USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 600 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 41 CYS SG : rot 84:sc= -7.49! USER MOD Set 1.2: A 58 TYR OH : rot 11:sc= -1.56! USER MOD Set 2.1: A 43 LYS NZ :NH3+ 130:sc= 0.131 (180deg=-0.00356) USER MOD Set 2.2: A 45 THR OG1 : rot -140:sc= -1.95 USER MOD Set 3.1: A 13 GLN : amide:sc= 0 X(o=0,f=0.045) USER MOD Set 3.2: A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot -73:sc= -0.738! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -4.85! K(o=-4.9!,f=-2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.443 K(o=-0.44,f=-1) USER MOD Single : A 33 THR OG1 : rot -140:sc= -1.38 USER MOD Single : A 35 ASN : amide:sc= -4.66! C(o=-4.7!,f=-8.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= 0.0882 (180deg=-0.286) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -3.32! C(o=-3.3!,f=-6.2!) USER MOD Single : A 61 TYR OH : rot 180:sc= -3.76! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -79:sc= 0.229 USER MOD Single : A 67 LYS NZ :NH3+ -154:sc= -10.1! (180deg=-12.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -1.81 K(o=-1.8,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.284 8.507 -3.923 1.00 0.00 N ATOM 11 CA GLU A 2 -8.528 8.862 -5.158 1.00 0.00 C ATOM 12 C GLU A 2 -7.075 8.382 -5.035 1.00 0.00 C ATOM 13 O GLU A 2 -6.820 7.209 -4.859 1.00 0.00 O ATOM 14 CB GLU A 2 -8.606 10.389 -5.241 1.00 0.00 C ATOM 15 CG GLU A 2 -10.035 10.845 -4.941 1.00 0.00 C ATOM 16 CD GLU A 2 -10.309 12.171 -5.655 1.00 0.00 C ATOM 17 OE1 GLU A 2 -10.413 12.157 -6.870 1.00 0.00 O ATOM 18 OE2 GLU A 2 -10.411 13.178 -4.973 1.00 0.00 O ATOM 0 HA GLU A 2 -8.935 8.394 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.913 10.838 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.307 10.725 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.746 10.088 -5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.172 10.964 -3.866 1.00 0.00 H new ATOM 25 N TRP A 3 -6.119 9.269 -5.123 1.00 0.00 N ATOM 26 CA TRP A 3 -4.698 8.836 -5.003 1.00 0.00 C ATOM 27 C TRP A 3 -4.043 9.514 -3.796 1.00 0.00 C ATOM 28 O TRP A 3 -4.605 10.409 -3.198 1.00 0.00 O ATOM 29 CB TRP A 3 -4.032 9.291 -6.302 1.00 0.00 C ATOM 30 CG TRP A 3 -4.018 10.785 -6.355 1.00 0.00 C ATOM 31 CD1 TRP A 3 -5.054 11.558 -6.756 1.00 0.00 C ATOM 32 CD2 TRP A 3 -2.937 11.698 -6.003 1.00 0.00 C ATOM 33 NE1 TRP A 3 -4.678 12.886 -6.672 1.00 0.00 N ATOM 34 CE2 TRP A 3 -3.383 13.025 -6.214 1.00 0.00 C ATOM 35 CE3 TRP A 3 -1.628 11.506 -5.527 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -2.558 14.121 -5.960 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -0.796 12.607 -5.271 1.00 0.00 C ATOM 38 CH2 TRP A 3 -1.260 13.913 -5.487 1.00 0.00 C ATOM 0 H TRP A 3 -6.260 10.268 -5.272 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.604 7.760 -4.855 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.014 8.904 -6.357 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.572 8.891 -7.160 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.016 11.197 -7.087 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.284 13.668 -6.919 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.260 10.505 -5.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -2.921 15.124 -6.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 0.208 12.448 -4.905 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -0.615 14.756 -5.288 1.00 0.00 H new ATOM 49 N GLU A 4 -2.863 9.094 -3.430 1.00 0.00 N ATOM 50 CA GLU A 4 -2.185 9.721 -2.258 1.00 0.00 C ATOM 51 C GLU A 4 -0.867 9.000 -1.954 1.00 0.00 C ATOM 52 O GLU A 4 -0.850 7.840 -1.591 1.00 0.00 O ATOM 53 CB GLU A 4 -3.178 9.554 -1.105 1.00 0.00 C ATOM 54 CG GLU A 4 -2.448 9.668 0.235 1.00 0.00 C ATOM 55 CD GLU A 4 -3.198 10.643 1.144 1.00 0.00 C ATOM 56 OE1 GLU A 4 -4.394 10.468 1.309 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.562 11.548 1.660 1.00 0.00 O ATOM 0 H GLU A 4 -2.340 8.348 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.931 10.767 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.956 10.315 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.673 8.586 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.382 8.689 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.427 10.014 0.076 1.00 0.00 H new ATOM 64 N ILE A 5 0.237 9.680 -2.099 1.00 0.00 N ATOM 65 CA ILE A 5 1.549 9.048 -1.823 1.00 0.00 C ATOM 66 C ILE A 5 1.852 9.091 -0.320 1.00 0.00 C ATOM 67 O ILE A 5 1.041 9.529 0.471 1.00 0.00 O ATOM 68 CB ILE A 5 2.547 9.897 -2.603 1.00 0.00 C ATOM 69 CG1 ILE A 5 2.756 11.234 -1.887 1.00 0.00 C ATOM 70 CG2 ILE A 5 2.014 10.153 -4.014 1.00 0.00 C ATOM 71 CD1 ILE A 5 3.837 12.038 -2.611 1.00 0.00 C ATOM 0 H ILE A 5 0.282 10.654 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 5 1.583 7.999 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 5 3.497 9.366 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.823 11.797 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.048 11.062 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.730 10.760 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.870 9.202 -4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.062 10.680 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.985 12.990 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.771 11.476 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.526 12.222 -3.639 1.00 0.00 H new ATOM 83 N ILE A 6 3.008 8.631 0.083 1.00 0.00 N ATOM 84 CA ILE A 6 3.340 8.642 1.543 1.00 0.00 C ATOM 85 C ILE A 6 4.541 9.561 1.816 1.00 0.00 C ATOM 86 O ILE A 6 4.914 10.367 0.987 1.00 0.00 O ATOM 87 CB ILE A 6 3.641 7.175 1.909 1.00 0.00 C ATOM 88 CG1 ILE A 6 5.130 6.859 1.709 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.805 6.241 1.028 1.00 0.00 C ATOM 90 CD1 ILE A 6 5.553 7.208 0.282 1.00 0.00 C ATOM 0 H ILE A 6 3.732 8.251 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 6 2.523 9.033 2.149 1.00 0.00 H new ATOM 0 HB ILE A 6 3.386 7.024 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.729 7.424 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.315 5.803 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.020 5.205 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.746 6.443 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.054 6.410 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.611 6.980 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.965 6.623 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.385 8.270 0.102 1.00 0.00 H new ATOM 102 N ASP A 7 5.145 9.457 2.974 1.00 0.00 N ATOM 103 CA ASP A 7 6.310 10.343 3.280 1.00 0.00 C ATOM 104 C ASP A 7 7.447 9.563 3.952 1.00 0.00 C ATOM 105 O ASP A 7 7.968 9.970 4.970 1.00 0.00 O ATOM 106 CB ASP A 7 5.757 11.406 4.230 1.00 0.00 C ATOM 107 CG ASP A 7 5.046 12.493 3.422 1.00 0.00 C ATOM 108 OD1 ASP A 7 5.551 12.847 2.371 1.00 0.00 O ATOM 109 OD2 ASP A 7 4.008 12.952 3.871 1.00 0.00 O ATOM 0 H ASP A 7 4.885 8.804 3.713 1.00 0.00 H new ATOM 0 HA ASP A 7 6.734 10.774 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.063 10.951 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.567 11.843 4.814 1.00 0.00 H new ATOM 114 N ILE A 8 7.832 8.453 3.382 1.00 0.00 N ATOM 115 CA ILE A 8 8.939 7.638 3.965 1.00 0.00 C ATOM 116 C ILE A 8 8.826 7.619 5.484 1.00 0.00 C ATOM 117 O ILE A 8 9.798 7.750 6.200 1.00 0.00 O ATOM 118 CB ILE A 8 10.233 8.324 3.517 