USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 MET CE :methyl -127:sc=-0.000464 (180deg=-0.0295) USER MOD Set 1.2: A 77 GLN : amide:sc= -1.69 K(o=-1.7,f=-3.8!) USER MOD Set 2.1: A 30 GLN : amide:sc= -2.92! C(o=-4.7!,f=-18!) USER MOD Set 2.2: A 75 ASN : amide:sc= -1.81 K(o=-4.7,f=-6.3!) USER MOD Set 3.1: A 15 ASN : amide:sc= -2.1 X(o=-7.6,f=-7.2) USER MOD Set 3.2: A 18 LYS NZ :NH3+ -115:sc= -5.52! (180deg=-8.25!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= -0.529 (180deg=-2.05!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.0077) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 160:sc= -1.71! USER MOD Single : A 16 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.46) USER MOD Single : A 19 GLN : amide:sc= -5.87! C(o=-5.9!,f=-7.8!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.93! K(o=-2.9!,f=-2.4) USER MOD Single : A 31 LYS NZ :NH3+ -112:sc= -0.827 (180deg=-2.27!) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0991) USER MOD Single : A 38 THR OG1 : rot 110:sc= -0.399 USER MOD Single : A 39 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.036) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -117:sc= -0.396 (180deg=-2.71!) USER MOD Single : A 45 ASN : amide:sc= -4.1! C(o=-4.1!,f=-3!) USER MOD Single : A 46 GLN : amide:sc= -12.2! C(o=-12!,f=-16!) USER MOD Single : A 51 HIS : no HD1:sc= -3.32 K(o=-3.3,f=-2.2) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.592 K(o=-0.59,f=-3.9!) USER MOD Single : A 61 CYS SG : rot -73:sc= -0.583 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= -1.15 (180deg=-1.41) USER MOD Single : A 66 SER OG : rot -114:sc= -1.71! USER MOD Single : A 67 LYS NZ :NH3+ -107:sc= -7.06! (180deg=-11.8!) USER MOD Single : A 72 HIS : no HD1:sc= -0.06 X(o=-0.06,f=-0.25) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -5.67! C(o=-5.7!,f=-9!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.824 59.078 -1.461 1.00 0.00 N ATOM 2 CA GLY A 1 2.005 59.550 -2.237 1.00 0.00 C ATOM 3 C GLY A 1 3.269 59.406 -1.394 1.00 0.00 C ATOM 4 O GLY A 1 4.084 58.513 -1.622 1.00 0.00 O ATOM 0 H1 GLY A 1 0.351 58.311 -1.981 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.136 58.726 -0.533 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.159 59.866 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.102 58.972 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.868 60.591 -2.528 1.00 0.00 H new ATOM 10 N PRO A 2 3.442 60.277 -0.437 1.00 0.00 N ATOM 11 CA PRO A 2 4.636 60.272 0.462 1.00 0.00 C ATOM 12 C PRO A 2 4.758 58.991 1.289 1.00 0.00 C ATOM 13 O PRO A 2 3.761 58.450 1.770 1.00 0.00 O ATOM 14 CB PRO A 2 4.431 61.489 1.371 1.00 0.00 C ATOM 15 CG PRO A 2 2.996 61.883 1.236 1.00 0.00 C ATOM 16 CD PRO A 2 2.509 61.364 -0.115 1.00 0.00 C ATOM 0 HA PRO A 2 5.560 60.315 -0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.670 61.245 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.087 62.308 1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.403 61.460 2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.888 62.966 1.294 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.482 61.004 -0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.530 62.146 -0.874 1.00 0.00 H new ATOM 24 N LEU A 3 5.995 58.522 1.458 1.00 0.00 N ATOM 25 CA LEU A 3 6.253 57.311 2.235 1.00 0.00 C ATOM 26 C LEU A 3 5.912 57.527 3.708 1.00 0.00 C ATOM 27 O LEU A 3 5.419 56.623 4.383 1.00 0.00 O ATOM 28 CB LEU A 3 7.729 56.912 2.112 1.00 0.00 C ATOM 29 CG LEU A 3 7.970 56.191 0.780 1.00 0.00 C ATOM 30 CD1 LEU A 3 8.169 57.222 -0.333 1.00 0.00 C ATOM 31 CD2 LEU A 3 9.224 55.312 0.879 1.00 0.00 C ATOM 0 H LEU A 3 6.830 58.960 1.069 1.00 0.00 H new ATOM 0 HA LEU A 3 5.622 56.515 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.360 57.799 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.009 56.263 2.942 1.00 0.00 H new ATOM 0 HG LEU A 3 7.106 55.566 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.340 56.708 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.279 57.846 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.030 57.848 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.388 54.804 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.088 55.935 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.088 54.572 1.668 1.00 0.00 H new ATOM 43 N GLY A 4 6.177 58.732 4.198 1.00 0.00 N ATOM 44 CA GLY A 4 5.892 59.067 5.588 1.00 0.00 C ATOM 45 C GLY A 4 5.883 57.826 6.477 1.00 0.00 C ATOM 46 O GLY A 4 6.723 56.938 6.335 1.00 0.00 O ATOM 0 H GLY A 4 6.588 59.492 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.640 59.771 5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.926 59.567 5.651 1.00 0.00 H new ATOM 50 N SER A 5 4.930 57.790 7.404 1.00 0.00 N ATOM 51 CA SER A 5 4.809 56.675 8.339 1.00 0.00 C ATOM 52 C SER A 5 3.985 55.531 7.749 1.00 0.00 C ATOM 53 O SER A 5 3.636 54.583 8.456 1.00 0.00 O ATOM 54 CB SER A 5 4.154 57.162 9.631 1.00 0.00 C ATOM 55 OG SER A 5 4.957 58.189 10.196 1.00 0.00 O ATOM 0 H SER A 5 4.229 58.521 7.528 1.00 0.00 H new ATOM 0 HA SER A 5 5.811 56.297 8.544 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.151 57.537 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.048 56.336 10.335 1.00 0.00 H new ATOM 0 HG SER A 5 4.543 58.509 11.025 1.00 0.00 H new ATOM 61 N MET A 6 3.673 55.617 6.459 1.00 0.00 N ATOM 62 CA MET A 6 2.888 54.573 5.807 1.00 0.00 C ATOM 63 C MET A 6 3.663 53.971 4.642 1.00 0.00 C ATOM 64 O MET A 6 4.880 54.131 4.550 1.00 0.00 O ATOM 65 CB MET A 6 1.564 55.150 5.300 1.00 0.00 C ATOM 66 CG MET A 6 1.648 56.675 5.272 1.00 0.00 C ATOM 67 SD MET A 6 0.071 57.357 4.706 1.00 0.00 S ATOM 68 CE MET A 6 0.591 59.086 4.626 1.00 0.00 C ATOM 0 H MET A 6 3.947 56.388 5.851 1.00 0.00 H new ATOM 0 HA MET A 6 2.684 53.790 6.537 1.00 0.00 H new ATOM 0 HB2 MET A 6 1.348 54.769 4.302 1.00 0.00 H new ATOM 0 HB3 MET A 6 0.746 54.832 5.946 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.885 57.055 6.266 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.453 56.993 4.609 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.244 59.702 4.292 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.912 59.415 5.614 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.419 59.185 3.924 1.00 0.00 H new ATOM 78 N ASN A 7 2.948 53.278 3.757 1.00 0.00 N ATOM 79 CA ASN A 7 3.567 52.651 2.593 1.00 0.00 C ATOM 80 C ASN A 7 3.866 51.183 2.867 1.00 0.00 C ATOM 81 O ASN A 7 4.463 50.841 3.887 1.00 0.00 O ATOM 82 CB ASN A 7 4.866 53.368 2.224 1.00 0.00 C ATOM 83 CG ASN A 7 5.210 53.096 0.765 1.00 0.00 C ATOM 84 OD1 ASN A 7 6.278 52.563 0.467 1.00 0.00 O ATOM 85 ND2 ASN A 7 4.360 53.426 -0.169 1.00 0.00 N ATOM 0 H ASN A 7 1.940 53.137 3.825 1.00 0.00 H new ATOM 0 HA ASN A 7 2.865 52.725 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.759 54.440 2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.676 53.026 2.868 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.581 53.242 -1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.475 53.868 0.080 1.00 0.00 H new ATOM 92 N LYS A 8 3.460 50.321 1.943 1.00 0.00 N ATOM 93 CA LYS A 8 3.708 48.898 2.091 1.00 0.00 C ATOM 94 C LYS A 8 5.193 48.672 2.355 1.00 0.00 C ATOM 95 O LYS A 8 6.007 49.565 2.125 1.00 0.00 O ATOM 96 CB LYS A 8 3.274 48.162 0.819 1.00 0.00 C ATOM 97 CG LYS A 8 1.747 48.210 0.700 1.00 0.00 C ATOM 98 CD LYS A 8 1.305 47.488 -0.576 1.00 0.00 C ATOM 99 CE LYS A 8 -0.223 47.412 -0.619 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.642 46.447 -1.676 1.00 0.00 N1+ ATOM 0 H LYS A 8 2.962 50.582 1.092 1.00 0.00 H new ATOM 0 HA LYS A 8 3.133 48.509 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.733 48.623 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.615 47.127 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.290 47.741 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.407 49.245 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.678 48.017 -1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.730 46.485 -0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.610 47.097 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.641 48.397 -0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.680 46.394 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.284 46.766 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.254 45.506 -1.461 1.00 0.00 H new ATOM 114 N PHE A 9 5.547 47.495 2.853 1.00 0.00 N ATOM 115 CA PHE A 9 6.946 47.211 3.152 1.00 0.00 C ATOM 116 C PHE A 9 7.733 46.936 1.878 1.00 0.00 C ATOM 117 O PHE A 9 7.200 46.404 0.904 1.00 0.00 O ATOM 118 CB PHE A 9 7.048 46.014 4.097 1.00 0.00 C ATOM 119 CG PHE A 9 6.660 46.448 5.492 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.624 47.004 6.340 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.337 46.309 5.930 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.268 47.415 7.630 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.981 46.721 7.221 1.00 0.00 C ATOM 124 CZ PHE A 9 5.946 47.277 8.071 1.00 0.00 C ATOM 0 H PHE A 9 4.899 46.733 3.056 1.00 0.00 H new ATOM 0 HA PHE A 9 7.375 48.089 3.635 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.394 45.211 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.064 45.620 4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.643 47.116 5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.592 45.885 5.273 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.014 47.839 8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.962 46.610 7.561 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.671 47.599 9.065 1.00 0.00 H new ATOM 134 N THR A 10 9.012 47.301 1.898 1.00 0.00 N ATOM 135 CA THR A 10 9.879 47.091 0.744 1.00 0.00 C ATOM 136 C THR A 10 10.417 45.670 0.760 1.00 0.00 C ATOM 137 O THR A 10 10.441 45.022 1.806 1.00 0.00 O ATOM 138 CB THR A 10 11.057 48.067 0.789 1.00 0.00 C ATOM 139 OG1 THR A 10 11.828 47.809 1.950 1.00 0.00 O ATOM 140 CG2 THR A 10 10.544 49.510 0.825 1.00 0.00 C ATOM 0 H THR A 10 9.469 47.741 2.697 1.00 0.00 H new ATOM 0 HA THR A 10 9.300 47.259 -0.164 1.00 0.00 H new ATOM 0 HB THR A 10 11.671 47.933 -0.102 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.727 48.183 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.390 50.196 0.857 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.950 49.707 -0.067 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.926 49.654 1.711 1.00 0.00 H new ATOM 148 N ASP A 11 10.841 45.176 -0.395 1.00 0.00 N ATOM 149 CA ASP A 11 11.364 43.821 -0.465 1.00 0.00 C ATOM 150 C ASP A 11 12.459 43.617 0.578 1.00 0.00 C ATOM 