.582 -3.834 17.879 1.00 0.00 C ATOM 1313 OE1 GLN A 107 -3.143 -2.701 17.873 1.00 0.00 O ATOM 1314 NE2 GLN A 107 -4.847 -4.044 17.640 1.00 0.00 N ATOM 0 H GLN A 107 0.275 -5.098 15.454 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.146 -6.534 15.962 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.615 -5.543 17.692 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.079 -3.935 17.173 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.201 -5.959 18.003 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.355 -5.014 19.213 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.216 -4.995 17.645 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.467 -3.257 17.448 1.00 0.00 H new ATOM 1323 N LEU A 108 -2.481 -3.503 14.704 1.00 0.00 N ATOM 1324 CA LEU A 108 -3.484 -2.606 14.063 1.00 0.00 C ATOM 1325 C LEU A 108 -3.851 -3.150 12.681 1.00 0.00 C ATOM 1326 O LEU A 108 -4.501 -2.490 11.894 1.00 0.00 O ATOM 1327 CB LEU A 108 -2.889 -1.203 13.928 1.00 0.00 C ATOM 1328 CG LEU A 108 -2.699 -0.589 15.326 1.00 0.00 C ATOM 1329 CD1 LEU A 108 -1.910 0.722 15.206 1.00 0.00 C ATOM 1330 CD2 LEU A 108 -4.069 -0.322 15.985 1.00 0.00 C ATOM 0 H LEU A 108 -1.522 -3.156 14.696 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.383 -2.562 14.677 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.933 -1.251 13.407 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.547 -0.573 13.329 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.145 -1.290 15.950 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.775 1.157 16.196 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.935 0.521 14.762 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.459 1.420 14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.919 0.112 16.973 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.641 0.370 15.367 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.616 -1.260 16.080 1.00 0.00 H new ATOM 1342 N GLN A 109 -3.449 -4.354 12.386 1.00 0.00 N ATOM 1343 CA GLN A 109 -3.779 -4.956 11.063 1.00 0.00 C ATOM 1344 C GLN A 109 -3.506 -3.951 9.938 1.00 0.00 C ATOM 1345 O GLN A 109 -4.312 -3.771 9.048 1.00 0.00 O ATOM 1346 CB GLN A 109 -5.259 -5.357 11.046 1.00 0.00 C ATOM 1347 CG GLN A 109 -5.513 -6.358 9.915 1.00 0.00 C ATOM 1348 CD GLN A 109 -6.959 -6.851 9.990 1.00 0.00 C ATOM 1349 OE1 GLN A 109 -7.681 -6.558 11.036 1.00 0.00 O flip ATOM 1350 NE2 GLN A 109 -7.437 -7.509 9.087 1.00 0.00 N flip ATOM 0 H GLN A 109 -2.903 -4.951 13.007 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.155 -5.836 10.906 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.537 -5.798 12.003 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.883 -4.474 10.909 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.327 -5.888 8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.825 -7.200 9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.873 -7.738 8.269 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.403 -7.832 9.147 1.00 0.00 H new ATOM 1359 N ARG A 110 -2.372 -3.304 9.959 1.00 0.00 N ATOM 1360 CA ARG A 110 -2.054 -2.331 8.880 1.00 0.00 C ATOM 1361 C ARG A 110 -1.564 -3.104 7.659 1.00 0.00 C ATOM 1362 O ARG A 110 -1.155 -4.242 7.757 1.00 0.00 O ATOM 1363 CB ARG A 110 -0.960 -1.371 9.360 1.00 0.00 C ATOM 1364 CG ARG A 110 -1.496 -0.480 10.498 1.00 0.00 C ATOM 1365 CD ARG A 110 -2.237 0.735 9.922 1.00 0.00 C ATOM 1366 NE ARG A 110 -1.331 1.489 9.010 1.00 0.00 N ATOM 1367 CZ ARG A 110 -0.446 2.314 9.501 1.00 0.00 C ATOM 1368 NH1 ARG A 110 -0.352 2.476 10.793 1.00 0.00 N ATOM 1369 NH2 ARG A 110 0.344 2.975 8.701 1.00 0.00 N ATOM 0 H ARG A 110 -1.654 -3.408 10.676 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.942 -1.753 8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.096 -1.937 9.708 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.621 -0.750 8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.168 -1.056 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.671 -0.146 11.127 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.125 