1.00 0.00 C ATOM 119 CG1 ILE A 8 11.426 7.435 3.878 1.00 0.00 C ATOM 120 CG2 ILE A 8 10.379 9.677 4.215 1.00 0.00 C ATOM 121 CD1 ILE A 8 12.663 7.904 3.108 1.00 0.00 C ATOM 0 H ILE A 8 7.423 8.072 2.529 1.00 0.00 H new ATOM 0 HA ILE A 8 8.908 6.600 3.633 1.00 0.00 H new ATOM 0 HB ILE A 8 10.200 8.482 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.614 7.478 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.205 6.396 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.302 10.157 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.531 10.312 3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.408 9.528 5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.513 7.271 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.472 7.838 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.887 8.937 3.373 1.00 0.00 H new ATOM 133 N GLY A 9 7.634 7.457 5.974 1.00 0.00 N ATOM 134 CA GLY A 9 7.435 7.429 7.452 1.00 0.00 C ATOM 135 C GLY A 9 6.311 6.456 7.837 1.00 0.00 C ATOM 136 O GLY A 9 6.556 5.431 8.451 1.00 0.00 O ATOM 0 H GLY A 9 6.786 7.342 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.362 7.132 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.193 8.430 7.809 1.00 0.00 H new ATOM 140 N PRO A 10 5.112 6.813 7.477 1.00 0.00 N ATOM 141 CA PRO A 10 3.936 5.977 7.817 1.00 0.00 C ATOM 142 C PRO A 10 3.880 4.714 6.953 1.00 0.00 C ATOM 143 O PRO A 10 4.316 3.656 7.361 1.00 0.00 O ATOM 144 CB PRO A 10 2.752 6.895 7.531 1.00 0.00 C ATOM 145 CG PRO A 10 3.251 7.886 6.526 1.00 0.00 C ATOM 146 CD PRO A 10 4.743 8.009 6.716 1.00 0.00 C ATOM 0 HA PRO A 10 3.956 5.619 8.846 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.904 6.332 7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.413 7.393 8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.019 7.556 5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.765 8.852 6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.264 8.048 5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.001 8.920 7.257 1.00 0.00 H new ATOM 154 N PHE A 11 3.332 4.812 5.774 1.00 0.00 N ATOM 155 CA PHE A 11 3.230 3.613 4.892 1.00 0.00 C ATOM 156 C PHE A 11 4.499 2.758 4.978 1.00 0.00 C ATOM 157 O PHE A 11 4.448 1.549 4.860 1.00 0.00 O ATOM 158 CB PHE A 11 3.043 4.173 3.489 1.00 0.00 C ATOM 159 CG PHE A 11 1.577 4.465 3.267 1.00 0.00 C ATOM 160 CD1 PHE A 11 0.715 3.445 2.847 1.00 0.00 C ATOM 161 CD2 PHE A 11 1.081 5.756 3.481 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.643 3.716 2.641 1.00 0.00 C ATOM 163 CE2 PHE A 11 -0.277 6.027 3.276 1.00 0.00 C ATOM 164 CZ PHE A 11 -1.139 5.007 2.856 1.00 0.00 C ATOM 0 H PHE A 11 2.949 5.672 5.381 1.00 0.00 H new ATOM 0 HA PHE A 11 2.407 2.960 5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.631 5.082 3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.401 3.459 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.098 2.449 2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.746 6.543 3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.308 2.929 2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.660 7.023 3.442 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.187 5.216 2.698 1.00 0.00 H new ATOM 174 N THR A 12 5.634 3.361 5.206 1.00 0.00 N ATOM 175 CA THR A 12 6.878 2.563 5.322 1.00 0.00 C ATOM 176 C THR A 12 6.675 1.523 6.410 1.00 0.00 C ATOM 177 O THR A 12 6.794 0.334 6.191 1.00 0.00 O ATOM 178 CB THR A 12 7.956 3.557 5.743 1.00 0.00 C ATOM 179 OG1 THR A 12 7.815 3.853 7.122 1.00 0.00 O ATOM 180 CG2 THR A 12 7.837 4.845 4.928 1.00 0.00 C ATOM 0 H THR A 12 5.749 4.368 5.316 1.00 0.00 H new ATOM 0 HA THR A 12 7.147 2.052 4.397 1.00 0.00 H new ATOM 0 HB THR A 12 8.935 3.114 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.032 4.427 7.255 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.612 5.545 5.239 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.957 4.618 3.869 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.857 5.292 5.095 1.00 0.00 H new ATOM 188 N GLN A 13 6.349 1.975 7.584 1.00 0.00 N ATOM 189 CA GLN A 13 6.112 1.020 8.702 1.00 0.00 C ATOM 190 C GLN A 13 5.011 0.036 8.305 1.00 0.00 C ATOM 191 O GLN A 13 4.858 -1.022 8.885 1.00 0.00 O ATOM 192 CB GLN A 13 5.671 1.884 9.885 1.00 0.00 C ATOM 193 CG GLN A 13 4.246 2.386 9.649 1.00 0.00 C ATOM 194 CD GLN A 13 3.318 1.811 10.722 1.00 0.00 C ATOM 195 OE1 GLN A 13 2.438 1.029 10.425 1.00 0.00 O ATOM 196 NE2 GLN A 13 3.480 2.170 11.966 1.00 0.00 N ATOM 0 H GLN A 13 6.236 2.961 7.820 1.00 0.00 H new ATOM 0 HA GLN A 13 6.997 0.434 8.949 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.716 1.305 10.808 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.350 2.728 10.005 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.223 3.475 9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.903 2.087 8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.219 2.827 12.215 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.867 1.794 12.689 1.00 0.00 H new ATOM 205 N ASN A 14 4.251 0.382 7.306 1.00 0.00 N ATOM 206 CA ASN A 14 3.155 -0.516 6.842 1.00 0.00 C ATOM 207 C ASN A 14 3.722 -1.621 5.965 1.00 0.00 C ATOM 208 O ASN A 14 3.606 -2.794 6.265 1.00 0.00 O ATOM 209 CB ASN A 14 2.222 0.382 6.030 1.00 0.00 C ATOM 210 CG ASN A 14 0.871 0.491 6.741 1.00 0.00 C ATOM 211 OD1 ASN A 14 0.765 1.126 7.772 1.00 0.00 O ATOM 212 ND2 ASN A 14 -0.171 -0.104 6.230 1.00 0.00 N ATOM 0 H ASN A 14 4.341 1.255 6.786 1.00 0.00 H new ATOM 0 HA ASN A 14 2.637 -0.998 7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.664 1.371 5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.086 -0.027 5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.076 -0.037 6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.081 -0.637 5.365 1.00 0.00 H new ATOM 219 N LEU A 15 4.332 -1.250 4.883 1.00 0.00 N ATOM 220 CA LEU A 15 4.919 -2.267 3.967 1.00 0.00 C ATOM 221 C LEU A 15 5.608 -3.361 4.786 1.00 0.00 C ATOM 222 O LEU A 15 5.654 -4.507 4.394 1.00 0.00 O ATOM 223 CB LEU A 15 5.926 -1.495 3.102 1.00 0.00 C ATOM 224 CG LEU A 15 7.261 -1.354 3.838 1.00 0.00 C ATOM 225 CD1 LEU A 15 8.134 -2.574 3.544 1.00 0.00 C ATOM 226 CD2 LEU A 15 7.975 -0.089 3.358 1.00 0.00 C ATOM 0 H LEU A 15 4.452 -0.281 4.588 1.00 0.00 H new ATOM 0 HA LEU A 15 4.170 -2.762 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.078 -2.016 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.529 -0.508 2.863 1.00 0.00 H new ATOM 0 HG LEU A 15 7.081 -1.285 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.085 -2.475 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.625 -3.476 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.315 -2.642 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.926 0.013 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.157 -0.158 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.352 0.781 3.565 1.00 0.00 H new ATOM 238 N GLY A 16 6.127 -3.015 5.933 1.00 0.00 N ATOM 239 CA GLY A 16 6.794 -4.038 6.784 1.00 0.00 C ATOM 240 C GLY A 16 5.724 -4.948 7.390 1.00 0.00 C ATOM 241 O GLY A 16 5.816 -6.158 7.331 1.00 0.00 O ATOM 0 H GLY A 16 6.117 -2.070 6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.496 -4.624 6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.370 -3.555 7.573 1.00 0.00 H new ATOM 245 N LYS A 17 4.704 -4.370 7.966 1.00 0.00 N ATOM 246 CA LYS A 17 3.620 -5.194 8.570 1.00 0.00 C ATOM 247 C LYS A 17 2.788 -5.855 7.475 1.00 0.00 C ATOM 248 O LYS A 17 2.821 -7.056 7.286 1.00 0.00 O ATOM 249 CB LYS A 17 2.769 -4.203 9.363 1.00 0.00 C ATOM 250 CG LYS A 17 2.466 -4.783 10.746 1.00 0.00 C ATOM 251 CD LYS A 17 3.762 -4.898 11.549 1.00 0.00 C ATOM 252 CE LYS A 17 3.456 -5.471 12.934 1.00 0.00 C ATOM 253 NZ LYS A 17 4.597 -5.042 13.789 1.00 0.00 N ATOM 0 H LYS A 17 4.576 -3.361 8.044 1.00 0.00 H new ATOM 0 HA LYS A 17 4.010 -5.994 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.295 -3.254 9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.840 -3.998 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.756 -4.144 11.272 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.000 -5.763 10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.470 -5.541 11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.231 -3.919 11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.510 -5.090 13.318 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.373 -6.557 12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.459 -5.398 14.