151 O ASP A 11 12.514 42.576 1.231 1.00 0.00 O ATOM 152 CB ASP A 11 11.926 43.546 -1.860 1.00 0.00 C ATOM 153 CG ASP A 11 10.789 43.404 -2.867 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.660 43.238 -2.437 1.00 0.00 O ATOM 155 OD2 ASP A 11 11.066 43.465 -4.054 1.00 0.00 O1- ATOM 0 H ASP A 11 10.834 45.683 -1.280 1.00 0.00 H new ATOM 0 HA ASP A 11 10.549 43.126 -0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.588 44.358 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.525 42.635 -1.846 1.00 0.00 H new ATOM 160 N ASP A 12 13.323 44.616 0.740 1.00 0.00 N ATOM 161 CA ASP A 12 14.403 44.516 1.719 1.00 0.00 C ATOM 162 C ASP A 12 13.843 44.454 3.130 1.00 0.00 C ATOM 163 O ASP A 12 14.244 43.614 3.937 1.00 0.00 O ATOM 164 CB ASP A 12 15.337 45.719 1.603 1.00 0.00 C ATOM 165 CG ASP A 12 16.125 45.646 0.301 1.00 0.00 C ATOM 166 OD1 ASP A 12 15.978 44.661 -0.404 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.870 46.574 0.030 1.00 0.00 O1- ATOM 0 H ASP A 12 13.299 45.491 0.216 1.00 0.00 H new ATOM 0 HA ASP A 12 14.960 43.602 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.759 46.643 1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.022 45.741 2.451 1.00 0.00 H new ATOM 172 N GLU A 13 12.902 45.340 3.420 1.00 0.00 N ATOM 173 CA GLU A 13 12.283 45.372 4.731 1.00 0.00 C ATOM 174 C GLU A 13 11.511 44.087 4.944 1.00 0.00 C ATOM 175 O GLU A 13 11.473 43.537 6.045 1.00 0.00 O ATOM 176 CB GLU A 13 11.347 46.574 4.813 1.00 0.00 C ATOM 177 CG GLU A 13 12.174 47.862 4.728 1.00 0.00 C ATOM 178 CD GLU A 13 13.029 48.027 5.980 1.00 0.00 C ATOM 179 OE1 GLU A 13 12.646 47.499 7.010 1.00 0.00 O ATOM 180 OE2 GLU A 13 14.061 48.672 5.887 1.00 0.00 O1- ATOM 0 H GLU A 13 12.554 46.042 2.767 1.00 0.00 H new ATOM 0 HA GLU A 13 13.044 45.463 5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.620 46.540 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.785 46.549 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.812 47.835 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.512 48.720 4.616 1.00 0.00 H new ATOM 187 N TRP A 14 10.912 43.601 3.868 1.00 0.00 N ATOM 188 CA TRP A 14 10.161 42.374 3.930 1.00 0.00 C ATOM 189 C TRP A 14 11.102 41.234 4.286 1.00 0.00 C ATOM 190 O TRP A 14 10.831 40.460 5.201 1.00 0.00 O ATOM 191 CB TRP A 14 9.494 42.130 2.578 1.00 0.00 C ATOM 192 CG TRP A 14 8.210 41.404 2.778 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.855 40.273 2.133 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.100 41.743 3.661 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.601 39.885 2.570 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.094 40.759 3.514 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.870 42.797 4.571 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.906 40.817 4.243 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.674 42.858 5.302 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.697 41.869 5.141 1.00 0.00 C ATOM 0 H TRP A 14 10.936 44.041 2.948 1.00 0.00 H new ATOM 0 HA TRP A 14 9.386 42.437 4.694 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.312 43.079 2.074 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.155 41.550 1.935 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.452 39.756 1.396 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.110 39.055 2.236 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.620 43.562 4.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.152 40.054 4.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.507 43.672 5.992 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.781 41.918 5.711 1.00 0.00 H new ATOM 211 N ASN A 15 12.221 41.147 3.572 1.00 0.00 N ATOM 212 CA ASN A 15 13.206 40.103 3.826 1.00 0.00 C ATOM 213 C ASN A 15 13.622 40.099 5.292 1.00 0.00 C ATOM 214 O ASN A 15 13.768 39.041 5.904 1.00 0.00 O ATOM 215 CB ASN A 15 14.437 40.346 2.952 1.00 0.00 C ATOM 216 CG ASN A 15 14.076 40.164 1.484 1.00 0.00 C ATOM 217 OD1 ASN A 15 13.376 39.216 1.128 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.511 41.026 0.606 1.00 0.00 N ATOM 0 H ASN A 15 12.467 41.785 2.815 1.00 0.00 H new ATOM 0 HA ASN A 15 12.761 39.137 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.819 41.353 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.232 39.653 3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.271 40.916 -0.379 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.091 41.810 0.905 1.00 0.00 H new ATOM 225 N GLN A 16 13.784 41.287 5.859 1.00 0.00 N ATOM 226 CA GLN A 16 14.152 41.397 7.266 1.00 0.00 C ATOM 227 C GLN A 16 13.013 40.854 8.116 1.00 0.00 C ATOM 228 O GLN A 16 13.228 40.129 9.088 1.00 0.00 O ATOM 229 CB GLN A 16 14.427 42.859 7.620 1.00 0.00 C ATOM 230 CG GLN A 16 15.673 43.328 6.868 1.00 0.00 C ATOM 231 CD GLN A 16 15.584 44.821 6.582 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.016 45.575 7.373 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.115 45.294 5.488 1.00 0.00 N ATOM 0 H GLN A 16 13.669 42.177 5.375 1.00 0.00 H new ATOM 0 HA GLN A 16 15.057 40.820 7.458 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.571 43.478 7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.574 42.965 8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.564 43.116 7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.771 42.776 5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.584 44.666 4.836 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.061 46.292 5.285 1.00 0.00 H new ATOM 242 N LEU A 17 11.798 41.213 7.719 1.00 0.00 N ATOM 243 CA LEU A 17 10.601 40.771 8.413 1.00 0.00 C ATOM 244 C LEU A 17 10.502 39.248 8.359 1.00 0.00 C ATOM 245 O LEU A 17 10.085 38.608 9.324 1.00 0.00 O ATOM 246 CB LEU A 17 9.374 41.402 7.749 1.00 0.00 C ATOM 247 CG LEU A 17 8.111 41.029 8.522 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.111 41.740 9.875 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.881 41.464 7.721 1.00 0.00 C ATOM 0 H LEU A 17 11.618 41.813 6.914 1.00 0.00 H new ATOM 0 HA LEU A 17 10.647 41.081 9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.484 42.486 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.293 41.060 6.717 1.00 0.00 H new ATOM 0 HG LEU A 17 8.085 39.951 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.209 41.473 10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.988 41.436 10.446 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.135 42.819 9.719 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.977 41.199 8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.910 42.543 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.879 40.960 6.755 1.00 0.00 H new ATOM 261 N LYS A 18 10.898 38.677 7.223 1.00 0.00 N ATOM 262 CA LYS A 18 10.855 37.229 7.056 1.00 0.00 C ATOM 263 C LYS A 18 11.741 36.534 8.091 1.00 0.00 C ATOM 264 O LYS A 18 11.333 35.548 8.699 1.00 0.00 O ATOM 265 CB LYS A 18 11.322 36.842 5.647 1.00 0.00 C ATOM 266 CG LYS A 18 10.343 37.394 4.605 1.00 0.00 C ATOM 267 CD LYS A 18 10.783 36.958 3.205 1.00 0.00 C ATOM 268 CE LYS A 18 10.036 37.776 2.152 1.00 0.00 C ATOM 269 NZ LYS A 18 10.438 39.205 2.252 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.248 39.190 6.414 1.00 0.00 H new ATOM 0 HA LYS A 18 9.824 36.906 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.322 37.236 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.386 35.757 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.336 37.032 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.309 38.482 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.858 37.097 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.582 35.896 3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.258 37.394 1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.960 37.679 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.619 39.777 2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.196 39.304 2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.781 39.535 1.327 1.00 0.00 H new ATOM 283 N GLN A 19 12.956 37.047 8.283 1.00 0.00 N ATOM 284 CA GLN A 19 13.881 36.445 9.245 1.00 0.00 C ATOM 285 C GLN A 19 13.330 36.522 10.664 1.00 0.00 C ATOM 286 O GLN A 19 13.409 35.553 11.417 1.00 0.00 O ATOM 287 CB GLN A 19 15.242 37.149 9.188 1.00 0.00 C ATOM 288 CG GLN A 19 16.055 36.633 7.993 1.00 0.00 C ATOM 289 CD GLN A 19 15.125 36.079 6.917 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.372 36.830 6.298 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.140 34.801 6.654 1.00 0.00 N ATOM 0 H GLN A 19 13.320 37.865 7.794 1.00 0.00 H new ATOM 0 HA GLN A 19 14.001 35.396 8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.099 38.226 9.102 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.790 36.973 10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.659 37.441 7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.744 35.856 8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.766 34.182 7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.526 34.421 5.933 1.00 0.00 H new ATOM 300 N ASP A 20 12.781 37.674 11.031 1.00 0.00 N ATOM 301 CA ASP A 20 12.233 37.845 12.367 1.00 0.00 C ATOM 302 C ASP A 20 11.082 36.875 12.613 1.00 0.00 C ATOM 303 O ASP A 20 10.967 36.300 13.695 1.00 0.00 O ATOM 304 CB ASP A 20 11.763 39.287 12.548 1.00 0.00 C ATOM 305 CG ASP A 20 12.971 40.217 12.564 1.00 0.00 C ATOM 306 OD1 ASP A 20 14.071 39.721 12.748 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.783 41.410 12.398 1.00 0.00 O ATOM 0 H ASP A 20 12.705 38.494 10.429 1.00 0.00 H new ATOM 0 HA ASP A 20 13.014 37.628 13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.087 39.565 11.739 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.203 39.384 13.478 1.00 0.00 H new ATOM 312 N PHE A 21 10.239 36.680 11.606 1.00 0.00 N ATOM 313 CA PHE A 21 9.118 35.760 11.740 1.00 0.00 C ATOM 314 C PHE A 21 9.643 34.340 11.881 1.00 0.00 C ATOM 315 O PHE A 21 9.237 33.595 12.771 1.00 0.00 O ATOM 316 CB PHE A 21 8.209 35.864 10.518 1.00 0.00 C ATOM 317 CG PHE A 21 7.336 37.098 10.641 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.731 38.177 11.450 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.119 37.157 9.951 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.913 39.307 11.560 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.303 38.288 10.063 1.00 0.00 C ATOM 322 CZ PHE A 21 5.699 39.363 10.868 1.00 0.00 C ATOM 0 H PHE A 21 10.309 37.141 10.699 1.00 0.00 H new ATOM 0 HA PHE A 21 8.541 36.020 12.628 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.808 35.919 9.609 