0.409 9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.577 1.383 10.730 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.402 1.360 8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.970 1.958 11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.339 3.120 11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.271 2.848 7.692 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.035 3.619 9.085 1.00 0.00 H new ATOM 1383 N GLU A 111 -1.620 -2.501 6.508 1.00 0.00 N ATOM 1384 CA GLU A 111 -1.170 -3.207 5.273 1.00 0.00 C ATOM 1385 C GLU A 111 0.358 -3.121 5.140 1.00 0.00 C ATOM 1386 O GLU A 111 1.007 -4.090 4.792 1.00 0.00 O ATOM 1387 CB GLU A 111 -1.842 -2.567 4.047 1.00 0.00 C ATOM 1388 CG GLU A 111 -3.243 -3.160 3.858 1.00 0.00 C ATOM 1389 CD GLU A 111 -3.125 -4.577 3.291 1.00 0.00 C ATOM 1390 OE1 GLU A 111 -2.247 -4.795 2.473 1.00 0.00 O ATOM 1391 OE2 GLU A 111 -3.915 -5.419 3.686 1.00 0.00 O ATOM 0 H GLU A 111 -1.958 -1.549 6.365 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.454 -4.257 5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.908 -1.487 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.239 -2.743 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.772 -3.181 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.826 -2.534 3.183 1.00 0.00 H new ATOM 1398 N THR A 112 0.941 -1.969 5.392 1.00 0.00 N ATOM 1399 CA THR A 112 2.430 -1.827 5.254 1.00 0.00 C ATOM 1400 C THR A 112 3.008 -1.095 6.462 1.00 0.00 C ATOM 1401 O THR A 112 2.292 -0.666 7.346 1.00 0.00 O ATOM 1402 CB THR A 112 2.737 -1.005 3.999 1.00 0.00 C ATOM 1403 OG1 THR A 112 2.013 0.217 4.058 1.00 0.00 O ATOM 1404 CG2 THR A 112 2.327 -1.777 2.734 1.00 0.00 C ATOM 0 H THR A 112 0.452 -1.124 5.686 1.00 0.00 H new ATOM 0 HA THR A 112 2.874 -2.820 5.185 1.00 0.00 H new ATOM 0 HB THR A 112 3.808 -0.808 3.957 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.941 0.598 3.158 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.553 -1.177 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.879 -2.715 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.258 -1.987 2.766 1.00 0.00 H new ATOM 1412 N ILE A 113 4.311 -0.941 6.496 1.00 0.00 N ATOM 1413 CA ILE A 113 4.965 -0.221 7.642 1.00 0.00 C ATOM 1414 C ILE A 113 6.100 0.678 7.114 1.00 0.00 C ATOM 1415 O ILE A 113 6.823 0.271 6.225 1.00 0.00 O ATOM 1416 CB ILE A 113 5.567 -1.242 8.617 1.00 0.00 C ATOM 1417 CG1 ILE A 113 6.007 -0.515 9.891 1.00 0.00 C ATOM 1418 CG2 ILE A 113 6.789 -1.924 7.982 1.00 0.00 C ATOM 1419 CD1 ILE A 113 6.411 -1.537 10.956 1.00 0.00 C ATOM 0 H ILE A 113 4.952 -1.282 5.780 1.00 0.00 H new ATOM 0 HA ILE A 113 4.215 0.385 8.150 1.00 0.00 H new ATOM 0 HB ILE A 113 4.818 -1.998 8.852 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.845 0.147 9.672 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.195 0.110 10.263 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.208 -2.646 8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.486 -2.438 7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.541 -1.173 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.723 -1.016 11.861 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.561 -2.181 11.183 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.236 -2.144 10.584 1.00 0.00 H new ATOM 1431 N PRO A 114 6.309 1.871 7.654 1.00 0.00 N ATOM 1432 CA PRO A 114 7.431 2.733 7.186 1.00 0.00 C ATOM 1433 C PRO A 114 8.780 2.120 7.581 1.00 0.00 C ATOM 1434 O PRO A 114 8.967 1.668 8.693 1.00 0.00 O ATOM 1435 CB PRO A 114 7.213 4.090 7.893 1.00 0.00 C ATOM 1436 CG PRO A 114 5.840 4.021 8.495 1.00 0.00 C ATOM 1437 CD PRO A 114 5.544 2.540 8.732 1.00 0.00 C ATOM 0 HA PRO A 114 7.446 2.839 6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.969 4.257 8.661 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.289 4.916 7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 114 5.798 4.580 9.430 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.101 4.462 7.827 1.00 0.00 H new ATOM 0 HD2 PRO A 114 5.871 