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.483 -5.425 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.647 -4.003 13.806 1.00 0.00 H new ATOM 267 N PHE A 18 2.045 -5.071 6.759 1.00 0.00 N ATOM 268 CA PHE A 18 1.193 -5.621 5.662 1.00 0.00 C ATOM 269 C PHE A 18 1.932 -6.716 4.905 1.00 0.00 C ATOM 270 O PHE A 18 1.524 -7.861 4.886 1.00 0.00 O ATOM 271 CB PHE A 18 0.913 -4.430 4.745 1.00 0.00 C ATOM 272 CG PHE A 18 -0.476 -3.903 5.014 1.00 0.00 C ATOM 273 CD1 PHE A 18 -0.823 -3.465 6.298 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.418 -3.853 3.979 1.00 0.00 C ATOM 275 CE1 PHE A 18 -2.110 -2.977 6.548 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.706 -3.365 4.229 1.00 0.00 C ATOM 277 CZ PHE A 18 -3.053 -2.927 5.513 1.00 0.00 C ATOM 0 H PHE A 18 1.986 -4.060 6.883 1.00 0.00 H new ATOM 0 HA PHE A 18 0.276 -6.071 6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.650 -3.645 4.915 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.003 -4.732 3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.096 -3.504 7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.151 -4.191 2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.377 -2.639 7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.433 -3.326 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.047 -2.551 5.705 1.00 0.00 H new ATOM 287 N ALA A 19 3.013 -6.371 4.283 1.00 0.00 N ATOM 288 CA ALA A 19 3.792 -7.386 3.521 1.00 0.00 C ATOM 289 C ALA A 19 3.893 -8.675 4.335 1.00 0.00 C ATOM 290 O ALA A 19 3.259 -9.657 4.028 1.00 0.00 O ATOM 291 CB ALA A 19 5.174 -6.767 3.320 1.00 0.00 C ATOM 0 H ALA A 19 3.398 -5.426 4.266 1.00 0.00 H new ATOM 0 HA ALA A 19 3.325 -7.639 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.806 -7.460 2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.078 -5.836 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.626 -6.563 4.291 1.00 0.00 H new ATOM 297 N VAL A 20 4.678 -8.672 5.377 1.00 0.00 N ATOM 298 CA VAL A 20 4.815 -9.901 6.215 1.00 0.00 C ATOM 299 C VAL A 20 3.465 -10.613 6.360 1.00 0.00 C ATOM 300 O VAL A 20 3.409 -11.810 6.549 1.00 0.00 O ATOM 301 CB VAL A 20 5.316 -9.396 7.569 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.073 -10.459 8.643 1.00 0.00 C ATOM 303 CG2 VAL A 20 6.814 -9.101 7.478 1.00 0.00 C ATOM 0 H VAL A 20 5.231 -7.873 5.686 1.00 0.00 H new ATOM 0 HA VAL A 20 5.496 -10.628 5.773 1.00 0.00 H new ATOM 0 HB VAL A 20 4.777 -8.487 7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.432 -10.093 9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.006 -10.671 8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.608 -11.371 8.379 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.173 -8.741 8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.349 -10.012 7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.989 -8.340 6.718 1.00 0.00 H new ATOM 313 N ASP A 21 2.377 -9.896 6.264 1.00 0.00 N ATOM 314 CA ASP A 21 1.044 -10.553 6.386 1.00 0.00 C ATOM 315 C ASP A 21 0.493 -10.894 5.001 1.00 0.00 C ATOM 316 O ASP A 21 0.428 -12.047 4.625 1.00 0.00 O ATOM 317 CB ASP A 21 0.152 -9.527 7.086 1.00 0.00 C ATOM 318 CG ASP A 21 0.826 -9.061 8.378 1.00 0.00 C ATOM 319 OD1 ASP A 21 1.870 -9.599 8.705 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.286 -8.175 9.018 1.00 0.00 O ATOM 0 H ASP A 21 2.354 -8.888 6.107 1.00 0.00 H new ATOM 0 HA ASP A 21 1.096 -11.488 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.026 -8.676 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.820 -9.967 7.309 1.00 0.00 H new ATOM 325 N GLU A 22 0.097 -9.916 4.230 1.00 0.00 N ATOM 326 CA GLU A 22 -0.440 -10.246 2.877 1.00 0.00 C ATOM 327 C GLU A 22 0.620 -11.013 2.094 1.00 0.00 C ATOM 328 O GLU A 22 0.313 -11.818 1.244 1.00 0.00 O ATOM 329 CB GLU A 22 -0.796 -8.909 2.210 1.00 0.00 C ATOM 330 CG GLU A 22 -1.491 -7.996 3.225 1.00 0.00 C ATOM 331 CD GLU A 22 -2.875 -7.609 2.701 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.426 -8.369 1.923 1.00 0.00 O ATOM 333 OE2 GLU A 22 -3.360 -6.559 3.089 1.00 0.00 O ATOM 0 H GLU A 22 0.120 -8.925 4.470 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.326 -10.879 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.106 -8.428 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.448 -9.081 1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.583 -8.505 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.892 -7.101 3.395 1.00 0.00 H new ATOM 340 N GLU A 23 1.864 -10.804 2.405 1.00 0.00 N ATOM 341 CA GLU A 23 2.940 -11.563 1.706 1.00 0.00 C ATOM 342 C GLU A 23 2.944 -12.992 2.236 1.00 0.00 C ATOM 343 O GLU A 23 2.739 -13.932 1.499 1.00 0.00 O ATOM 344 CB GLU A 23 4.250 -10.846 2.040 1.00 0.00 C ATOM 345 CG GLU A 23 5.283 -11.125 0.946 1.00 0.00 C ATOM 346 CD GLU A 23 6.659 -11.326 1.583 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.707 -11.570 2.778 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.642 -11.234 0.866 1.00 0.00 O ATOM 0 H GLU A 23 2.186 -10.142 3.111 1.00 0.00 H new ATOM 0 HA GLU A 23 2.797 -11.605 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.077 -9.773 2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.627 -11.186 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.999 -12.013 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.315 -10.295 0.241 1.00 0.00 H new ATOM 355 N ASN A 24 3.134 -13.177 3.512 1.00 0.00 N ATOM 356 CA ASN A 24 3.090 -14.567 4.037 1.00 0.00 C ATOM 357 C ASN A 24 1.736 -15.156 3.659 1.00 0.00 C ATOM 358 O ASN A 24 1.637 -16.271 3.187 1.00 0.00 O ATOM 359 CB ASN A 24 3.227 -14.452 5.555 1.00 0.00 C ATOM 360 CG ASN A 24 4.700 -14.260 5.933 1.00 0.00 C ATOM 361 OD1 ASN A 24 5.205 -14.937 6.807 1.00 0.00 O ATOM 362 ND2 ASN A 24 5.414 -13.363 5.310 1.00 0.00 N ATOM 0 H ASN A 24 3.314 -12.445 4.199 1.00 0.00 H new ATOM 0 HA ASN A 24 3.877 -15.205 3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.637 -13.611 5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.834 -15.349 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.395 -13.231 5.557 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.991 -12.794 4.576 1.00 0.00 H new ATOM 369 N LYS A 25 0.690 -14.397 3.846 1.00 0.00 N ATOM 370 CA LYS A 25 -0.661 -14.896 3.473 1.00 0.00 C ATOM 371 C LYS A 25 -0.672 -15.309 2.003 1.00 0.00 C ATOM 372 O LYS A 25 -1.055 -16.408 1.655 1.00 0.00 O ATOM 373 CB LYS