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.587 34.972 10.437 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.667 38.134 11.987 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.810 36.328 9.331 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.219 40.137 12.180 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.366 38.332 9.528 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.067 40.235 10.954 1.00 0.00 H new ATOM 332 N ILE A 22 10.580 33.994 11.012 1.00 0.00 N ATOM 333 CA ILE A 22 11.196 32.679 11.053 1.00 0.00 C ATOM 334 C ILE A 22 11.818 32.469 12.429 1.00 0.00 C ATOM 335 O ILE A 22 11.665 31.414 13.046 1.00 0.00 O ATOM 336 CB ILE A 22 12.259 32.584 9.957 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.567 32.650 8.594 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.024 31.264 10.081 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.600 32.943 7.505 1.00 0.00 C ATOM 0 H ILE A 22 10.929 34.604 10.273 1.00 0.00 H new ATOM 0 HA ILE A 22 10.450 31.904 10.879 1.00 0.00 H new ATOM 0 HB ILE A 22 12.964 33.409 10.059 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.062 31.707 8.386 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.802 33.426 8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.778 31.206 9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.509 31.215 11.056 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.330 30.430 9.979 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.104 32.989 6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.085 33.897 7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.349 32.151 7.492 1.00 0.00 H new ATOM 351 N SER A 23 12.508 33.498 12.905 1.00 0.00 N ATOM 352 CA SER A 23 13.143 33.447 14.213 1.00 0.00 C ATOM 353 C SER A 23 12.110 33.130 15.293 1.00 0.00 C ATOM 354 O SER A 23 12.361 32.333 16.195 1.00 0.00 O ATOM 355 CB SER A 23 13.798 34.795 14.523 1.00 0.00 C ATOM 356 OG SER A 23 14.518 34.697 15.744 1.00 0.00 O ATOM 0 H SER A 23 12.641 34.377 12.404 1.00 0.00 H new ATOM 0 HA SER A 23 13.900 32.663 14.201 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.469 35.081 13.713 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.038 35.573 14.597 1.00 0.00 H new ATOM 0 HG SER A 23 14.940 35.558 15.945 1.00 0.00 H new ATOM 362 N GLY A 24 10.946 33.760 15.188 1.00 0.00 N ATOM 363 CA GLY A 24 9.877 33.546 16.156 1.00 0.00 C ATOM 364 C GLY A 24 9.405 32.095 16.159 1.00 0.00 C ATOM 365 O GLY A 24 9.048 31.556 17.205 1.00 0.00 O ATOM 0 H GLY A 24 10.719 34.421 14.445 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.227 33.817 17.152 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.038 34.202 15.923 1.00 0.00 H new ATOM 369 N ILE A 25 9.392 31.472 14.984 1.00 0.00 N ATOM 370 CA ILE A 25 8.943 30.085 14.878 1.00 0.00 C ATOM 371 C ILE A 25 9.962 29.134 15.501 1.00 0.00 C ATOM 372 O ILE A 25 9.590 28.140 16.124 1.00 0.00 O ATOM 373 CB ILE A 25 8.715 29.718 13.407 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.776 30.738 12.756 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.082 28.329 13.316 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.617 31.059 13.704 1.00 0.00 C ATOM 0 H ILE A 25 9.682 31.897 14.103 1.00 0.00 H new ATOM 0 HA ILE A 25 8.004 29.987 15.423 1.00 0.00 H new ATOM 0 HB ILE A 25 9.674 29.721 12.889 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.324 31.649 12.517 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.390 30.342 11.817 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.921 28.070 12.269 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.747 27.596 13.773 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.127 28.329 13.841 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.953 31.785 13.234 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.061 30.147 13.921 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.010 31.474 14.632 1.00 0.00 H new ATOM 388 N LEU A 26 11.247 29.447 15.349 1.00 0.00 N ATOM 389 CA LEU A 26 12.296 28.609 15.929 1.00 0.00 C ATOM 390 C LEU A 26 12.498 28.975 17.396 1.00 0.00 C ATOM 391 O LEU A 26 12.907 28.147 18.209 1.00 0.00 O ATOM 392 CB LEU A 26 13.609 28.790 15.158 1.00 0.00 C ATOM 393 CG LEU A 26 14.463 29.873 15.830 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.160 29.293 17.066 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.518 30.375 14.840 1.00 0.00 C ATOM 0 H LEU A 26 11.585 30.262 14.837 1.00 0.00 H new ATOM 0 HA LEU A 26 11.991 27.565 15.859 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.157 27.848 15.129 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.399 29.069 14.125 1.00 0.00 H new ATOM 0 HG LEU A 26 13.821 30.700 16.134 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.765 30.066 17.539 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.411 28.936 17.772 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.801 28.464 16.767 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.126 31.145 15.315 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.156 29.545 14.536 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.024 30.793 13.963 1.00 0.00 H new ATOM 407 N GLU A 27 12.197 30.228 17.717 1.00 0.00 N ATOM 408 CA GLU A 27 12.331 30.724 19.079 1.00 0.00 C ATOM 409 C GLU A 27 11.272 30.093 19.974 1.00 0.00 C ATOM 410 O GLU A 27 11.506 29.850 21.157 1.00 0.00 O ATOM 411 CB GLU A 27 12.176 32.248 19.080 1.00 0.00 C ATOM 412 CG GLU A 27 12.242 32.784 20.512 1.00 0.00 C ATOM 413 CD GLU A 27 13.621 32.524 21.108 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.501 32.122 20.364 1.00 0.00 O ATOM 415 OE2 GLU A 27 13.780 32.742 22.298 1.00 0.00 O1- ATOM 0 H GLU A 27 11.857 30.920 17.049 1.00 0.00 H new ATOM 0 HA GLU A 27 13.315 30.458 19.464 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.963 32.701 18.477 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.226 32.525 18.624 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.031 33.853 20.518 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.477 32.305 21.123 1.00 0.00 H new ATOM 422 N ASN A 28 10.107 29.829 19.395 1.00 0.00 N ATOM 423 CA ASN A 28 9.015 29.223 20.139 1.00 0.00 C ATOM 424 C ASN A 28 8.953 27.727 19.864 1.00 0.00 C ATOM 425 O ASN A 28 9.244 27.275 18.757 1.00 0.00 O ATOM 426 CB ASN A 28 7.692 29.861 19.722 1.00 0.00 C ATOM 427 CG ASN A 28 7.835 31.377 19.672 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.536 31.965 20.497 1.00 0.00 O ATOM 429 ND2 ASN A 28 7.212 32.048 18.743 1.00 0.00 N ATOM 0 H ASN A 28 9.897 30.025 18.416 1.00 0.00 H new ATOM 0 HA ASN A 28 9.187 29.386 21.203 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.389 29.484 18.745 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.908 29.585 20.427 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.304 33.063 18.698 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.632 31.558 18.062 1.00 0.00 H new ATOM 436 N GLU A 29 8.556 26.958 20.866 1.00 0.00 N ATOM 437 CA GLU A 29 8.444 25.517 20.696 1.00 0.00 C ATOM 438 C GLU A 29 7.522 25.218 19.524 1.00 0.00 C ATOM 439 O GLU A 29 7.576 24.142 18.927 1.00 0.00 O ATOM 440 CB GLU A 29 7.877 24.884 21.964 1.00 0.00 C ATOM 441 CG GLU A 29 7.916 23.360 21.835 1.00 0.00 C ATOM 442 CD GLU A 29 7.255 22.717 23.049 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.900 23.445 23.960 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 7.119 21.504 23.051 1.00 0.00 O ATOM 0 H GLU A 29 8.309 27.301 21.794 1.00 0.00 H new ATOM 0 HA GLU A 29 9.433 25.101 20.502 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.456 25.201 22.832 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.853 25.220 22.124 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.403 23.051 20.925 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.948 23.020 21.750 1.00 0.00 H new ATOM 451 N GLN A 30 6.671 26.188 19.204 1.00 0.00 N ATOM 452 CA GLN A 30 5.727 26.040 18.104 1.00 0.00 C ATOM 453 C GLN A 30 6.436 25.541 16.852 1.00 0.00 C ATOM 454 O GLN A 30 5.794 25.130 15.886 1.00 0.00 O ATOM 455 CB GLN A 30 5.055 27.381 17.815 1.00 0.00 C ATOM 456 CG GLN A 30 4.255 27.822 19.040 1.00 0.00 C ATOM 457 CD GLN A 30 3.523 29.125 18.741 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.500 29.576 17.597 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.922 29.764 19.709 1.00 0.00 N ATOM 0 H GLN A 30 6.616 27.083 19.690 1.00 0.00 H new ATOM 0 HA GLN A 30 4.971 25.309 18.392 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.806 28.131 17.568 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.397 27.292 16.950 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.539 27.048 19.315 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.922 27.957 19.891 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.942 29.389 20.657 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.433 30.638 19.517 1.00 0.00 H new ATOM 468 N LYS A 31 7.764 25.580 16.880 1.00 0.00 N ATOM 469 CA LYS A 31 8.563 25.128 15.746 1.00 0.00 C ATOM 470 C LYS A 31 8.092 23.756 15.276 1.00 0.00 C ATOM 471 O LYS A 31 8.217 23.408 14.098 1.00 0.00 O ATOM 472 CB LYS A 31 10.032 25.030 16.156 1.00 0.00 C ATOM 473 CG LYS A 31 10.868 24.608 14.948 1.00 0.00 C ATOM 474 CD LYS A 31 12.305 24.343 15.394 1.00 0.00 C ATOM 475 CE LYS A 31 12.331 23.130 16.325 1.00 0.00 C ATOM 476 NZ LYS A 31 12.311 23.589 17.743 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.309 25.919 17.673 1.00 0.00 H new ATOM 0 HA LYS A 31 8.448 25.847 14.935 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.380 25.991 16.536 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.148 24.307 16.963 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.445 23.712 14.494 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.849 25.389 14.188 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.940 24.163 14.526 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.706 25.218 15.906 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.472 22.489 16.127 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.224 22.534 16.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.223 23.370 18.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.148 24.616 17.