2.216 9.720 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.478 2.325 8.663 1.00 0.00 H new ATOM 1445 N ALA A 115 9.714 2.099 6.680 1.00 0.00 N ATOM 1446 CA ALA A 115 11.048 1.514 6.994 1.00 0.00 C ATOM 1447 C ALA A 115 12.104 2.132 6.081 1.00 0.00 C ATOM 1448 O ALA A 115 11.920 2.240 4.884 1.00 0.00 O ATOM 1449 CB ALA A 115 11.010 0.001 6.768 1.00 0.00 C ATOM 0 H ALA A 115 9.614 2.463 5.732 1.00 0.00 H new ATOM 0 HA ALA A 115 11.296 1.722 8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.986 -0.426 6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 115 10.257 -0.445 7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.760 -0.205 5.727 1.00 0.00 H new ATOM 1455 N LYS A 116 13.211 2.537 6.635 1.00 0.00 N ATOM 1456 CA LYS A 116 14.280 3.144 5.802 1.00 0.00 C ATOM 1457 C LYS A 116 15.022 2.035 5.056 1.00 0.00 C ATOM 1458 O LYS A 116 15.627 1.169 5.656 1.00 0.00 O ATOM 1459 CB LYS A 116 15.261 3.906 6.707 1.00 0.00 C ATOM 1460 CG LYS A 116 15.956 5.003 5.904 1.00 0.00 C ATOM 1461 CD LYS A 116 16.910 5.779 6.814 1.00 0.00 C ATOM 1462 CE LYS A 116 17.853 6.629 5.959 1.00 0.00 C ATOM 1463 NZ LYS A 116 18.848 5.745 5.290 1.00 0.00 N ATOM 0 H LYS A 116 13.421 2.473 7.631 1.00 0.00 H new ATOM 0 HA LYS A 116 13.842 3.837 5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.728 4.343 7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 116 16.001 3.219 7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 116 16.507 4.565 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.216 5.679 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 116 16.344 6.416 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 116 17.485 5.088 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.284 7.184 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 116 18.364 7.363 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 19.686 6.302 5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 19.129 4.984 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 18.425 5.331 4.435 1.00 0.00 H new ATOM 1477 N LEU A 117 14.992 2.059 3.755 1.00 0.00 N ATOM 1478 CA LEU A 117 15.712 1.004 2.985 1.00 0.00 C ATOM 1479 C LEU A 117 17.199 1.353 2.953 1.00 0.00 C ATOM 1480 O LEU A 117 17.575 2.495 2.774 1.00 0.00 O ATOM 1481 CB LEU A 117 15.171 0.921 1.554 1.00 0.00 C ATOM 1482 CG LEU A 117 13.645 0.721 1.566 1.00 0.00 C ATOM 1483 CD1 LEU A 117 13.148 0.518 0.127 1.00 0.00 C ATOM 1484 CD2 LEU A 117 13.273 -0.509 2.409 1.00 0.00 C ATOM 0 H LEU A 117 14.505 2.757 3.193 1.00 0.00 H new ATOM 0 HA LEU A 117 15.561 0.037 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.420 1.833 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.648 0.095 1.026 1.00 0.00 H new ATOM 0 HG LEU A 117 13.177 1.604 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.067 0.376 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.396 1.395 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.628 -0.361 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.191 -0.637 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.744 -1.396 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.620 -0.367 3.432 1.00 0.00 H new ATOM 1496 N VAL A 118 18.049 0.377 3.146 1.00 0.00 N ATOM 1497 CA VAL A 118 19.520 0.635 3.153 1.00 0.00 C ATOM 1498 C VAL A 118 20.234 -0.461 2.357 1.00 0.00 C ATOM 1499 O VAL A 118 20.400 -1.570 2.825 1.00 0.00 O ATOM 1500 CB VAL A 118 20.006 0.619 4.607 1.00 0.00 C ATOM 1501 CG1 VAL A 118 21.532 0.685 4.651 1.00 0.00 C ATOM 1502 CG2 VAL A 118 19.425 1.822 5.353 1.00 0.00 C ATOM 0 H VAL A 118 17.784 -0.596 3.300 1.00 0.00 H new ATOM 0 HA VAL A 118 19.737 1.601 2.697 1.00 0.00 H new ATOM 0 HB VAL A 118 19.674 -0.304 5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.867 0.673 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 118 21.949 -0.174 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.870 1.603 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.771 1.811 6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.754 2.743 