A 25 -1.607 -13.719 3.712 1.00 0.00 C ATOM 374 CG LYS A 25 -3.039 -14.235 3.857 1.00 0.00 C ATOM 375 CD LYS A 25 -3.346 -14.479 5.335 1.00 0.00 C ATOM 376 CE LYS A 25 -3.787 -15.932 5.533 1.00 0.00 C ATOM 377 NZ LYS A 25 -5.230 -15.849 5.890 1.00 0.00 N ATOM 0 H LYS A 25 0.714 -13.456 4.240 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.956 -15.769 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.311 -13.178 4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.545 -13.015 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.741 -13.511 3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.163 -15.159 3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.464 -14.270 5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.130 -13.801 5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.637 -16.517 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.212 -16.415 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.606 -16.807 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.341 -15.292 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.753 -15.391 5.117 1.00 0.00 H new ATOM 391 N ILE A 26 -0.250 -14.432 1.142 1.00 0.00 N ATOM 392 CA ILE A 26 -0.231 -14.770 -0.316 1.00 0.00 C ATOM 393 C ILE A 26 0.739 -15.924 -0.580 1.00 0.00 C ATOM 394 O ILE A 26 0.741 -16.515 -1.642 1.00 0.00 O ATOM 395 CB ILE A 26 0.210 -13.489 -1.048 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.316 -13.522 -2.485 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.737 -13.373 -1.087 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.845 -13.437 -2.471 1.00 0.00 C ATOM 0 H ILE A 26 0.083 -13.497 1.377 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.209 -15.097 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.194 -12.632 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.100 -12.691 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.003 -14.439 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.019 -12.459 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.126 -13.344 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.154 -14.234 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.220 -13.460 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.251 -14.283 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.153 -12.507 -1.993 1.00 0.00 H new ATOM 410 N GLY A 27 1.560 -16.252 0.377 1.00 0.00 N ATOM 411 CA GLY A 27 2.524 -17.371 0.179 1.00 0.00 C ATOM 412 C GLY A 27 3.949 -16.822 0.147 1.00 0.00 C ATOM 413 O GLY A 27 4.665 -16.981 -0.822 1.00 0.00 O ATOM 0 H GLY A 27 1.606 -15.795 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.422 -18.099 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.304 -17.893 -0.752 1.00 0.00 H new ATOM 417 N GLN A 28 4.369 -16.179 1.200 1.00 0.00 N ATOM 418 CA GLN A 28 5.751 -15.622 1.233 1.00 0.00 C ATOM 419 C GLN A 28 6.187 -15.391 2.680 1.00 0.00 C ATOM 420 O GLN A 28 6.143 -14.286 3.184 1.00 0.00 O ATOM 421 CB GLN A 28 5.661 -14.296 0.480 1.00 0.00 C ATOM 422 CG GLN A 28 6.684 -14.285 -0.659 1.00 0.00 C ATOM 423 CD GLN A 28 8.060 -14.665 -0.112 1.00 0.00 C ATOM 424 OE1 GLN A 28 8.484 -14.158 0.908 1.00 0.00 O ATOM 425 NE2 GLN A 28 8.783 -15.544 -0.752 1.00 0.00 N ATOM 0 H GLN A 28 3.815 -16.015 2.040 1.00 0.00 H new ATOM 0 HA GLN A 28 6.482 -16.295 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.656 -14.159 0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.850 -13.466 1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.384 -14.986 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.723 -13.297 -1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.428 -15.970 -1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.703 -15.805 -0.396 1.00 0.00 H new ATOM 486 N LEU A 32 11.237 -11.334 6.357 1.00 0.00 N ATOM 487 CA LEU A 32 10.771 -9.927 6.524 1.00 0.00 C ATOM 488 C LEU A 32 10.517 -9.285 5.157 1.00 0.00 C ATOM 489 O LEU A 32 10.942 -9.788 4.135 1.00 0.00 O ATOM 490 CB LEU A 32 11.915 -9.215 7.245 1.00 0.00 C ATOM 491 CG LEU A 32 13.207 -9.386 6.445 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.963 -8.058 6.408 1.00 0.00 C ATOM 493 CD2 LEU A 32 14.081 -10.451 7.111 1.00 0.00 C ATOM 0 HA LEU A 32 9.836 -9.866 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.683 -8.156 7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.038 -9.625 8.247 1.00 0.00 H new ATOM 0 HG LEU A 32 12.967 -9.696 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.884 -8.179 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.341 -7.298 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.204 -7.748 7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.002 -10.574 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.321 -10.141 8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.543 -11.398 7.139 1.00 0.00 H new ATOM 505 N THR A 33 9.825 -8.179 5.132 1.00 0.00 N ATOM 506 CA THR A 33 9.542 -7.505 3.832 1.00 0.00 C ATOM 507 C THR A 33 9.785 -5.996 3.955 1.00 0.00 C ATOM 508 O THR A 33 8.918 -5.194 3.673 1.00 0.00 O ATOM 509 CB THR A 33 8.063 -7.790 3.547 1.00 0.00 C ATOM 510 OG1 THR A 33 7.503 -8.538 4.618 1.00 0.00 O ATOM 511 CG2 THR A 33 7.934 -8.587 2.248 1.00 0.00 C ATOM 0 H THR A 33 9.443 -7.713 5.955 1.00 0.00 H new ATOM 0 HA THR A 33 10.187 -7.867 3.031 1.00 0.00 H new ATOM 0 HB THR A 33 7.529 -6.845 3.448 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.898 -9.220 4.259 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.882 -8.788 2.048 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.357 -8.011 1.424 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.472 -9.530 2.345 1.00 0.00 H new ATOM 519 N PHE A 34 10.960 -5.606 4.374 1.00 0.00 N ATOM 520 CA PHE A 34 11.258 -4.148 4.513 1.00 0.00 C ATOM 521 C PHE A 34 12.732 -3.940 4.883 1.00 0.00 C ATOM 522 O PHE A 34 13.051 -3.390 5.917 1.00 0.00 O ATOM 523 CB PHE A 34 10.342 -3.662 5.639 1.00 0.00 C ATOM 524 CG PHE A 34 10.847 -4.176 6.967 1.00 0.00 C ATOM 525 CD1 PHE A 34 10.747 -5.538 7.275 1.00 0.00 C ATOM 526 CD2 PHE A 34 11.411 -3.289 7.893 1.00 0.00 C ATOM 527 CE1 PHE A 34 11.212 -6.013 8.507 1.00 0.00 C ATOM 528 CE2 PHE A 34 11.876 -3.765 9.125 1.00 0.00 C ATOM 529 CZ PHE A 34 11.776 -5.127 9.431 1.00 0.00 C ATOM 0 H PHE A 34 11.725 -6.232 4.626 1.00 0.00 H new ATOM 0 HA PHE A 34 11.087 -3.600 3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.309 -2.573 5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.323 -4.010 5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.311 -6.222 6.562 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.487 -2.238 7.657 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.135 -7.064 8.744 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.312 -3.081 9.839 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.135 -5.494 10.381 1.00 0.00 H new ATOM 539 N ASN A 35 13.631 -4.383 4.047 1.00 0.00 N ATOM 540 CA ASN A 35 15.082 -4.221 4.352 1.00 0.00 C ATOM 541 C ASN A 35 15.621 -2.896 3.792 1.00 0.00 C ATOM 542 O ASN A 35 16.185 -2.096 4.513 1.00 0.00 O ATOM 543 CB ASN A 35 15.764 -5.404 3.666 1.00 0.00 C ATOM 544 CG ASN A 35 16.522 -6.230 4.706 1.00 0.00 C ATOM 545 OD1 ASN A 35 15.975 -6.591 5.728 1.00 0.00 O ATOM 546 ND2 ASN A 35 17.769 -6.546 4.486 1.00 0.00 N ATOM 0 H ASN A 35 13.423 -4.851 3.165 1.00 0.00 H new ATOM 0 HA ASN A 35 15.267 -4.200 5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.021 -6.024 3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.451 -5.046 2.899 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.284 -7.096 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 35 18.228 -6.243 3.627 1.00 0.00 H new ATOM 553 N LYS A 36 15.474 -2.663 2.514 1.00 0.00 N ATOM 554 CA LYS A 36 16.006 -1.396 1.927 1.00 0.00 C ATOM 555 C LYS A 36 15.195 -0.181 2.405 1.00 0.00 C ATOM 556 O LYS A 36 15.322 0.241 3.536 1.00 0.00 O ATOM 557 CB LYS A 36 15.900 -1.575 0.413 1.00 0.00 C ATOM 558 CG LYS A 36 16.545 -0.380 -0.290 1.00 0.00 C ATOM 559 CD LYS A 36 18.028 -0.308 0.083 1.00 0.00 C ATOM 560 CE LYS A 36 18.881 -0.511 -1.172 1.00 0.00 C ATOM 561 NZ LYS A 36 19.670 0.746 -1.307 1.00 0.00 N ATOM 0 H LYS A 36 15.012 -3.290 1.855 1.00 0.00 H new ATOM 0 HA LYS A 36 17.034 -1.208 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 36 16.394 -2.498 0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.854 -1.662 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.435 -0.477 -1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.041 0.542 0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.253 0.657 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.265 -1.071 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.534 -1.378 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.258 -0.683 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.281 0.684 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.022 1.553 -1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.258 0.879 -0.460 1.00 0.00 H new ATOM 575 N VAL A 37 14.382 0.405 1.558 1.00 0.00 N ATOM 576 CA VAL A 37 13.611 1.607 2.001 1.00 0.00 C ATOM 577 C VAL A 37 12.390 1.854 1.101 1.00 0.00 C ATOM 578 O VAL A 37 12.204 1.208 0.089 1.00 0.00 O ATOM 579 CB VAL A 37 14.616 2.754 1.868 1.00 0.00 C ATOM 580 CG1 VAL A 37 13.884 4.095 1.774 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.535 2.760 3.090 1.00 0.00 C ATOM 0 H VAL A 37 14.221 0.108 0.595 1.00 0.00 H new ATOM 0 HA VAL A 37 13.217 1.496 3.011 1.00 0.00 H new ATOM 0 HB VAL A 37 15.203 2.610 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.612 4.901 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.231 4.092 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.288 4.248 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.253 3.575 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.939 2.898 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.068 1.811 3.149 1.00 0.00 H new ATOM 591 N ILE A 38 11.563 2.803 1.470 1.00 0.00 N ATOM 592 CA ILE A 38 10.356 3.122 0.649 1.00 0.00 C ATOM 593 C ILE A 38 10.402 4.581 0.188 1.00 0.00 C ATOM 594 O ILE A 38 10.396 5.500 0.982 1.00 0.00 O ATOM 595 CB ILE A 38 9.140 2.852 1.559 1.00 0.00 C ATOM 596 CG1 ILE A 38 7.928 3.687 1.091 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.472 3.180 3.018 1.00 0.00 C ATOM 598 CD1 ILE A 38 7.963 5.106 1.679 1.00 0.00 C ATOM 0 H ILE A 38 11.674 3.372 2.309 1.00 0.00 H new ATOM 0 HA ILE A 38 10.303 2.514 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 38 8.889 1.793 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.922 3.743 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.005 3.190 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.601 2.983 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.305 2.560 3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.747 4.231 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.096 5.666 1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.944 5.049 2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.874 5.610 1.358 1.00 0.00 H new ATOM 610 N ARG A 39 10.445 4.791 -1.098 1.00 0.00 N ATOM 611 CA ARG A 39 10.484 6.182 -1.629 1.00 0.00 C ATOM 612 C ARG A 39 9.313 6.405 -2.596 1.00 0.00 C ATOM 613 O ARG A 39 8.516 7.299 -2.391 1.00 0.00 O ATOM 614 CB ARG A 39 11.828 6.312 -2.345 1.00 0.00 C ATOM 615 CG ARG A 39 12.664 7.400 -1.668 1.00 0.00 C ATOM 616 CD ARG A 39 14.135 7.228 -2.052 1.00 0.00 C ATOM 617 NE ARG A 39 14.480 8.460 -2.815 1.00 0.00 N ATOM 618 CZ ARG A 39 15.596 9.090 -2.567 1.00 0.00 C ATOM 619 NH1 ARG A 39 15.830 9.557 -1.371 1.00 0.00 N ATOM 620 NH2 ARG A 39 16.476 9.254 -3.515 1.00 0.00 N ATOM 0 H ARG A 39 10.455 4.057 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 39 10.388 6.929 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.360 5.361 -2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.670 6.560 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.311 8.386 -1.971 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.550 7.340 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.764 7.122 -1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.283 6.334 -2.658 1.00 0.00 H new ATOM 0 HE ARG A 39 13.844 8.811 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.141 9.430 -0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.702 10.049 -1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.292 8.890 -4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.348 9.746 -3.322 1.00 0.00 H new ATOM 634 N PRO A 40 9.228 5.585 -3.621 1.00 0.00 N ATOM 635 CA PRO A 40 8.128 5.719 -4.592 1.00 0.00 C ATOM 636 C PRO A 40 6.905 4.923 -4.125 1.00 0.00 C ATOM 637 O PRO A 40 6.308 4.163 -4.867 1.00 0.00 O ATOM 638 CB PRO A 40 8.718 5.144 -5.874 1.00 0.00 C ATOM 639 CG PRO A 40 9.810 4.207 -5.441 1.00 0.00 C ATOM 640 CD PRO A 40 10.121 4.478 -3.982 1.00 0.00 C ATOM 0 HA PRO A 40 7.780 6.744 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.958 4.618 -6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.112 5.935 -6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.497 3.172 -5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.700 4.354 -6.052 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.934 3.599 -3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.167 4.749 -3.842 1.00 0.00 H new ATOM 648 N CYS A 41 6.524 5.099 -2.895 1.00 0.00 N ATOM 649 CA CYS A 41 5.335 4.370 -2.379 1.00 0.00 C ATOM 650 C CYS A 41 4.078 5.223 -2.592 1.00 0.00 C ATOM 651 O CYS A 41 4.031 6.386 -2.234 1.00 0.00 O ATOM 652 CB CYS A 41 5.614 4.158 -0.890 1.00 0.00 C ATOM 653 SG CYS A 41 4.072 3.760 -0.031 1.00 0.00 S ATOM 0 H CYS A 41 6.983 5.715 -2.224 1.00 0.00 H new ATOM 0 HA CYS A 41 5.165 3.421 -2.888 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.335 3.351 -0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.059 5.056 -0.462 1.00 0.00 H new ATOM 0 HG CYS A 41 3.834 2.486 -0.134 1.00 0.00 H new ATOM 659 N MET A 42 3.063 4.658 -3.182 1.00 0.00 N ATOM 660 CA MET A 42 1.819 5.438 -3.428 1.00 0.00 C ATOM 661 C MET A 42 0.612 4.752 -2.783 1.00 0.00 C ATOM 662 O MET A 42 0.649 3.584 -2.449 1.00 0.00 O ATOM 663 CB MET A 42 1.664 5.454 -4.948 1.00 0.00 C ATOM 664 CG MET A 42 2.374 6.681 -5.522 1.00 0.00 C ATOM 665 SD MET A 42 1.860 6.927 -7.240 1.00 0.00 S ATOM 666 CE MET A 42 3.311 6.181 -8.022 1.00 0.00 C ATOM 0 H MET A 42 3.041 3.691 -3.504 1.00 0.00 H new ATOM 0 HA MET A 42 1.876 6.440 -3.003 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.085 4.544 -5.376 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.608 5.474 -5.216 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.134 7.564 -4.929 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.454 6.547 -5.470 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.204 6.226 -9.106 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.206 