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.548 23.102 18.255 1.00 0.00 H new ATOM 490 N ASP A 32 7.556 22.973 16.206 1.00 0.00 N ATOM 491 CA ASP A 32 7.079 21.641 15.869 1.00 0.00 C ATOM 492 C ASP A 32 6.015 21.727 14.780 1.00 0.00 C ATOM 493 O ASP A 32 5.879 20.816 13.963 1.00 0.00 O ATOM 494 CB ASP A 32 6.520 20.944 17.117 1.00 0.00 C ATOM 495 CG ASP A 32 5.210 21.591 17.563 1.00 0.00 C ATOM 496 OD1 ASP A 32 4.506 22.112 16.716 1.00 0.00 O ATOM 497 OD2 ASP A 32 4.932 21.555 18.751 1.00 0.00 O1- ATOM 0 H ASP A 32 7.443 23.234 17.185 1.00 0.00 H new ATOM 0 HA ASP A 32 7.915 21.051 15.492 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.355 19.888 16.905 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.250 20.996 17.925 1.00 0.00 H new ATOM 502 N LEU A 33 5.275 22.835 14.757 1.00 0.00 N ATOM 503 CA LEU A 33 4.247 23.023 13.742 1.00 0.00 C ATOM 504 C LEU A 33 4.905 23.076 12.370 1.00 0.00 C ATOM 505 O LEU A 33 4.372 22.559 11.389 1.00 0.00 O ATOM 506 CB LEU A 33 3.474 24.323 13.986 1.00 0.00 C ATOM 507 CG LEU A 33 2.878 24.327 15.396 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.083 25.619 15.601 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.941 23.129 15.563 1.00 0.00 C ATOM 0 H LEU A 33 5.368 23.604 15.421 1.00 0.00 H new ATOM 0 HA LEU A 33 3.547 22.189 13.792 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.138 25.178 13.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.679 24.426 13.247 1.00 0.00 H new ATOM 0 HG LEU A 33 3.681 24.264 16.130 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.656 25.628 16.604 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.745 26.477 15.481 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.281 25.674 14.865 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.518 23.135 16.568 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.136 23.192 14.831 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.500 22.206 15.410 1.00 0.00 H new ATOM 521 N VAL A 34 6.081 23.694 12.317 1.00 0.00 N ATOM 522 CA VAL A 34 6.818 23.798 11.067 1.00 0.00 C ATOM 523 C VAL A 34 7.204 22.408 10.589 1.00 0.00 C ATOM 524 O VAL A 34 7.106 22.097 9.402 1.00 0.00 O ATOM 525 CB VAL A 34 8.067 24.681 11.256 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.324 23.971 10.737 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.883 25.984 10.475 1.00 0.00 C ATOM 0 H VAL A 34 6.539 24.126 13.119 1.00 0.00 H new ATOM 0 HA VAL A 34 6.187 24.266 10.312 1.00 0.00 H new ATOM 0 HB VAL A 34 8.189 24.883 12.320 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.192 24.615 10.882 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.468 23.040 11.284 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.207 23.753 9.675 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.763 26.613 10.605 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.751 25.758 9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.003 26.510 10.846 1.00 0.00 H new ATOM 537 N ALA A 35 7.639 21.573 11.520 1.00 0.00 N ATOM 538 CA ALA A 35 8.031 20.215 11.169 1.00 0.00 C ATOM 539 C ALA A 35 6.850 19.466 10.556 1.00 0.00 C ATOM 540 O ALA A 35 6.991 18.803 9.528 1.00 0.00 O ATOM 541 CB ALA A 35 8.515 19.468 12.413 1.00 0.00 C ATOM 0 H ALA A 35 7.729 21.805 12.509 1.00 0.00 H new ATOM 0 HA ALA A 35 8.841 20.267 10.441 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.805 18.454 12.138 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.373 19.988 12.839 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.712 19.429 13.149 1.00 0.00 H new ATOM 547 N LYS A 36 5.688 19.576 11.193 1.00 0.00 N ATOM 548 CA LYS A 36 4.493 18.900 10.700 1.00 0.00 C ATOM 549 C LYS A 36 4.038 19.493 9.366 1.00 0.00 C ATOM 550 O LYS A 36 3.536 18.776 8.499 1.00 0.00 O ATOM 551 CB LYS A 36 3.362 19.014 11.727 1.00 0.00 C ATOM 552 CG LYS A 36 3.819 18.405 13.055 1.00 0.00 C ATOM 553 CD LYS A 36 2.630 18.327 14.015 1.00 0.00 C ATOM 554 CE LYS A 36 3.113 17.891 15.399 1.00 0.00 C ATOM 555 NZ LYS A 36 3.554 16.469 15.350 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.549 20.121 12.044 1.00 0.00 H new ATOM 0 HA LYS A 36 4.739 17.849 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.088 20.060 11.869 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.473 18.498 11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.232 17.410 12.888 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.613 19.011 13.491 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.138 19.298 14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.891 17.620 13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.937 18.527 15.725 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.312 18.009 16.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.737 16.129 16.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.809 15.889 14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.425 16.395 14.786 1.00 0.00 H new ATOM 569 N LEU A 37 4.211 20.803 9.204 1.00 0.00 N ATOM 570 CA LEU A 37 3.807 21.471 7.968 1.00 0.00 C ATOM 571 C LEU A 37 4.564 20.900 6.776 1.00 0.00 C ATOM 572 O LEU A 37 4.003 20.727 5.696 1.00 0.00 O ATOM 573 CB LEU A 37 4.082 22.975 8.057 1.00 0.00 C ATOM 574 CG LEU A 37 3.565 23.661 6.790 1.00 0.00 C ATOM 575 CD1 LEU A 37 2.039 23.570 6.750 1.00 0.00 C ATOM 576 CD2 LEU A 37 3.988 25.133 6.791 1.00 0.00 C ATOM 0 H LEU A 37 4.624 21.418 9.905 1.00 0.00 H new ATOM 0 HA LEU A 37 2.739 21.303 7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.593 23.394 8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.151 23.155 8.171 1.00 0.00 H new ATOM 0 HG LEU A 37 3.984 23.166 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.669 24.058 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.737 22.523 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.622 24.064 7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.618 25.618 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.571 25.631 7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.076 25.199 6.819 1.00 0.00 H new ATOM 588 N THR A 38 5.843 20.619 6.985 1.00 0.00 N ATOM 589 CA THR A 38 6.679 20.077 5.924 1.00 0.00 C ATOM 590 C THR A 38 7.506 18.907 6.441 1.00 0.00 C ATOM 591 O THR A 38 7.054 18.143 7.294 1.00 0.00 O ATOM 592 CB THR A 38 7.607 21.175 5.395 1.00 0.00 C ATOM 593 OG1 THR A 38 7.126 22.441 5.822 1.00 0.00 O ATOM 594 CG2 THR A 38 7.638 21.127 3.866 1.00 0.00 C ATOM 0 H THR A 38 6.322 20.757 7.875 1.00 0.00 H new ATOM 0 HA THR A 38 6.039 19.719 5.118 1.00 0.00 H new ATOM 0 HB THR A 38 8.615 21.019 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.736 22.813 6.493 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.299 21.909 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.005 20.154 3.540 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.632 21.284 3.477 1.00 0.00 H new ATOM 602 N ASN A 39 8.719 18.775 5.922 1.00 0.00 N ATOM 603 CA ASN A 39 9.604 17.696 6.341 1.00 0.00 C ATOM 604 C ASN A 39 10.245 18.030 7.682 1.00 0.00 C ATOM 605 O ASN A 39 9.775 18.909 8.406 1.00 0.00 O ATOM 606 CB ASN A 39 10.699 17.479 5.296 1.00 0.00 C ATOM 607 CG ASN A 39 10.092 17.458 3.898 1.00 0.00 C ATOM 608 OD1 ASN A 39 10.648 18.046 2.971 1.00 0.00 O ATOM 609 ND2 ASN A 39 8.978 16.811 3.690 1.00 0.00 N ATOM 0 H ASN A 39 9.111 19.397 5.215 1.00 0.00 H new ATOM 0 HA ASN A 39 9.014 16.785 6.442 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.442 18.273 5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.217 16.540 5.490 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.566 16.792 2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.519 16.324 4.460 1.00 0.00 H new ATOM 616 N SER A 40 11.321 17.325 8.004 1.00 0.00 N ATOM 617 CA SER A 40 12.022 17.557 9.260 1.00 0.00 C ATOM 618 C SER A 40 12.866 18.826 9.173 1.00 0.00 C ATOM 619 O SER A 40 13.585 19.167 10.112 1.00 0.00 O ATOM 620 CB SER A 40 12.923 16.364 9.577 1.00 0.00 C ATOM 621 OG SER A 40 12.126 15.197 9.723 1.00 0.00 O ATOM 0 H SER A 40 11.725 16.594 7.419 1.00 0.00 H new ATOM 0 HA SER A 40 11.285 17.678 10.054 1.00 0.00 H new ATOM 0 HB2 SER A 40 13.652 16.223 8.779 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.485 16.551 10.492 1.00 0.00 H new ATOM 0 HG SER A 40 12.702 14.430 9.925 1.00 0.00 H new ATOM 627 N ASP A 41 12.774 19.519 8.039 1.00 0.00 N ATOM 628 CA ASP A 41 13.531 20.747 7.845 1.00 0.00 C ATOM 629 C ASP A 41 13.746 21.438 9.190 1.00 0.00 C ATOM 630 O ASP A 41 12.822 21.535 9.998 1.00 0.00 O ATOM 631 CB ASP A 41 12.780 21.680 6.892 1.00 0.00 C ATOM 632 CG ASP A 41 12.319 20.902 5.661 1.00 0.00 C ATOM 633 OD1 ASP A 41 13.173 20.424 4.931 1.00 0.00 O1- ATOM 634 OD2 ASP A 41 11.119 20.794 5.467 1.00 0.00 O ATOM 0 H ASP A 41 12.187 19.251 7.249 1.00 0.00 H new ATOM 0 HA ASP A 41 14.500 20.504 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.920 22.118 7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.426 22.504 6.591 1.00 0.00 H new ATOM 639 N PRO A 42 14.936 21.903 9.457 1.00 0.00 N ATOM 640 CA PRO A 42 15.256 22.578 10.743 1.00 0.00 C ATOM 641 C PRO A 42 14.699 24.000 10.827 1.00 0.00 C ATOM 642 O PRO A 42 13.524 24.199 11.132 1.00 0.00 O ATOM 643 CB PRO A 42 16.784 22.580 10.778 1.00 0.00 C ATOM 644 CG PRO A 42 17.215 22.541 9.349 1.00 0.00 C ATOM 645 CD PRO A 42 16.108 21.835 8.567 1.00 0.00 C ATOM 0 HA PRO A 42 14.803 22.064 11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 42 17.164 23.471 11.279 1.00 0.00 H new ATOM 0 HB3 PRO A 42 17.165 21.719 11.327 1.00 0.00 H new ATOM 0 HG2 PRO A 42 17.374 23.549 8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.160 22.008 9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 42 15.915 22.330 7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.377 20.803 8.340 1.00 0.00 H new ATOM 653 N ILE A 43 15.555 24.983 10.570 1.00 0.00 N ATOM 654 CA ILE A 43 15.148 26.380 10.636 1.00 0.00 C ATOM 655 C ILE A 43 14.546 26.837 9.310 1.00 0.00 C ATOM 656 O ILE A 43 13.980 27.927 9.221 1.00 0.00 O ATOM 657 CB ILE A 43 16.360 27.253 10.969 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.130 26.639 12.145 1.00 0.00 C ATOM 659 CG2 ILE A 43 15.894 28.660 11.347 1.00 0.00 C ATOM 660 CD1 ILE A 43 16.146 26.093 13.180 1.00 0.00 C ATOM 0 H ILE A 43 16.532 24.838 10.315 1.00 0.00 H new ATOM 0 HA ILE A 43 14.391 26.480 11.414 1.00 0.00 H new ATOM 0 HB ILE A 43 17.011 27.309 10.097 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.778 25.839 11.789 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.773 27.391 12.602 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.760 29.279 11.583 1.00 0.00 H new ATOM 0 HG22 ILE A 43 15.351 29.100 10.511 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.239 28.605 12.216 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.698 25.658 14.013 1.00 0.00 H new ATOM 0 HD12 ILE A 43 15.516 26.904 13.546 1.00 0.00 H new ATOM 0 HD13 ILE A 43 15.521 25.327 12.720 1.00 0.00 H new ATOM 672 N MET A 44 14.684 26.013 8.276 1.00 