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.336 1.771 5.334 1.00 0.00 H new ATOM 1512 N GLN A 119 20.659 -0.160 1.156 1.00 0.00 N ATOM 1513 CA GLN A 119 21.363 -1.187 0.333 1.00 0.00 C ATOM 1514 C GLN A 119 22.419 -1.892 1.188 1.00 0.00 C ATOM 1515 O GLN A 119 23.218 -1.259 1.848 1.00 0.00 O ATOM 1516 CB GLN A 119 22.054 -0.514 -0.859 1.00 0.00 C ATOM 1517 CG GLN A 119 21.003 0.041 -1.820 1.00 0.00 C ATOM 1518 CD GLN A 119 20.359 1.285 -1.200 1.00 0.00 C ATOM 1519 OE1 GLN A 119 21.031 2.078 -0.571 1.00 0.00 O ATOM 1520 NE2 GLN A 119 19.080 1.492 -1.349 1.00 0.00 N ATOM 0 H GLN A 119 20.549 0.751 0.711 1.00 0.00 H new ATOM 0 HA GLN A 119 20.635 -1.913 -0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 119 22.701 0.290 -0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 119 22.690 -1.233 -1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 119 21.464 0.293 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 119 20.243 -0.714 -2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 119 18.514 0.828 -1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 119 18.646 2.318 -0.938 1.00 0.00 H new ATOM 1529 N SER A 120 22.426 -3.200 1.179 1.00 0.00 N ATOM 1530 CA SER A 120 23.428 -3.965 1.988 1.00 0.00 C ATOM 1531 C SER A 120 23.990 -5.109 1.140 1.00 0.00 C ATOM 1532 O SER A 120 23.644 -5.261 -0.015 1.00 0.00 O ATOM 1533 CB SER A 120 22.744 -4.528 3.238 1.00 0.00 C ATOM 1534 OG SER A 120 22.644 -3.505 4.218 1.00 0.00 O ATOM 0 H SER A 120 21.777 -3.777 0.643 1.00 0.00 H new ATOM 0 HA SER A 120 24.243 -3.307 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 120 21.753 -4.904 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.314 -5.370 3.631 1.00 0.00 H new ATOM 0 HG SER A 120 22.002 -2.827 3.919 1.00 0.00 H new ATOM 1540 N THR A 121 24.865 -5.908 1.703 1.00 0.00 N ATOM 1541 CA THR A 121 25.472 -7.043 0.938 1.00 0.00 C ATOM 1542 C THR A 121 25.344 -8.335 1.749 1.00 0.00 C ATOM 1543 O THR A 121 25.077 -8.316 2.935 1.00 0.00 O ATOM 1544 CB THR A 121 26.954 -6.743 0.694 1.00 0.00 C ATOM 1545 OG1 THR A 121 27.534 -6.233 1.886 1.00 0.00 O ATOM 1546 CG2 THR A 121 27.091 -5.709 -0.425 1.00 0.00 C ATOM 0 H THR A 121 25.187 -5.821 2.667 1.00 0.00 H new ATOM 0 HA THR A 121 24.955 -7.162 -0.014 1.00 0.00 H new ATOM 0 HB THR A 121 27.467 -7.659 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 121 28.483 -6.042 1.732 1.00 0.00 H new ATOM 0 HG21 THR A 121 28.146 -5.497 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 121 26.646 -6.101 -1.339 1.00 0.00 H new ATOM 0 HG23 THR A 121 26.579 -4.791 -0.137 1.00 0.00 H new ATOM 1554 N LEU A 122 25.524 -9.461 1.120 1.00 0.00 N ATOM 1555 CA LEU A 122 25.401 -10.745 1.869 1.00 0.00 C ATOM 1556 C LEU A 122 26.385 -10.750 3.050 1.00 0.00 C ATOM 1557 O LEU A 122 26.087 -11.272 4.106 1.00 0.00 O ATOM 1558 CB LEU A 122 25.690 -11.931 0.935 1.00 0.00 C ATOM 1559 CG LEU A 122 25.290 -13.255 1.613 1.00 0.00 C ATOM 1560 CD1 LEU A 122 23.758 -13.344 1.775 1.00 0.00 C ATOM 1561 CD2 LEU A 122 25.774 -14.424 0.750 1.00 0.00 C ATOM 0 H LEU A 122 25.749 -9.550 0.129 1.00 0.00 H new ATOM 0 HA LEU A 122 24.384 -10.841 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 122 25.139 -11.811 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 122 26.749 -11.951 0.679 1.00 0.00 H new ATOM 0 HG LEU A 122 25.749 -13.297 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.497 -14.287 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.408 -12.514 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.285 -13.294 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 122 25.495 -15.365 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 122 25.314 -14.363 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 122 26.858 -14.377 0.648 1.00 0.00 H new ATOM 1573 N SER A 123 27.549 -10.169 2.891 1.00 0.00 N ATOM 1574 CA SER A 123 28.526 -10.143 4.018 1.00 0.00 C ATOM 1575 C SER A 123 27.853 -9.544 5.255 1.00 0.00 C ATOM 1576 O SER A 123 27.967 -10.061 6.349 1.00 0.00 O ATOM 1577 CB SER A 123 29.733 -9.286 