6.726 -7.723 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.399 5.141 -7.709 1.00 0.00 H new ATOM 676 N LYS A 43 -0.461 5.472 -2.621 1.00 0.00 N ATOM 677 CA LYS A 43 -1.684 4.873 -2.016 1.00 0.00 C ATOM 678 C LYS A 43 -2.922 5.486 -2.671 1.00 0.00 C ATOM 679 O LYS A 43 -3.168 6.671 -2.564 1.00 0.00 O ATOM 680 CB LYS A 43 -1.622 5.240 -0.533 1.00 0.00 C ATOM 681 CG LYS A 43 -2.786 4.574 0.205 1.00 0.00 C ATOM 682 CD LYS A 43 -3.842 5.626 0.550 1.00 0.00 C ATOM 683 CE LYS A 43 -5.226 5.108 0.153 1.00 0.00 C ATOM 684 NZ LYS A 43 -5.920 4.839 1.444 1.00 0.00 N ATOM 0 H LYS A 43 -0.545 6.454 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.737 3.793 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.673 4.915 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.672 6.322 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.225 3.793 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.426 4.093 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.817 5.846 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.627 6.558 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.768 5.844 -0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.151 4.204 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.858 5.289 1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.030 3.813 1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.358 5.228 2.228 1.00 0.00 H new ATOM 698 N LYS A 44 -3.700 4.697 -3.360 1.00 0.00 N ATOM 699 CA LYS A 44 -4.910 5.257 -4.024 1.00 0.00 C ATOM 700 C LYS A 44 -6.157 4.492 -3.586 1.00 0.00 C ATOM 701 O LYS A 44 -6.096 3.330 -3.240 1.00 0.00 O ATOM 702 CB LYS A 44 -4.663 5.069 -5.522 1.00 0.00 C ATOM 703 CG LYS A 44 -3.528 5.991 -5.974 1.00 0.00 C ATOM 704 CD LYS A 44 -2.664 5.268 -7.010 1.00 0.00 C ATOM 705 CE LYS A 44 -2.589 6.108 -8.287 1.00 0.00 C ATOM 706 NZ LYS A 44 -1.526 7.115 -8.023 1.00 0.00 N ATOM 0 H LYS A 44 -3.552 3.696 -3.491 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.075 6.303 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.407 4.030 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.571 5.292 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.937 6.906 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.920 6.283 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.663 5.102 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.086 4.288 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.343 5.491 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.544 6.589 -8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.627 7.909 -8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.615 7.466 -7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.592 6.675 -8.149 1.00 0.00 H new ATOM 720 N THR A 45 -7.290 5.133 -3.596 1.00 0.00 N ATOM 721 CA THR A 45 -8.536 4.436 -3.176 1.00 0.00 C ATOM 722 C THR A 45 -9.736 4.971 -3.961 1.00 0.00 C ATOM 723 O THR A 45 -9.766 6.112 -4.374 1.00 0.00 O ATOM 724 CB THR A 45 -8.680 4.757 -1.684 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.817 3.913 -0.936 1.00 0.00 O ATOM 726 CG2 THR A 45 -10.126 4.524 -1.238 1.00 0.00 C ATOM 0 H THR A 45 -7.408 6.107 -3.876 1.00 0.00 H new ATOM 0 HA THR A 45 -8.493 3.363 -3.362 1.00 0.00 H new ATOM 0 HB THR A 45 -8.415 5.801 -1.514 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.273 3.621 -0.119 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.221 4.754 -0.177 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.792 5.170 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.396 3.482 -1.409 1.00 0.00 H new ATOM 734 N ILE A 46 -10.739 4.159 -4.136 1.00 0.00 N ATOM 735 CA ILE A 46 -11.958 4.611 -4.853 1.00 0.00 C ATOM 736 C ILE A 46 -13.127 4.405 -3.907 1.00 0.00 C ATOM 737 O ILE A 46 -14.179 3.935 -4.274 1.00 0.00 O ATOM 738 CB ILE A 46 -12.073 3.704 -6.072 1.00 0.00 C ATOM 739 CG1 ILE A 46 -13.329 4.077 -6.861 1.00 0.00 C ATOM 740 CG2 ILE A 46 -12.169 2.249 -5.613 1.00 0.00 C ATOM 741 CD1 ILE A 46 -12.934 4.899 -8.089 1.00 0.00 C ATOM 0 H ILE A 46 -10.765 3.193 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.933 5.656 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.195 3.826 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.859 3.176 -7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -14.011 4.649 -6.231 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.251 1.598 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.276 1.986 -5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.049 2.124 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.829 5.165 -8.652 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.423 5.807 -7.770 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.269 4.311 -8.722 1.00 0.00 H new ATOM 898 N GLY A 55 -13.814 1.203 -2.263 1.00 0.00 N ATOM 899 CA GLY A 55 -12.674 0.245 -2.365 1.00 0.00 C ATOM 900 C GLY A 55 -11.382 0.911 -1.900 1.00 0.00 C ATOM 901 O GLY A 55 -11.351 2.085 -1.600 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.876 -0.637 -1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.566 -0.095 -3.395 1.00 0.00 H new ATOM 905 N TYR A 56 -10.311 0.165 -1.841 1.00 0.00 N ATOM 906 CA TYR A 56 -9.014 0.752 -1.395 1.00 0.00 C ATOM 907 C TYR A 56 -7.846 -0.059 -1.963 1.00 0.00 C ATOM 908 O TYR A 56 -7.537 -1.135 -1.491 1.00 0.00 O ATOM 909 CB TYR A 56 -9.046 0.660 0.133 1.00 0.00 C ATOM 910 CG TYR A 56 -7.652 0.836 0.693 1.00 0.00 C ATOM 911 CD1 TYR A 56 -6.690 1.568 -0.017 1.00 0.00 C ATOM 912 CD2 TYR A 56 -7.323 0.268 1.930 1.00 0.00 C ATOM 913 CE1 TYR A 56 -5.403 1.729 0.509 1.00 0.00 C ATOM 914 CE2 TYR A 56 -6.035 0.430 2.455 1.00 0.00 C ATOM 915 CZ TYR A 56 -5.075 1.160 1.745 1.00 0.00 C ATOM 916 OH TYR A 56 -3.806 1.321 2.263 1.00 0.00 O ATOM 0 H TYR A 56 -10.278 -0.825 -2.082 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.881 1.778 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.708 1.425 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -9.450 -0.305 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.942 2.008 -0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.063 -0.295 2.479 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.663 2.293 -0.039 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.782 -0.009 3.409 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.745 0.865 3.128 1.00 0.00 H new ATOM 926 N GLU A 57 -7.185 0.455 -2.965 1.00 0.00 N ATOM 927 CA GLU A 57 -6.031 -0.284 -3.552 1.00 0.00 C ATOM 928 C GLU A 57 -4.718 0.377 -3.108 1.00 0.00 C ATOM 929 O GLU A 57 -4.676 1.558 -2.818 1.00 0.00 O ATOM 930 CB GLU A 57 -6.209 -0.170 -5.066 1.00 0.00 C ATOM 931 CG GLU A 57 -6.156 1.303 -5.479 1.00 0.00 C ATOM 932 CD GLU A 57 -5.509 1.423 -6.859 1.00 0.00 C ATOM 933 OE1 GLU A 57 -4.317 1.182 -6.956 1.00 0.00 O ATOM 934 OE2 GLU A 57 -6.216 1.754 -7.796 1.00 0.00 O ATOM 0 H GLU A 57 -7.394 1.353 -3.402 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.994 -1.325 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.426 -0.730 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.161 -0.608 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.162 1.722 -5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.587 1.876 -4.748 1.00 0.00 H new ATOM 941 N TYR A 58 -3.647 -0.366 -3.030 1.00 0.00 N ATOM 942 CA TYR A 58 -2.362 0.255 -2.575 1.00 0.00 C ATOM 943 C TYR A 58 -1.203 -0.020 -3.533 1.00 0.00 C ATOM 944 O TYR A 58 -1.119 -1.058 -4.155 