0.00 N ATOM 673 CA MET A 44 14.162 26.374 6.964 1.00 0.00 C ATOM 674 C MET A 44 12.745 26.924 7.082 1.00 0.00 C ATOM 675 O MET A 44 12.403 27.917 6.444 1.00 0.00 O ATOM 676 CB MET A 44 14.161 25.154 6.039 1.00 0.00 C ATOM 677 CG MET A 44 14.547 25.587 4.622 1.00 0.00 C ATOM 678 SD MET A 44 13.675 24.559 3.414 1.00 0.00 S ATOM 679 CE MET A 44 13.013 25.907 2.401 1.00 0.00 C ATOM 0 H MET A 44 15.146 25.104 8.319 1.00 0.00 H new ATOM 0 HA MET A 44 14.807 27.145 6.543 1.00 0.00 H new ATOM 0 HB2 MET A 44 14.863 24.406 6.406 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.175 24.690 6.033 1.00 0.00 H new ATOM 0 HG2 MET A 44 14.295 26.637 4.470 1.00 0.00 H new ATOM 0 HG3 MET A 44 15.624 25.494 4.483 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.924 25.890 2.439 1.00 0.00 H new ATOM 0 HE2 MET A 44 13.375 26.861 2.784 1.00 0.00 H new ATOM 0 HE3 MET A 44 13.342 25.782 1.369 1.00 0.00 H new ATOM 689 N ASN A 45 11.930 26.285 7.907 1.00 0.00 N ATOM 690 CA ASN A 45 10.555 26.734 8.105 1.00 0.00 C ATOM 691 C ASN A 45 9.824 26.873 6.776 1.00 0.00 C ATOM 692 O ASN A 45 9.038 27.800 6.588 1.00 0.00 O ATOM 693 CB ASN A 45 10.546 28.076 8.838 1.00 0.00 C ATOM 694 CG ASN A 45 11.042 27.895 10.269 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.048 28.848 11.050 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.465 26.726 10.662 1.00 0.00 N ATOM 0 H ASN A 45 12.191 25.460 8.448 1.00 0.00 H new ATOM 0 HA ASN A 45 10.038 25.984 8.704 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.180 28.790 8.313 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.537 28.489 8.844 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.801 26.600 11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.460 25.938 10.015 1.00 0.00 H new ATOM 703 N GLN A 46 10.112 25.967 5.847 1.00 0.00 N ATOM 704 CA GLN A 46 9.499 26.017 4.523 1.00 0.00 C ATOM 705 C GLN A 46 9.436 27.464 4.046 1.00 0.00 C ATOM 706 O GLN A 46 8.368 28.071 3.960 1.00 0.00 O ATOM 707 CB GLN A 46 8.097 25.381 4.499 1.00 0.00 C ATOM 708 CG GLN A 46 7.406 25.484 5.863 1.00 0.00 C ATOM 709 CD GLN A 46 6.831 26.884 6.060 1.00 0.00 C ATOM 710 OE1 GLN A 46 6.292 27.472 5.121 1.00 0.00 O ATOM 711 NE2 GLN A 46 6.908 27.457 7.231 1.00 0.00 N ATOM 0 H GLN A 46 10.762 25.193 5.984 1.00 0.00 H new ATOM 0 HA GLN A 46 10.121 25.431 3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.486 25.875 3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.177 24.333 4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.609 24.743 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.118 25.261 6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.354 26.970 8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.522 28.391 7.368 1.00 0.00 H new ATOM 720 N LEU A 47 10.614 27.998 3.753 1.00 0.00 N ATOM 721 CA LEU A 47 10.742 29.379 3.293 1.00 0.00 C ATOM 722 C LEU A 47 9.837 29.662 2.095 1.00 0.00 C ATOM 723 O LEU A 47 9.183 30.704 2.042 1.00 0.00 O ATOM 724 CB LEU A 47 12.191 29.683 2.902 1.00 0.00 C ATOM 725 CG LEU A 47 13.103 29.501 4.113 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.533 29.886 3.730 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.627 30.407 5.254 1.00 0.00 C ATOM 0 H LEU A 47 11.499 27.496 3.825 1.00 0.00 H new ATOM 0 HA LEU A 47 10.438 30.020 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.506 29.021 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.269 30.703 2.526 1.00 0.00 H new ATOM 0 HG LEU A 47 13.074 28.461 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.188 29.758 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.876 29.248 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.556 30.927 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.278 30.277 6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.658 31.447 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.605 30.142 5.527 1.00 0.00 H new ATOM 739 N ASP A 48 9.824 28.752 1.124 1.00 0.00 N ATOM 740 CA ASP A 48 9.014 28.956 -0.077 1.00 0.00 C ATOM 741 C ASP A 48 7.540 29.138 0.265 1.00 0.00 C ATOM 742 O ASP A 48 6.914 30.102 -0.179 1.00 0.00 O ATOM 743 CB ASP A 48 9.175 27.771 -1.032 1.00 0.00 C ATOM 744 CG ASP A 48 10.596 27.734 -1.582 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.331 28.676 -1.334 1.00 0.00 O ATOM 746 OD2 ASP A 48 10.929 26.768 -2.248 1.00 0.00 O1- ATOM 0 H ASP A 48 10.354 27.881 1.142 1.00 0.00 H new ATOM 0 HA ASP A 48 9.367 29.867 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.954 26.840 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.461 27.854 -1.851 1.00 0.00 H new ATOM 751 N LEU A 49 6.983 28.232 1.066 1.00 0.00 N ATOM 752 CA LEU A 49 5.581 28.355 1.453 1.00 0.00 C ATOM 753 C LEU A 49 5.399 29.536 2.393 1.00 0.00 C ATOM 754 O LEU A 49 4.403 30.256 2.316 1.00 0.00 O ATOM 755 CB LEU A 49 5.082 27.088 2.148 1.00 0.00 C ATOM 756 CG LEU A 49 4.941 25.954 1.133 1.00 0.00 C ATOM 757 CD1 LEU A 49 6.322 25.406 0.781 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.087 24.836 1.739 1.00 0.00 C ATOM 0 H LEU A 49 7.468 27.422 1.452 1.00 0.00 H new ATOM 0 HA LEU A 49 5.001 28.508 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.778 26.798 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.122 27.280 2.626 1.00 0.00 H new ATOM 0 HG LEU A 49 4.462 26.332 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.219 24.598 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.931 26.202 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.804 25.027 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.984 24.025 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.568 24.460 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.101 25.227 1.989 1.00 0.00 H new ATOM 770 N LEU A 50 6.356 29.711 3.300 1.00 0.00 N ATOM 771 CA LEU A 50 6.274 30.795 4.269 1.00 0.00 C ATOM 772 C LEU A 50 6.200 32.138 3.549 1.00 0.00 C ATOM 773 O LEU A 50 5.391 32.993 3.907 1.00 0.00 O ATOM 774 CB LEU A 50 7.502 30.773 5.188 1.00 0.00 C ATOM 775 CG LEU A 50 7.198 31.550 6.474 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.304 31.301 7.502 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.123 33.046 6.172 1.00 0.00 C ATOM 0 H LEU A 50 7.186 29.124 3.383 1.00 0.00 H new ATOM 0 HA LEU A 50 5.374 30.660 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.770 29.744 5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.358 31.215 4.678 1.00 0.00 H new ATOM 0 HG LEU A 50 6.242 31.211 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.084 31.855 8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.358 30.236 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.259 31.634 7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.907 33.592 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.076 33.383 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.332 33.231 5.445 1.00 0.00 H new ATOM 789 N HIS A 51 7.047 32.323 2.537 1.00 0.00 N ATOM 790 CA HIS A 51 7.063 33.571 1.784 1.00 0.00 C ATOM 791 C HIS A 51 5.734 33.816 1.076 1.00 0.00 C ATOM 792 O HIS A 51 5.179 34.910 1.160 1.00 0.00 O ATOM 793 CB HIS A 51 8.202 33.548 0.769 1.00 0.00 C ATOM 794 CG HIS A 51 9.512 33.600 1.504 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.684 34.027 0.901 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.853 33.286 2.797 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.663 33.965 1.823 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.210 33.516 2.996 1.00 0.00 N ATOM 0 H HIS A 51 7.725 31.629 2.223 1.00 0.00 H new ATOM 0 HA HIS A 51 7.219 34.388 2.488 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.147 32.645 0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.118 34.396 0.089 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.170 32.916 3.547 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.689 34.244 1.637 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.744 33.373 3.853 1.00 0.00 H new ATOM 807 N LYS A 52 5.219 32.797 0.383 1.00 0.00 N ATOM 808 CA LYS A 52 3.945 32.952 -0.317 1.00 0.00 C ATOM 809 C LYS A 52 2.867 33.325 0.693 1.00 0.00 C ATOM 810 O LYS A 52 2.085 34.250 0.476 1.00 0.00 O ATOM 811 CB LYS A 52 3.554 31.647 -1.024 1.00 0.00 C ATOM 812 CG LYS A 52 4.551 31.347 -2.146 1.00 0.00 C ATOM 813 CD LYS A 52 4.272 29.955 -2.728 1.00 0.00 C ATOM 814 CE LYS A 52 3.085 30.014 -3.696 1.00 0.00 C ATOM 815 NZ LYS A 52 3.486 29.429 -5.008 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.653 31.878 0.293 1.00 0.00 H new ATOM 0 HA LYS A 52 4.045 33.736 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.540 30.825 -0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.547 31.732 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.470 32.102 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.570 31.394 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.156 29.586 -3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.059 29.252 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.238 29.465 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.761 31.046 -3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.682 29.468 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.282 29.971 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.775 28.439 -4.873 1.00 0.00 H new ATOM 829 N TRP A 53 2.846 32.596 1.804 1.00 0.00 N ATOM 830 CA TRP A 53 1.881 32.835 2.871 1.00 0.00 C ATOM 831 C TRP A 53 2.013 34.258 3.406 1.00 0.00 C ATOM 832 O TRP A 53 1.040 35.010 3.464 1.00 0.00 O ATOM 833 CB TRP A 53 2.170 31.841 3.994 1.00 0.00 C ATOM 834 CG TRP A 53 1.075 31.828 5.007 1.00 0.00 C ATOM 835 CD1 TRP A 53 0.011 30.998 4.983 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.931 32.648 6.202 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.773 31.245 6.094 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.251 32.256 6.874 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.702 33.679 6.763 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.650 32.864 8.065 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.302 34.296 7.960 1.00 0.00 C ATOM 842 CH2 TRP A 53 0.128 33.889 8.609 1.00 0.00 C ATOM 0 H TRP A 53 3.492 31.829 1.989 1.00 0.00 H new ATOM 0 HA TRP A 53 0.868 32.708 2.488 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.291 30.842 3.575 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.112 32.100 4.478 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.194 30.261 4.220 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.633 30.741 6.311 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.608 34.000 6.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.554 32.544 8.