3.628 1.00 0.00 C ATOM 1578 OG SER A 123 30.516 -9.981 2.669 1.00 0.00 O ATOM 0 H SER A 123 27.862 -9.714 2.033 1.00 0.00 H new ATOM 0 HA SER A 123 28.859 -11.158 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 123 29.399 -8.333 3.219 1.00 0.00 H new ATOM 0 HB3 SER A 123 30.333 -9.061 4.510 1.00 0.00 H new ATOM 0 HG SER A 123 31.288 -9.432 2.417 1.00 0.00 H new ATOM 1584 N ASP A 124 27.139 -8.464 5.094 1.00 0.00 N ATOM 1585 CA ASP A 124 26.452 -7.852 6.255 1.00 0.00 C ATOM 1586 C ASP A 124 25.561 -8.919 6.905 1.00 0.00 C ATOM 1587 O ASP A 124 25.512 -9.063 8.117 1.00 0.00 O ATOM 1588 CB ASP A 124 25.598 -6.678 5.754 1.00 0.00 C ATOM 1589 CG ASP A 124 26.466 -5.423 5.617 1.00 0.00 C ATOM 1590 OD1 ASP A 124 26.909 -4.919 6.636 1.00 0.00 O ATOM 1591 OD2 ASP A 124 26.673 -4.989 4.496 1.00 0.00 O ATOM 0 H ASP A 124 27.004 -7.982 4.205 1.00 0.00 H new ATOM 0 HA ASP A 124 27.170 -7.485 6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 124 25.150 -6.927 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 124 24.779 -6.490 6.448 1.00 0.00 H new ATOM 1596 N LEU A 125 24.856 -9.676 6.106 1.00 0.00 N ATOM 1597 CA LEU A 125 23.974 -10.727 6.683 1.00 0.00 C ATOM 1598 C LEU A 125 24.832 -11.767 7.427 1.00 0.00 C ATOM 1599 O LEU A 125 24.409 -12.325 8.416 1.00 0.00 O ATOM 1600 CB LEU A 125 23.138 -11.393 5.558 1.00 0.00 C ATOM 1601 CG LEU A 125 21.695 -11.655 6.033 1.00 0.00 C ATOM 1602 CD1 LEU A 125 20.943 -10.323 6.260 1.00 0.00 C ATOM 1603 CD2 LEU A 125 20.968 -12.487 4.973 1.00 0.00 C ATOM 0 H LEU A 125 24.854 -9.612 5.088 1.00 0.00 H new ATOM 0 HA LEU A 125 23.283 -10.276 7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 125 23.125 -10.750 4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 125 23.604 -12.332 5.259 1.00 0.00 H new ATOM 0 HG LEU A 125 21.723 -12.196 6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 125 19.927 -10.531 6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 125 21.462 -9.737 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 125 20.909 -9.761 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 125 19.946 -12.678 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 125 20.952 -11.941 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 125 21.488 -13.435 4.835 1.00 0.00 H new ATOM 1615 N ARG A 126 26.036 -12.026 6.976 1.00 0.00 N ATOM 1616 CA ARG A 126 26.895 -13.020 7.690 1.00 0.00 C ATOM 1617 C ARG A 126 27.226 -12.486 9.089 1.00 0.00 C ATOM 1618 O ARG A 126 27.453 -13.245 10.010 1.00 0.00 O ATOM 1619 CB ARG A 126 28.184 -13.261 6.878 1.00 0.00 C ATOM 1620 CG ARG A 126 29.279 -13.908 7.756 1.00 0.00 C ATOM 1621 CD ARG A 126 30.220 -14.752 6.889 1.00 0.00 C ATOM 1622 NE ARG A 126 30.918 -13.871 5.911 1.00 0.00 N ATOM 1623 CZ ARG A 126 31.698 -14.393 5.004 1.00 0.00 C ATOM 1624 NH1 ARG A 126 31.866 -15.686 4.954 1.00 0.00 N ATOM 1625 NH2 ARG A 126 32.310 -13.622 4.147 1.00 0.00 N ATOM 0 H ARG A 126 26.457 -11.596 6.152 1.00 0.00 H new ATOM 0 HA ARG A 126 26.367 -13.968 7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 126 27.967 -13.907 6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 126 28.547 -12.315 6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 126 29.845 -13.134 8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 126 28.820 -14.533 8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 126 30.948 -15.265 7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 126 29.655 -15.521 6.363 1.00 0.00 H new ATOM 0 HE ARG A 126 30.786 -12.860 5.950 1.00 0.00 H new ATOM 0 HH11 ARG A 126 31.388 -16.289 5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 126 32.476 -16.094 4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 126 32.179 -12.611 4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 126 32.920 -14.030 3.438 1.00 0.00 H new ATOM 1639 N VAL A 127 27.235 -11.192 9.266 1.00 0.00 N ATOM 1640 CA VAL A 127 27.528 -10.640 10.612 1.00 0.00 C ATOM 1641 C VAL A 127 26.372 -11.007 11.541 1.00 0.00 C ATOM 1642 O VAL A 127 26.555 -11.238 12.720 1.00 0.00 