1.00 0.00 O ATOM 945 CB TYR A 58 -2.070 -0.403 -1.231 1.00 0.00 C ATOM 946 CG TYR A 58 -0.770 0.123 -0.668 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.461 1.485 -0.766 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.114 -0.749 -0.018 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.729 1.975 -0.217 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.298 -0.257 0.537 1.00 0.00 C ATOM 951 CZ TYR A 58 1.605 1.104 0.440 1.00 0.00 C ATOM 952 OH TYR A 58 2.774 1.585 0.991 1.00 0.00 O ATOM 0 H TYR A 58 -3.601 -1.359 -3.256 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.459 1.339 -2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.884 -0.203 -0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.012 -1.485 -1.352 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.142 2.158 -1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.120 -1.801 0.054 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.971 3.024 -0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.977 -0.928 1.042 1.00 0.00 H new ATOM 0 HH TYR A 58 2.757 2.565 0.991 1.00 0.00 H new ATOM 962 N GLN A 59 -0.286 0.906 -3.613 1.00 0.00 N ATOM 963 CA GLN A 59 0.909 0.722 -4.479 1.00 0.00 C ATOM 964 C GLN A 59 2.148 1.143 -3.683 1.00 0.00 C ATOM 965 O GLN A 59 2.343 2.303 -3.389 1.00 0.00 O ATOM 966 CB GLN A 59 0.688 1.645 -5.678 1.00 0.00 C ATOM 967 CG GLN A 59 -0.343 1.022 -6.621 1.00 0.00 C ATOM 968 CD GLN A 59 -1.051 2.128 -7.406 1.00 0.00 C ATOM 969 OE1 GLN A 59 -2.213 2.401 -7.179 1.00 0.00 O ATOM 970 NE2 GLN A 59 -0.395 2.780 -8.326 1.00 0.00 N ATOM 0 H GLN A 59 -0.316 1.792 -3.108 1.00 0.00 H new ATOM 0 HA GLN A 59 1.052 -0.308 -4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.343 2.622 -5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.629 1.805 -6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.147 0.331 -7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.070 0.444 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.580 2.551 -8.516 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.858 3.519 -8.855 1.00 0.00 H new ATOM 979 N LEU A 60 2.973 0.207 -3.311 1.00 0.00 N ATOM 980 CA LEU A 60 4.183 0.546 -2.511 1.00 0.00 C ATOM 981 C LEU A 60 5.439 0.220 -3.305 1.00 0.00 C ATOM 982 O LEU A 60 6.146 -0.718 -2.999 1.00 0.00 O ATOM 983 CB LEU A 60 4.087 -0.350 -1.274 1.00 0.00 C ATOM 984 CG LEU A 60 5.399 -0.304 -0.486 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.194 0.491 0.804 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.826 -1.730 -0.133 1.00 0.00 C ATOM 0 H LEU A 60 2.862 -0.784 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 60 4.234 1.604 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.262 -0.022 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.870 -1.375 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 60 6.169 0.174 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.129 0.523 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.882 1.507 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.425 0.011 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.760 -1.702 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.053 -2.202 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.970 -2.304 -1.048 1.00 0.00 H new ATOM 998 N TYR A 61 5.734 0.988 -4.315 1.00 0.00 N ATOM 999 CA TYR A 61 6.952 0.704 -5.107 1.00 0.00 C ATOM 1000 C TYR A 61 8.176 1.098 -4.281 1.00 0.00 C ATOM 1001 O TYR A 61 8.435 2.261 -4.048 1.00 0.00 O ATOM 1002 CB TYR A 61 6.790 1.552 -6.362 1.00 0.00 C ATOM 1003 CG TYR A 61 8.122 1.717 -7.059 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.128 0.757 -6.889 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.348 2.829 -7.877 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.360 0.912 -7.536 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.580 2.984 -8.525 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.585 2.026 -8.355 1.00 0.00 C ATOM 1009 OH TYR A 61 11.799 2.180 -8.993 1.00 0.00 O ATOM 0 H TYR A 61 5.187 1.793 -4.621 1.00 0.00 H new ATOM 0 HA TYR A 61 7.086 -0.345 -5.369 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.074 1.082 -7.037 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.386 2.530 -6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.953 -0.103 -6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.572 3.568 -8.009 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.136 0.173 -7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.754 3.843 -9.156 1.00 0.00 H new ATOM 0 HH TYR A 61 11.788 3.005 -9.522 1.00 0.00 H new ATOM 1019 N VAL A 62 8.910 0.126 -3.810 1.00 0.00 N ATOM 1020 CA VAL A 62 10.100 0.408 -2.966 1.00 0.00 C ATOM 1021 C VAL A 62 11.023 -0.800 -2.976 1.00 0.00 C ATOM 1022 O VAL A 62 10.955 -1.641 -3.852 1.00 0.00 O ATOM 1023 CB VAL A 62 9.538 0.605 -1.561 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.560 1.780 -1.547 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.803 -0.663 -1.133 1.00 0.00 C ATOM 0 H VAL A 62 8.731 -0.864 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 62 10.667 1.271 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 62 10.358 0.813 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.165 1.912 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.078 2.688 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.739 1.579 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.399 -0.528 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.988 -0.863 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.497 -1.504 -1.135 1.00 0.00 H new ATOM 1035 N TYR A 63 11.873 -0.906 -2.002 1.00 0.00 N ATOM 1036 CA TYR A 63 12.783 -2.080 -1.956 1.00 0.00 C ATOM 1037 C TYR A 63 12.852 -2.650 -0.538 1.00 0.00 C ATOM 1038 O TYR A 63 12.854 -1.925 0.437 1.00 0.00 O ATOM 1039 CB TYR A 63 14.150 -1.550 -2.384 1.00 0.00 C ATOM 1040 CG TYR A 63 15.062 -2.714 -2.686 1.00 0.00 C ATOM 1041 CD1 TYR A 63 15.419 -3.609 -1.668 1.00 0.00 C ATOM 1042 CD2 TYR A 63 15.551 -2.899 -3.982 1.00 0.00 C ATOM 1043 CE1 TYR A 63 16.265 -4.688 -1.950 1.00 0.00 C ATOM 1044 CE2 TYR A 63 16.398 -3.977 -4.265 1.00 0.00 C ATOM 1045 CZ TYR A 63 16.755 -4.871 -3.249 1.00 0.00 C ATOM 1046 OH TYR A 63 17.591 -5.933 -3.528 1.00 0.00 O ATOM 0 H TYR A 63 11.979 -0.237 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 63 12.438 -2.885 -2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.048 -0.915 -3.264 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.578 -0.933 -1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 63 15.041 -3.466 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.275 -2.209 -4.766 1.00 0.00 H new ATOM 0 HE1 TYR A 63 16.540 -5.379 -1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 63 16.776 -4.119 -5.267 1.00 0.00 H new ATOM 0 HH TYR A 63 17.838 -5.914 -4.476 1.00 0.00 H new ATOM 1056 N ALA A 64 12.913 -3.946 -0.419 1.00 0.00 N ATOM 1057 CA ALA A 64 12.997 -4.571 0.930 1.00 0.00 C ATOM 1058 C ALA A 64 14.033 -5.704 0.903 1.00 0.00 C ATOM 1059 O ALA A 64 15.193 -5.479 0.625 1.00 0.00 O ATOM 1060 CB ALA A 64 11.594 -5.108 1.203 1.00 0.00 C ATOM 0 H ALA A 64 12.908 -4.602 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 64 13.310 -3.873 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.572 -5.586 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.879 -4.285 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.328 -5.837 