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.902 35.088 8.383 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.175 34.367 9.529 1.00 0.00 H new ATOM 853 N LEU A 54 3.225 34.605 3.809 1.00 0.00 N ATOM 854 CA LEU A 54 3.486 35.930 4.357 1.00 0.00 C ATOM 855 C LEU A 54 3.051 37.007 3.364 1.00 0.00 C ATOM 856 O LEU A 54 2.333 37.939 3.723 1.00 0.00 O ATOM 857 CB LEU A 54 4.978 36.081 4.665 1.00 0.00 C ATOM 858 CG LEU A 54 5.218 37.362 5.466 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.793 37.143 6.917 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.704 37.720 5.420 1.00 0.00 C ATOM 0 H LEU A 54 4.040 33.993 3.768 1.00 0.00 H new ATOM 0 HA LEU A 54 2.915 36.048 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.331 35.218 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.549 36.110 3.737 1.00 0.00 H new ATOM 0 HG LEU A 54 4.634 38.175 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.964 38.056 7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.734 36.887 6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.377 36.330 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.876 38.633 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.288 36.907 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.009 37.876 4.385 1.00 0.00 H new ATOM 872 N ASP A 55 3.489 36.876 2.115 1.00 0.00 N ATOM 873 CA ASP A 55 3.135 37.851 1.087 1.00 0.00 C ATOM 874 C ASP A 55 1.620 37.990 0.936 1.00 0.00 C ATOM 875 O ASP A 55 1.105 39.102 0.809 1.00 0.00 O ATOM 876 CB ASP A 55 3.749 37.441 -0.251 1.00 0.00 C ATOM 877 CG ASP A 55 5.263 37.627 -0.210 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.758 38.066 0.816 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.903 37.335 -1.206 1.00 0.00 O1- ATOM 0 H ASP A 55 4.084 36.113 1.792 1.00 0.00 H new ATOM 0 HA ASP A 55 3.532 38.818 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.508 36.400 -0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.322 38.041 -1.055 1.00 0.00 H new ATOM 884 N ARG A 56 0.907 36.867 0.947 1.00 0.00 N ATOM 885 CA ARG A 56 -0.546 36.897 0.809 1.00 0.00 C ATOM 886 C ARG A 56 -1.196 37.635 1.972 1.00 0.00 C ATOM 887 O ARG A 56 -2.249 38.253 1.817 1.00 0.00 O ATOM 888 CB ARG A 56 -1.107 35.475 0.751 1.00 0.00 C ATOM 889 CG ARG A 56 -2.626 35.543 0.567 1.00 0.00 C ATOM 890 CD ARG A 56 -3.196 34.135 0.374 1.00 0.00 C ATOM 891 NE ARG A 56 -3.168 33.397 1.633 1.00 0.00 N ATOM 892 CZ ARG A 56 -2.286 32.425 1.851 1.00 0.00 C ATOM 893 NH1 ARG A 56 -1.404 32.115 0.936 1.00 0.00 N ATOM 894 NH2 ARG A 56 -2.297 31.781 2.985 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.306 35.934 1.049 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.774 37.423 -0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.653 34.925 -0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.863 34.937 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.085 36.013 1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.868 36.163 -0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.220 34.198 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.617 33.602 -0.380 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.841 33.632 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.390 32.619 0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.730 31.369 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.981 32.023 3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.622 31.035 3.155 1.00 0.00 H new ATOM 908 N HIS A 57 -0.577 37.546 3.140 1.00 0.00 N ATOM 909 CA HIS A 57 -1.122 38.191 4.325 1.00 0.00 C ATOM 910 C HIS A 57 -0.273 39.382 4.763 1.00 0.00 C ATOM 911 O HIS A 57 -0.398 39.856 5.891 1.00 0.00 O ATOM 912 CB HIS A 57 -1.215 37.175 5.460 1.00 0.00 C ATOM 913 CG HIS A 57 -2.154 36.069 5.062 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.423 36.325 4.564 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.033 34.702 5.089 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.010 35.138 4.317 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.205 34.115 4.620 1.00 0.00 N ATOM 0 H HIS A 57 0.295 37.039 3.292 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.115 38.567 4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.228 36.768 5.681 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.571 37.660 6.369 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.837 37.245 4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.159 34.163 5.424 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.009 35.027 3.922 1.00 0.00 H new ATOM 926 N ARG A 58 0.574 39.873 3.865 1.00 0.00 N ATOM 927 CA ARG A 58 1.414 41.021 4.181 1.00 0.00 C ATOM 928 C ARG A 58 0.557 42.174 4.689 1.00 0.00 C ATOM 929 O ARG A 58 0.961 42.922 5.580 1.00 0.00 O ATOM 930 CB ARG A 58 2.176 41.464 2.932 1.00 0.00 C ATOM 931 CG ARG A 58 1.176 41.865 1.850 1.00 0.00 C ATOM 932 CD ARG A 58 1.901 41.994 0.513 1.00 0.00 C ATOM 933 NE ARG A 58 2.940 43.013 0.596 1.00 0.00 N ATOM 934 CZ ARG A 58 3.375 43.639 -0.492 1.00 0.00 C ATOM 935 NH1 ARG A 58 2.848 43.364 -1.652 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.321 44.535 -0.399 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.696 39.499 2.924 1.00 0.00 H new ATOM 0 HA ARG A 58 2.124 40.734 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.830 42.303 3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.813 40.655 2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.384 41.119 1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.700 42.810 2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.343 41.036 0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.189 42.254 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 58 3.340 43.249 1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.104 42.670 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.180 43.843 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.727 44.755 0.510 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.653 45.014 -1.236 1.00 0.00 H new ATOM 950 N ASP A 59 -0.632 42.299 4.112 1.00 0.00 N ATOM 951 CA ASP A 59 -1.565 43.355 4.492 1.00 0.00 C ATOM 952 C ASP A 59 -1.915 43.270 5.975 1.00 0.00 C ATOM 953 O ASP A 59 -2.159 44.287 6.624 1.00 0.00 O ATOM 954 CB ASP A 59 -2.843 43.239 3.658 1.00 0.00 C ATOM 955 CG ASP A 59 -2.565 43.658 2.219 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.629 44.412 2.014 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.290 43.219 1.341 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.975 41.680 3.377 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.087 44.317 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.211 42.213 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.624 43.868 4.085 1.00 0.00 H new ATOM 962 N MET A 60 -1.956 42.052 6.504 1.00 0.00 N ATOM 963 CA MET A 60 -2.299 41.849 7.905 1.00 0.00 C ATOM 964 C MET A 60 -1.337 42.585 8.832 1.00 0.00 C ATOM 965 O MET A 60 -1.725 43.022 9.909 1.00 0.00 O ATOM 966 CB MET A 60 -2.296 40.351 8.232 1.00 0.00 C ATOM 967 CG MET A 60 -0.858 39.847 8.391 1.00 0.00 C ATOM 968 SD MET A 60 -0.506 39.569 10.142 1.00 0.00 S ATOM 969 CE MET A 60 -1.364 37.982 10.282 1.00 0.00 C ATOM 0 H MET A 60 -1.757 41.196 5.987 1.00 0.00 H new ATOM 0 HA MET A 60 -3.297 42.257 8.067 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.856 40.171 9.150 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.798 39.797 7.438 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.722 38.922 7.831 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.159 40.575 7.980 1.00 0.00 H new ATOM 0 HE1 MET A 60 -2.073 38.023 11.109 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.899 37.775 9.355 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.637 37.191 10.466 1.00 0.00 H new ATOM 979 N CYS A 61 -0.088 42.716 8.406 1.00 0.00 N ATOM 980 CA CYS A 61 0.929 43.388 9.208 1.00 0.00 C ATOM 981 C CYS A 61 0.525 44.828 9.505 1.00 0.00 C ATOM 982 O CYS A 61 0.963 45.414 10.495 1.00 0.00 O ATOM 983 CB CYS A 61 2.270 43.364 8.470 1.00 0.00 C ATOM 984 SG CYS A 61 2.301 44.672 7.220 1.00 0.00 S ATOM 0 H CYS A 61 0.247 42.366 7.509 1.00 0.00 H new ATOM 0 HA CYS A 61 1.026 42.858 10.155 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.088 43.504 9.177 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.419 42.393 7.998 1.00 0.00 H new ATOM 0 HG CYS A 61 1.535 44.338 6.224 1.00 0.00 H new ATOM 990 N GLU A 62 -0.292 45.394 8.629 1.00 0.00 N ATOM 991 CA GLU A 62 -0.744 46.773 8.781 1.00 0.00 C ATOM 992 C GLU A 62 -1.805 46.907 9.881 1.00 0.00 C ATOM 993 O GLU A 62 -2.142 48.018 10.287 1.00 0.00 O ATOM 994 CB GLU A 62 -1.341 47.259 7.457 1.00 0.00 C ATOM 995 CG GLU A 62 -0.292 47.162 6.350 1.00 0.00 C ATOM 996 CD GLU A 62 -0.853 47.734 5.053 1.00 0.00 C ATOM 997 OE1 GLU A 62 -1.983 48.195 5.072 1.00 0.00 O ATOM 998 OE2 GLU A 62 -0.149 47.698 4.058 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.657 44.920 7.803 1.00 0.00 H new ATOM 0 HA GLU A 62 0.119 47.377 9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.213 46.658 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.683 48.289 7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.606 47.707 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.001 46.122 6.203 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.354 45.781 10.336 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.406 45.806 11.360 1.00 0.00 C ATOM 1007 C LYS A 63 -2.845 45.799 12.785 1.00 0.00 C ATOM 1008 O LYS A 63 -3.536 45.391 13.717 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.320 44.594 11.183 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.947 44.629 9.790 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.785 43.368 9.578 1.00 0.00 C ATOM 1012 CE LYS A 63 -7.073 43.463 10.396 1.00 0.00 C ATOM 1013 NZ LYS A 63 -8.168 42.751 9.678 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.093 44.848 10.018 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.959 46.736 11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.751 43.674 11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.100 44.598 11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.571 45.516 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.168 44.693 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.022 43.250 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.217 42.487 9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.924 43.024 11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.343 44.508 10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.045 