O ATOM 1643 CB VAL A 127 27.657 -9.118 10.529 1.00 0.00 C ATOM 1644 CG1 VAL A 127 27.973 -8.559 11.917 1.00 0.00 C ATOM 1645 CG2 VAL A 127 28.789 -8.754 9.568 1.00 0.00 C ATOM 0 H VAL A 127 27.053 -10.500 8.539 1.00 0.00 H new ATOM 0 HA VAL A 127 28.463 -11.052 10.992 1.00 0.00 H new ATOM 0 HB VAL A 127 26.721 -8.693 10.167 1.00 0.00 H new ATOM 0 HG11 VAL A 127 28.065 -7.474 11.860 1.00 0.00 H new ATOM 0 HG12 VAL A 127 27.169 -8.819 12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 127 28.910 -8.985 12.276 1.00 0.00 H new ATOM 0 HG21 VAL A 127 28.881 -7.670 9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 127 29.725 -9.178 9.931 1.00 0.00 H new ATOM 0 HG23 VAL A 127 28.569 -9.154 8.578 1.00 0.00 H new ATOM 1655 N TYR A 128 25.172 -11.061 11.013 1.00 0.00 N ATOM 1656 CA TYR A 128 23.990 -11.412 11.866 1.00 0.00 C ATOM 1657 C TYR A 128 23.740 -12.925 11.857 1.00 0.00 C ATOM 1658 O TYR A 128 23.506 -13.529 12.885 1.00 0.00 O ATOM 1659 CB TYR A 128 22.736 -10.725 11.324 1.00 0.00 C ATOM 1660 CG TYR A 128 22.874 -9.227 11.414 1.00 0.00 C ATOM 1661 CD1 TYR A 128 22.572 -8.566 12.610 1.00 0.00 C ATOM 1662 CD2 TYR A 128 23.288 -8.497 10.296 1.00 0.00 C ATOM 1663 CE1 TYR A 128 22.689 -7.173 12.688 1.00 0.00 C ATOM 1664 CE2 TYR A 128 23.403 -7.106 10.372 1.00 0.00 C ATOM 1665 CZ TYR A 128 23.104 -6.443 11.569 1.00 0.00 C ATOM 1666 OH TYR A 128 23.217 -5.069 11.644 1.00 0.00 O ATOM 0 H TYR A 128 24.960 -10.878 10.032 1.00 0.00 H new ATOM 0 HA TYR A 128 24.203 -11.080 12.882 1.00 0.00 H new ATOM 0 HB2 TYR A 128 22.572 -11.019 10.287 1.00 0.00 H new ATOM 0 HB3 TYR A 128 21.863 -11.050 11.889 1.00 0.00 H new ATOM 0 HD1 TYR A 128 22.249 -9.130 13.472 1.00 0.00 H new ATOM 0 HD2 TYR A 128 23.519 -9.008 9.373 1.00 0.00 H new ATOM 0 HE1 TYR A 128 22.459 -6.662 13.611 1.00 0.00 H new ATOM 0 HE2 TYR A 128 23.722 -6.543 9.508 1.00 0.00 H new ATOM 0 HH TYR A 128 23.518 -4.718 10.780 1.00 0.00 H new ATOM 1676 N LEU A 129 23.746 -13.530 10.695 1.00 0.00 N ATOM 1677 CA LEU A 129 23.464 -14.992 10.581 1.00 0.00 C ATOM 1678 C LEU A 129 24.663 -15.721 9.981 1.00 0.00 C ATOM 1679 O LEU A 129 24.512 -16.530 9.092 1.00 0.00 O ATOM 1680 CB LEU A 129 22.290 -15.182 9.629 1.00 0.00 C ATOM 1681 CG LEU A 129 21.041 -14.442 10.127 1.00 0.00 C ATOM 1682 CD1 LEU A 129 19.867 -14.786 9.200 1.00 0.00 C ATOM 1683 CD2 LEU A 129 20.705 -14.855 11.569 1.00 0.00 C ATOM 0 H LEU A 129 23.937 -13.064 9.808 1.00 0.00 H new ATOM 0 HA LEU A 129 23.249 -15.389 11.573 1.00 0.00 H new ATOM 0 HB2 LEU A 129 22.560 -14.817 8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 129 22.069 -16.245 9.528 1.00 0.00 H new ATOM 0 HG LEU A 129 21.228 -13.368 10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 129 18.971 -14.268 9.540 1.00 0.00 H new ATOM 0 HD12 LEU A 129 20.103 -14.473 8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 129 19.693 -15.862 9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 129 19.817 -14.319 11.903 1.00 0.00 H new ATOM 0 HD22 LEU A 129 20.517 -15.928 11.606 1.00 0.00 H new ATOM 0 HD23 LEU A 129 21.543 -14.611 12.222 1.00 0.00 H new ATOM 1695 N GLY A 130 25.843 -15.448 10.442 1.00 0.00 N ATOM 1696 CA GLY A 130 27.036 -16.139 9.877 1.00 0.00 C ATOM 1697 C GLY A 130 26.975 -17.644 10.183 1.00 0.00 C ATOM 1698 O GLY A 130 27.981 -18.263 10.470 1.00 0.00 O ATOM 0 H GLY A 130 26.039 -14.777 11.185 1.00 0.00 H new ATOM 0 HA2 GLY A 130 27.080 -15.982 8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 130 27.946 -15.712 10.299 1.00 0.00 H new ATOM 1702 N ALA A 131 25.811 -18.245 10.119 1.00 0.00 N ATOM 1703 CA ALA A 131 25.706 -19.707 10.400 1.00 0.00 C ATOM 1704 C ALA A 131 24.485 -20.280 9.671 1.00 0.00 C ATOM 1705 O ALA A 131 24.594 -21.225 8.916 1.00 0.00 O ATOM 1706 CB ALA A 131 25.564 -19.931 11.909 1.00 0.00 C ATOM 0 H ALA A 131 24.932 -17.785 9.884 1.00 0.00 H new ATOM 0 HA ALA A 131 26.605 -20.212 10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 131 25.487 -20.999 12.113 1.00 0.00 H new ATOM 0 HB2 ALA A 131 26.437 -19.526 