42.814 10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.315 43.190 8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.909 41.752 9.553 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.619 46.275 12.962 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.027 46.329 14.300 1.00 0.00 C ATOM 1029 C TRP A 64 0.291 47.095 14.280 1.00 0.00 C ATOM 1030 O TRP A 64 0.610 47.819 15.222 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.812 44.920 14.851 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.092 43.915 13.785 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.398 43.799 12.639 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.125 42.888 13.747 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.917 42.753 11.905 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.992 42.165 12.540 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.151 42.515 14.631 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.847 41.111 12.220 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.014 41.454 14.314 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.863 40.753 13.110 1.00 0.00 C ATOM 0 H TRP A 64 -1.021 46.624 12.213 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.721 46.856 14.954 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.212 44.811 15.207 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.466 44.750 15.706 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.431 44.424 12.342 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.551 42.451 11.002 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.277 43.048 15.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.725 40.575 11.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.799 41.176 15.002 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.530 39.938 12.871 1.00 0.00 H new ATOM 1051 N LYS A 65 1.047 46.932 13.200 1.00 0.00 N ATOM 1052 CA LYS A 65 2.326 47.618 13.061 1.00 0.00 C ATOM 1053 C LYS A 65 3.305 47.213 14.162 1.00 0.00 C ATOM 1054 O LYS A 65 4.477 47.589 14.126 1.00 0.00 O ATOM 1055 CB LYS A 65 2.095 49.129 13.091 1.00 0.00 C ATOM 1056 CG LYS A 65 1.396 49.547 11.800 1.00 0.00 C ATOM 1057 CD LYS A 65 1.160 51.056 11.805 1.00 0.00 C ATOM 1058 CE LYS A 65 0.410 51.447 10.532 1.00 0.00 C ATOM 1059 NZ LYS A 65 0.444 50.309 9.567 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.798 46.334 12.412 1.00 0.00 H new ATOM 0 HA LYS A 65 2.768 47.330 12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.487 49.400 13.954 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.045 49.654 13.193 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.004 49.268 10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.446 49.021 11.703 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.584 51.344 12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.111 51.586 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.622 51.706 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.866 52.331 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.009 50.602 8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.431 50.027 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.083 49.504 9.961 1.00 0.00 H new ATOM 1073 N SER A 66 2.829 46.439 15.130 1.00 0.00 N ATOM 1074 CA SER A 66 3.689 45.988 16.220 1.00 0.00 C ATOM 1075 C SER A 66 4.475 44.757 15.786 1.00 0.00 C ATOM 1076 O SER A 66 4.250 44.219 14.703 1.00 0.00 O ATOM 1077 CB SER A 66 2.855 45.655 17.451 1.00 0.00 C ATOM 1078 OG SER A 66 2.048 44.526 17.169 1.00 0.00 O ATOM 0 H SER A 66 1.864 46.113 15.184 1.00 0.00 H new ATOM 0 HA SER A 66 4.383 46.790 16.470 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.505 45.450 18.302 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.230 46.506 17.724 1.00 0.00 H new ATOM 0 HG SER A 66 1.104 44.789 17.174 1.00 0.00 H new ATOM 1084 N LYS A 67 5.406 44.324 16.625 1.00 0.00 N ATOM 1085 CA LYS A 67 6.224 43.164 16.298 1.00 0.00 C ATOM 1086 C LYS A 67 5.717 41.898 17.001 1.00 0.00 C ATOM 1087 O LYS A 67 5.433 40.881 16.356 1.00 0.00 O ATOM 1088 CB LYS A 67 7.683 43.448 16.698 1.00 0.00 C ATOM 1089 CG LYS A 67 8.592 42.280 16.288 1.00 0.00 C ATOM 1090 CD LYS A 67 8.813 42.291 14.773 1.00 0.00 C ATOM 1091 CE LYS A 67 9.804 41.188 14.391 1.00 0.00 C ATOM 1092 NZ LYS A 67 10.890 41.771 13.560 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.612 44.753 17.527 1.00 0.00 H new ATOM 0 HA LYS A 67 6.160 42.987 15.224 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.024 44.367 16.221 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.747 43.605 17.775 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.549 42.356 16.803 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.141 41.335 16.591 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.866 42.138 14.256 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.195 43.262 14.458 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.222 40.732 15.288 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.293 40.398 13.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.770 41.471 12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.850 42.809 13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.811 41.442 13.912 1.00 0.00 H new ATOM 1106 N GLU A 68 5.634 41.957 18.328 1.00 0.00 N ATOM 1107 CA GLU A 68 5.204 40.804 19.121 1.00 0.00 C ATOM 1108 C GLU A 68 3.754 40.386 18.854 1.00 0.00 C ATOM 1109 O GLU A 68 3.467 39.195 18.723 1.00 0.00 O ATOM 1110 CB GLU A 68 5.357 41.124 20.607 1.00 0.00 C ATOM 1111 CG GLU A 68 5.064 39.870 21.430 1.00 0.00 C ATOM 1112 CD GLU A 68 5.173 40.185 22.918 1.00 0.00 C ATOM 1113 OE1 GLU A 68 5.289 41.352 23.249 1.00 0.00 O ATOM 1114 OE2 GLU A 68 5.146 39.251 23.703 1.00 0.00 O1- ATOM 0 H GLU A 68 5.858 42.787 18.877 1.00 0.00 H new ATOM 0 HA GLU A 68 5.840 39.970 18.825 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.367 41.479 20.812 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.674 41.925 20.890 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.065 39.500 21.201 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.766 39.079 21.165 1.00 0.00 H new ATOM 1121 N ASP A 69 2.838 41.344 18.806 1.00 0.00 N ATOM 1122 CA ASP A 69 1.433 41.007 18.595 1.00 0.00 C ATOM 1123 C ASP A 69 1.239 40.263 17.280 1.00 0.00 C ATOM 1124 O ASP A 69 0.511 39.271 17.216 1.00 0.00 O ATOM 1125 CB ASP A 69 0.579 42.277 18.604 1.00 0.00 C ATOM 1126 CG ASP A 69 0.869 43.084 19.865 1.00 0.00 C ATOM 1127 OD1 ASP A 69 0.424 42.671 20.925 1.00 0.00 O ATOM 1128 OD2 ASP A 69 1.539 44.098 19.757 1.00 0.00 O1- ATOM 0 H ASP A 69 3.034 42.340 18.908 1.00 0.00 H new ATOM 0 HA ASP A 69 1.117 40.354 19.409 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.793 42.877 17.720 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.478 42.016 18.563 1.00 0.00 H new ATOM 1133 N ILE A 70 1.892 40.740 16.230 1.00 0.00 N ATOM 1134 CA ILE A 70 1.766 40.101 14.930 1.00 0.00 C ATOM 1135 C ILE A 70 2.228 38.654 15.012 1.00 0.00 C ATOM 1136 O ILE A 70 1.595 37.759 14.450 1.00 0.00 O ATOM 1137 CB ILE A 70 2.600 40.845 13.888 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.248 42.329 13.937 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.278 40.296 12.496 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.038 43.079 12.864 1.00 0.00 C ATOM 0 H ILE A 70 2.505 41.555 16.251 1.00 0.00 H new ATOM 0 HA ILE A 70 0.718 40.129 14.632 1.00 0.00 H new ATOM 0 HB ILE A 70 3.661 40.709 14.098 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.178 42.465 13.777 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.477 42.735 14.922 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.871 40.825 11.750 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.515 39.233 12.461 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.218 40.439 12.285 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.785 44.139 12.900 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.106 42.954 13.044 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.787 42.680 11.881 1.00 0.00 H new ATOM 1152 N LEU A 71 3.333 38.433 15.719 1.00 0.00 N ATOM 1153 CA LEU A 71 3.867 37.088 15.873 1.00 0.00 C ATOM 1154 C LEU A 71 2.828 36.161 16.501 1.00 0.00 C ATOM 1155 O LEU A 71 2.709 34.999 16.115 1.00 0.00 O ATOM 1156 CB LEU A 71 5.121 37.126 16.749 1.00 0.00 C ATOM 1157 CG LEU A 71 6.259 37.841 16.009 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.412 38.098 16.981 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.765 36.963 14.860 1.00 0.00 C ATOM 0 H LEU A 71 3.870 39.162 16.189 1.00 0.00 H new ATOM 0 HA LEU A 71 4.123 36.703 14.886 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.905 37.641 17.685 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.425 36.111 17.007 1.00 0.00 H new ATOM 0 HG LEU A 71 5.888 38.785 15.610 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.222 38.606 16.458 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.063 38.723 17.803 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.774 37.148 17.376 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.573 37.476 14.338 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.133 36.018 15.259 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.949 36.769 14.164 1.00 0.00 H new ATOM 1171 N HIS A 72 2.078 36.683 17.464 1.00 0.00 N ATOM 1172 CA HIS A 72 1.049 35.888 18.134 1.00 0.00 C ATOM 1173 C HIS A 72 -0.041 35.453 17.148 1.00 0.00 C ATOM 1174 O HIS A 72 -0.512 34.318 17.194 1.00 0.00 O ATOM 1175 CB HIS A 72 0.411 36.688 19.274 1.00 0.00 C ATOM 1176 CG HIS A 72 1.225 36.537 20.534 1.00 0.00 C ATOM 1177 ND1 HIS A 72 1.438 35.307 21.137 1.00 0.00 N ATOM 1178 CD2 HIS A 72 1.855 37.460 21.332 1.00 0.00 C ATOM 1179 CE1 HIS A 72 2.165 35.523 22.252 1.00 0.00 C ATOM 1180 NE2 HIS A 72 2.444 36.819 22.416 1.00 0.00 N ATOM 0 H HIS A 72 2.159 37.643 17.798 1.00 0.00 H new ATOM 0 HA HIS A 72 1.531 34.999 18.540 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.346 37.740 18.998 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.608 36.341 19.446 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.888 38.523 21.146 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.483 34.744 22.929 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.975 37.247 23.174 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.434 36.358 16.252 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.467 36.023 15.265 1.00 0.00 C ATOM 1191 C LYS A 73 -0.989 34.873 14.386 1.00 0.00 C ATOM 1192 O LYS A 73 -1.717 33.908 14.162 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.812 37.231 14.383 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.797 38.162 15.106 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.421 38.295 16.582 1.00 0.00 C ATOM 1196 CE LYS A 73 -2.987 39.602 17.136 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.007 39.539 18.624 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.065 37.307 16.186 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.365 35.727 15.807 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.903 37.778 14.133 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.247 36.890 13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.792 39.144 14.633 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.810 37.770 15.016 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.813 37.449 17.146 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.337 38.279 16.695 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.379 40.444 16.804 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.995 39.766 16.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.392 40.427 19.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.604 38.744 18.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.039 39.401 18.979 1.00 0.00 H new ATOM 1211 N LEU A 74 0.239 34.990 13.883 1.00 0.00 N ATOM 1212 CA LEU A 74 0.797 33.949 13.025 1.00 0.00 C ATOM 1213 C LEU A 74 0.756 32.594 13.719 1.00 0.00 C ATOM 1214 O LEU A 74 0.429 31.584 13.098 1.00 0.00 O ATOM 1215 CB LEU A 74 2.244 34.281 12.649 1.00 0.00 C ATOM 1216 CG LEU A 74 2.267 35.267 11.481 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.915 36.671 11.970 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.667 35.276 10.863 1.00 0.00 C ATOM 0 H LEU A 74 0.858 35.783 14.052 1.00 0.00 H new ATOM 0 HA LEU A 74 0.190 33.904 12.121 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.763 34.709 13.507 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.776 33.369 12.377 1.00 0.00 H new ATOM 0 HG LEU A 74 1.533 34.960 10.735 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.935 37.365 11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.918 36.663 12.411 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.641 36.988 12.719 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.692 35.977 10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.395 35.581 11.615 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.913 34.276 10.504 1.00 0.00 H new ATOM 1230 N ASN A 75 1.090 32.570 15.004 1.00 0.00 N ATOM 1231 CA ASN A 75 1.083 31.316 15.745 1.00 0.00 C ATOM 1232 C ASN A 75 -0.298 30.671 15.689 1.00 0.00 C ATOM 1233 O ASN A 75 -0.423 29.467 15.470 1.00 0.00 O ATOM 1234 CB ASN A 75 1.460 31.569 17.207 1.00 0.00 C ATOM 1235 CG ASN A 75 2.862 32.163 17.294 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.627 32.097 16.334 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.245 32.745 18.398 1.00 0.00 N ATOM 0 H ASN A 75 1.364 33.389 15.546 1.00 0.00 H new ATOM 0 HA ASN A 75 1.811 30.645 15.289 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.740 32.249 17.663 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.417 30.635 17.768 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.180 33.146 18.465 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.609 32.799 19.193 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.331 31.484 15.893 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.701 30.979 15.873 1.00 0.00 C ATOM 1246 C GLU A 76 -3.123 30.569 14.465 1.00 0.00 C ATOM 1247 O GLU A 76 -3.772 29.539 14.283 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.661 32.035 16.416 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.401 32.229 17.911 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.437 33.175 18.507 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.067 33.889 17.744 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -4.591 33.165 19.718 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.248 32.485 16.072 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.739 30.095 16.509 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.523 32.977 15.885 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.693 31.725 16.251 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.440 31.267 18.422 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.400 32.631 18.064 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.753 31.364 13.467 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.111 31.032 12.095 1.00 0.00 C ATOM 1261 C GLN A 77 -2.364 29.774 11.672 1.00 0.00 C ATOM 1262 O GLN A 77 -2.923 28.890 11.029 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.766 32.193 11.157 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.656 33.396 11.480 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.309 34.562 10.562 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.425 34.444 9.713 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -3.955 35.690 10.682 1.00 0.00 N ATOM 0 H GLN A 77 -2.217 32.225 13.578 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.185 30.854 12.037 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.716 32.464 11.268 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.909 31.890 10.120 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.705 33.126 11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.521 33.689 12.521 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.687 35.786 11.386 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.728 36.475 10.072 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.099 29.691 12.061 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.297 28.523 11.739 1.00 0.00 C ATOM 1278 C TRP A 78 -0.972 27.277 12.303 1.00 0.00 C ATOM 1279 O TRP A 78 -1.011 26.227 11.660 1.00 0.00 O ATOM 1280 CB TRP A 78 1.099 28.666 12.340 1.00 0.00 C ATOM 1281 CG TRP A 78 2.091 27.944 11.491 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.010 26.643 11.125 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.317 28.461 10.907 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.110 26.334 10.344 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.947 27.423 10.185 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.937 29.725 10.934 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.153 27.627 9.513 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 5.152 29.935 10.258 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.758 28.888 9.552 1.00 0.00 C ATOM 0 H TRP A 78 -0.612 30.411 12.594 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.209 28.434 10.656 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.367 29.720 12.413 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.112 28.263 13.353 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.219 25.960 11.397 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.282 25.415 9.936 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.477 30.537 11.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.616 26.818 8.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.620 30.908 10.283 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.693 29.054 9.037 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.499 27.414 13.518 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.177 26.312 14.186 1.00 0.00 C ATOM 1302 C ASN A 79 -3.387 25.866 13.377 1.00 0.00 C ATOM 1303 O ASN A 79 -3.653 24.672 13.242 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.637 26.758 15.574 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.445 27.245 16.390 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.312 26.830 16.144 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -1.631 28.108 17.352 1.00 0.00 N ATOM 0 H ASN A 79 -1.468 28.279 14.058 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.481 25.478 14.277 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.375 27.555 15.482 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.125 25.930 16.087 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.837 28.439 17.901 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.570 28.451 17.555 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.117 26.839 12.842 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.301 26.544 12.046 1.00 0.00 C ATOM 1316 C LYS A 80 -4.911 26.282 10.596 1.00 0.00 C ATOM 1317 O LYS A 80 -5.745 25.906 9.773 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.282 27.719 12.115 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.619 28.036 13.578 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.343 26.847 14.217 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.950 27.278 15.553 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.123 26.415 15.868 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.911 27.833 12.945 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.780 25.652 12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.847 28.596 11.635 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.193 27.476 11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.706 28.256 14.131 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.246 28.926 13.631 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.125 26.483 13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.646 26.023 14.371 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.205 27.200 16.345 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.256 28.323 15.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.536 26.708 16.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.836 26.511 15.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.817 25.423 15.931 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.630 26.473 10.299 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.125 26.244 8.949 1.00 0.00 C ATOM 1338 C ASP A 81 -3.959 27.001 7.922 1.00 0.00 C ATOM 1339 O ASP A 81 -3.464 27.982 7.393 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.159 24.748 8.639 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.246 23.999 9.603 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -1.355 24.627 10.153 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -2.452 22.810 9.781 1.00 0.00 O ATOM 1344 OXT ASP A 81 -5.081 26.587 7.678 1.00 0.00 O ATOM 0 H ASP A 81 -2.926 26.784 10.969 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.099 26.609 8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.179 24.373 8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.840 24.573 7.612 1.00 0.00 H new TER 1349 ASP A 81