12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 131 24.666 -19.428 12.269 1.00 0.00 H new ATOM 1712 N SER A 132 23.324 -19.714 9.887 1.00 0.00 N ATOM 1713 CA SER A 132 22.092 -20.222 9.205 1.00 0.00 C ATOM 1714 C SER A 132 21.770 -19.326 8.006 1.00 0.00 C ATOM 1715 O SER A 132 20.622 -19.078 7.695 1.00 0.00 O ATOM 1716 CB SER A 132 20.920 -20.190 10.188 1.00 0.00 C ATOM 1717 OG SER A 132 21.279 -20.884 11.374 1.00 0.00 O ATOM 0 H SER A 132 23.175 -18.919 10.508 1.00 0.00 H new ATOM 0 HA SER A 132 22.258 -21.244 8.865 1.00 0.00 H new ATOM 0 HB2 SER A 132 20.656 -19.159 10.423 1.00 0.00 H new ATOM 0 HB3 SER A 132 20.040 -20.649 9.737 1.00 0.00 H new ATOM 0 HG SER A 132 20.530 -20.863 12.005 1.00 0.00 H new ATOM 1723 N THR A 133 22.775 -18.832 7.337 1.00 0.00 N ATOM 1724 CA THR A 133 22.529 -17.943 6.164 1.00 0.00 C ATOM 1725 C THR A 133 22.100 -18.801 4.946 1.00 0.00 C ATOM 1726 O THR A 133 22.865 -19.626 4.487 1.00 0.00 O ATOM 1727 CB THR A 133 23.843 -17.191 5.830 1.00 0.00 C ATOM 1728 OG1 THR A 133 24.747 -17.331 6.913 1.00 0.00 O ATOM 1729 CG2 THR A 133 23.571 -15.700 5.590 1.00 0.00 C ATOM 0 H THR A 133 23.757 -19.005 7.551 1.00 0.00 H new ATOM 0 HA THR A 133 21.738 -17.229 6.395 1.00 0.00 H new ATOM 0 HB THR A 133 24.270 -17.619 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 133 24.442 -16.784 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 133 24.507 -15.192 5.357 1.00 0.00 H new ATOM 0 HG22 THR A 133 22.879 -15.586 4.755 1.00 0.00 H new ATOM 0 HG23 THR A 133 23.133 -15.261 6.487 1.00 0.00 H new ATOM 1737 N PRO A 134 20.912 -18.612 4.404 1.00 0.00 N ATOM 1738 CA PRO A 134 20.455 -19.389 3.217 1.00 0.00 C ATOM 1739 C PRO A 134 21.062 -18.845 1.917 1.00 0.00 C ATOM 1740 O PRO A 134 21.886 -17.953 1.932 1.00 0.00 O ATOM 1741 CB PRO A 134 18.933 -19.208 3.235 1.00 0.00 C ATOM 1742 CG PRO A 134 18.718 -17.866 3.861 1.00 0.00 C ATOM 1743 CD PRO A 134 19.877 -17.657 4.849 1.00 0.00 C ATOM 0 HA PRO A 134 20.761 -20.434 3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 134 18.518 -19.246 2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 134 18.447 -19.996 3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 134 18.707 -17.082 3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 134 17.758 -17.827 4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 134 20.244 -16.631 4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 134 19.566 -17.856 5.875 1.00 0.00 H new ATOM 1751 N ASP A 135 20.655 -19.380 0.796 1.00 0.00 N ATOM 1752 CA ASP A 135 21.191 -18.913 -0.519 1.00 0.00 C ATOM 1753 C ASP A 135 20.122 -18.077 -1.221 1.00 0.00 C ATOM 1754 O ASP A 135 19.033 -18.541 -1.496 1.00 0.00 O ATOM 1755 CB ASP A 135 21.536 -20.128 -1.383 1.00 0.00 C ATOM 1756 CG ASP A 135 22.398 -19.686 -2.567 1.00 0.00 C ATOM 1757 OD1 ASP A 135 22.703 -18.507 -2.645 1.00 0.00 O ATOM 1758 OD2 ASP A 135 22.738 -20.534 -3.376 1.00 0.00 O ATOM 0 H ASP A 135 19.966 -20.130 0.734 1.00 0.00 H new ATOM 0 HA ASP A 135 22.087 -18.312 -0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 135 22.069 -20.870 -0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 135 20.623 -20.603 -1.742 1.00 0.00 H new ATOM 1763 N LEU A 136 20.425 -16.845 -1.497 1.00 0.00 N ATOM 1764 CA LEU A 136 19.432 -15.957 -2.168 1.00 0.00 C ATOM 1765 C LEU A 136 19.440 -16.192 -3.681 1.00 0.00 C ATOM 1766 O LEU A 136 20.479 -16.326 -4.297 1.00 0.00 O ATOM 1767 CB LEU A 136 19.790 -14.498 -1.884 1.00 0.00 C ATOM 1768 CG LEU A 136 19.739 -14.222 -0.377 1.00 0.00 C ATOM 1769 CD1 LEU A 136 20.163 -12.771 -0.128 1.00 0.00 C ATOM 1770 CD2 LEU A 136 18.314 -14.444 0.156 1.00 0.00 C ATOM 0 H LEU A 136 21.322 -16.408 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 136 18.438 -16.183 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 136 20.787 -14.280 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 136 19.097 -13.838 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 136 20.414 -14.903 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 136 20.131 -12.561 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 136 21.177 -12.620 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 136 19.483 -12.098 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 136 18.291 -14.245 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 136 17.626 -13.769 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 136 18.013 -15.476 -0.028 1.00 0.00 H new ATOM 1782 N GLN A 137 18.274 -16.236 -4.277 1.00 0.00 N ATOM 1783 CA GLN A 137 18.162 -16.457 -5.754 1.00 0.00 C ATOM 1784 C GLN A 137 17.258 -15.379 -6.362 1.00 0.00 C ATOM 1785 O GLN A 137 17.596 -14.214 -6.242 1.00 0.00 O ATOM 1786 CB GLN A 137 17.551 -17.840 -6.008 1.00 0.00 C ATOM 1787 CG GLN A 137 18.172 -18.859 -5.051 1.00 0.00 C ATOM 1788 CD GLN A 137 19.696 -18.838 -5.201 1.00 0.00 C ATOM 1789 OE1 GLN A 137 20.451 -18.732 -4.139 1.00 0.00 O flip ATOM 1790 NE2 GLN A 137 20.208 -18.919 -6.300 1.00 0.00 N flip ATOM 1791 OXT GLN A 137 16.245 -15.739 -6.939 1.00 0.00 O ATOM 0 H GLN A 137 17.381 -16.127 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 137 19.149 -16.402 -6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 137 16.471 -17.803 -5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 137 17.726 -18.142 -7.041 1.00 0.00 H new ATOM 0 HG2 GLN A 137 17.894 -18.625 -4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 137 17.788 -19.856 -5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 137 19.622 -19.002 -7.131 1.00 0.00 H new ATOM 0 HE22 GLN A 137 21.224 -18.904 -6.392 1.00 0.00 H new TER 1800 GLN A 137 HETATM 1801 MG MG A 2 18.061 -0.958 22.818 1.00 0.00 MG HETATM 1802 PG ATP A 1 12.188 -2.885 18.636 1.00 0.00 P HETATM 1803 O1G ATP A 1 12.065 -3.972 19.659 1.00 0.00 O HETATM 1804 O2G ATP A 1 10.884 -2.461 18.036 1.00 0.00 O HETATM 1805 O3G ATP A 1 13.339 -3.015 17.682 1.00 0.00 O HETATM 1806 PB ATP A 1 13.353 -0.598 20.986 1.00 0.00 P HETATM 1807 O1B ATP A 1 12.459 -0.697 22.181 1.00 0.00 O HETATM 1808 O2B ATP A 1 14.740 -1.103 21.214 1.00 0.00 O HETATM 1809 O3B ATP A 1 12.620 -1.387 19.645 1.00 0.00 O HETATM 1810 PA ATP A 1 13.412 2.167 19.380 1.00 0.00 P HETATM 1811 O1A ATP A 1 14.099 1.643 18.189 1.00 0.00 O HETATM 1812 O2A ATP A 1 13.905 3.466 19.876 1.00 0.00 O HETATM 1813 O3A ATP A 1 13.506 1.084 20.681 1.00 0.00 O HETATM 1814 O5' ATP A 1 11.804 2.396 18.909 1.00 0.00 O HETATM 1815 C5' ATP A 1 10.854 3.073 19.726 1.00 0.00 C HETATM 1816 C4' ATP A 1 11.115 4.599 19.863 1.00 0.00 C HETATM 1817 O4' ATP A 1 9.942 5.325 19.505 1.00 0.00 O HETATM 1818 C3' ATP A 1 11.490 5.072 21.287 1.00 0.00 C HETATM 1819 O3' ATP A 1 12.904 5.141 21.493 1.00 0.00 O HETATM 1820 C2' ATP A 1 10.881 6.471 21.396 1.00 0.00 C HETATM 1821 O2' ATP A 1 11.938 7.390 21.171 1.00 0.00 O HETATM 1822 C1' ATP A 1 9.828 6.524 20.273 1.00 0.00 C HETATM 1823 N9 ATP A 1 8.436 6.625 20.780 1.00 0.00 N HETATM 1824 C8 ATP A 1 7.508 7.614 20.525 1.00 0.00 C HETATM 1825 N7 ATP A 1 6.342 7.441 21.097 1.00 0.00 N HETATM 1826 C5 ATP A 1 6.492 6.262 21.817 1.00 0.00 C HETATM 1827 C6 ATP A 1 5.662 5.505 22.682 1.00 0.00 C HETATM 1828 N6 ATP A 1 4.403 5.831 22.976 1.00 0.00 N HETATM 1829 N1 ATP A 1 6.171 4.400 23.267 1.00 0.00 N HETATM 1830 C2 ATP A 1 7.429 4.034 23.007 1.00 0.00 C HETATM 1831 N3 ATP A 1 8.321 4.631 22.214 1.00 0.00 N HETATM 1832 C4 ATP A 1 7.806 5.752 21.636 1.00 0.00 C HETATM 0 HO3' ATP A 1 13.368 4.834 20.686 1.00 0.00 H new HETATM 0 HO2' ATP A 1 12.796 6.919 21.214 1.00 0.00 H new HETATM 0 HN62 ATP A 1 3.858 5.243 23.607 1.00 0.00 H new HETATM 0 HN61 ATP A 1 3.985 6.668 22.570 1.00 0.00 H new HETATM 0 H5'2 ATP A 1 9.858 2.921 19.310 1.00 0.00 H new HETATM 0 H5'1 ATP A 1 10.857 2.623 20.719 1.00 0.00 H new HETATM 0 H8 ATP A 1 7.729 8.475 19.894 1.00 0.00 H new HETATM 0 H4' ATP A 1 11.963 4.788 19.204 1.00 0.00 H new HETATM 0 H3' ATP A 1 11.120 4.373 22.037 1.00 0.00 H new HETATM 0 H2' ATP A 1 10.421 6.704 22.356 1.00 0.00 H new HETATM 0 H2 ATP A 1 7.772 3.129 23.508 1.00 0.00 H new HETATM 0 H1' ATP A 1 10.021 7.419 19.681 1.00 0.00 H new