0.437 1.00 0.00 H new ATOM 1066 N SER A 65 13.628 -6.918 1.174 1.00 0.00 N ATOM 1067 CA SER A 65 14.599 -8.050 1.139 1.00 0.00 C ATOM 1068 C SER A 65 14.460 -8.792 -0.192 1.00 0.00 C ATOM 1069 O SER A 65 15.400 -9.364 -0.704 1.00 0.00 O ATOM 1070 CB SER A 65 14.201 -8.953 2.306 1.00 0.00 C ATOM 1071 OG SER A 65 15.021 -10.116 2.302 1.00 0.00 O ATOM 0 H SER A 65 12.671 -7.173 1.417 1.00 0.00 H new ATOM 0 HA SER A 65 15.635 -7.722 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.313 -8.418 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.151 -9.234 2.222 1.00 0.00 H new ATOM 0 HG SER A 65 14.689 -10.748 1.631 1.00 0.00 H new ATOM 1077 N ASP A 66 13.284 -8.769 -0.756 1.00 0.00 N ATOM 1078 CA ASP A 66 13.051 -9.451 -2.060 1.00 0.00 C ATOM 1079 C ASP A 66 11.972 -8.692 -2.838 1.00 0.00 C ATOM 1080 O ASP A 66 11.366 -9.206 -3.757 1.00 0.00 O ATOM 1081 CB ASP A 66 12.568 -10.855 -1.697 1.00 0.00 C ATOM 1082 CG ASP A 66 13.755 -11.696 -1.223 1.00 0.00 C ATOM 1083 OD1 ASP A 66 14.493 -12.174 -2.069 1.00 0.00 O ATOM 1084 OD2 ASP A 66 13.905 -11.847 -0.022 1.00 0.00 O ATOM 0 H ASP A 66 12.466 -8.302 -0.365 1.00 0.00 H new ATOM 0 HA ASP A 66 13.944 -9.487 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.812 -10.800 -0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.098 -11.324 -2.561 1.00 0.00 H new ATOM 1089 N LYS A 67 11.731 -7.466 -2.458 1.00 0.00 N ATOM 1090 CA LYS A 67 10.694 -6.645 -3.145 1.00 0.00 C ATOM 1091 C LYS A 67 11.357 -5.543 -3.967 1.00 0.00 C ATOM 1092 O LYS A 67 11.406 -4.396 -3.569 1.00 0.00 O ATOM 1093 CB LYS A 67 9.884 -6.042 -2.009 1.00 0.00 C ATOM 1094 CG LYS A 67 8.987 -4.920 -2.537 1.00 0.00 C ATOM 1095 CD LYS A 67 9.111 -3.701 -1.619 1.00 0.00 C ATOM 1096 CE LYS A 67 8.910 -4.133 -0.164 1.00 0.00 C ATOM 1097 NZ LYS A 67 9.272 -2.939 0.650 1.00 0.00 N ATOM 0 H LYS A 67 12.214 -6.994 -1.693 1.00 0.00 H new ATOM 0 HA LYS A 67 10.081 -7.228 -3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.275 -6.813 -1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.554 -5.652 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.276 -4.655 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.951 -5.256 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.091 -3.240 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.369 -2.950 -1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.879 -4.436 0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.542 -4.986 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.586 -3.244 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.040 -2.419 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.442 -2.319 0.745 1.00 0.00 H new ATOM 1111 N LEU A 68 11.851 -5.883 -5.114 1.00 0.00 N ATOM 1112 CA LEU A 68 12.503 -4.863 -5.987 1.00 0.00 C ATOM 1113 C LEU A 68 11.442 -4.175 -6.834 1.00 0.00 C ATOM 1114 O LEU A 68 11.511 -4.190 -8.044 1.00 0.00 O ATOM 1115 CB LEU A 68 13.454 -5.653 -6.887 1.00 0.00 C ATOM 1116 CG LEU A 68 14.582 -6.249 -6.044 1.00 0.00 C ATOM 1117 CD1 LEU A 68 14.153 -7.617 -5.512 1.00 0.00 C ATOM 1118 CD2 LEU A 68 15.834 -6.409 -6.909 1.00 0.00 C ATOM 0 H LEU A 68 11.835 -6.829 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 68 13.027 -4.098 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 12.911 -6.447 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.867 -5.002 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 68 14.800 -5.586 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 68 14.957 -8.042 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.260 -7.504 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 68 13.935 -8.281 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.639 -6.834 -6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.616 -7.073 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 68 16.140 -5.435 -7.289 1.00 0.00 H new ATOM 1130 N PHE A 69 10.456 -3.575 -6.217 1.00 0.00 N ATOM 1131 CA PHE A 69 9.392 -2.901 -7.013 1.00 0.00 C ATOM 1132 C PHE A 69 8.226 -2.503 -6.101 1.00 0.00 C ATOM 1133 O PHE A 69 8.424 -1.802 -5.141 1.00 0.00 O ATOM 1134 CB PHE A 69 8.965 -3.914 -8.080 1.00 0.00 C ATOM 1135 CG PHE A 69 8.964 -5.316 -7.511 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.404 -5.570 -6.252 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.536 -6.363 -8.245 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.415 -6.869 -5.731 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.547 -7.661 -7.722 1.00 0.00 C ATOM 1140 CZ PHE A 69 8.987 -7.914 -6.466 1.00 0.00 C ATOM 0 H PHE A 69 10.344 -3.524 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 69 9.743 -1.980 -7.479 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.970 -3.664 -8.449 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.643 -3.862 -8.932 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.964 -4.764 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.969 -6.168 -9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.982 -7.065 -4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.988 -8.468 -8.289 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.996 -8.916 -6.063 1.00 0.00 H new ATOM 1150 N ARG A 70 7.012 -2.910 -6.381 1.00 0.00 N ATOM 1151 CA ARG A 70 5.892 -2.477 -5.495 1.00 0.00 C ATOM 1152 C ARG A 70 5.046 -3.633 -4.977 1.00 0.00 C ATOM 1153 O ARG A 70 4.745 -4.582 -5.674 1.00 0.00 O ATOM 1154 CB ARG A 70 5.019 -1.584 -6.377 1.00 0.00 C ATOM 1155 CG ARG A 70 3.689 -1.266 -5.663 1.00 0.00 C ATOM 1156 CD ARG A 70 2.523 -1.665 -6.569 1.00 0.00 C ATOM 1157 NE ARG A 70 2.601 -0.732 -7.728 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.383 -1.174 -8.937 1.00 0.00 C ATOM 1159 NH1 ARG A 70 1.706 -2.275 -9.117 1.00 0.00 N ATOM 1160 NH2 ARG A 70 2.844 -0.515 -9.964 1.00 0.00 N ATOM 0 H ARG A 70 6.753 -3.509 -7.165 1.00 0.00 H new ATOM 0 HA ARG A 70 6.292 -1.982 -4.610 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.547 -0.659 -6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.821 -2.081 -7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.632 -1.806 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.634 -0.203 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.610 -2.703 -6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.569 -1.571 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 70 2.825 0.252 -7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.347 -2.790 -8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.536 -2.620 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.374 0.345 -9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.674 -0.859 -10.909 1.00 0.00 H new ATOM 1174 N ALA A 71 4.595 -3.493 -3.765 1.00 0.00 N ATOM 1175 CA ALA A 71 3.684 -4.491 -3.163 1.00 0.00 C ATOM 1176 C ALA A 71 2.339 -3.785 -2.998 1.00 0.00 C ATOM 1177 O ALA A 71 2.217 -2.848 -2.233 1.00 0.00 O ATOM 1178 CB ALA A 71 4.295 -4.845 -1.805 1.00 0.00 C ATOM 0 H ALA A 71 4.827 -2.709 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 71 3.549 -5.398 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.667 -5.582 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.293 -5.258 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.360 -3.947 -1.190 1.00 0.00 H new ATOM 1184 N ASP A 72 1.342 -4.174 -3.739 1.00 0.00 N ATOM 1185 CA ASP A 72 0.039 -3.459 -3.632 1.00 0.00 C ATOM 1186 C ASP A 72 -0.921 -4.235 -2.732 1.00 0.00 C ATOM 1187 O ASP A 72 -0.669 -5.364 -2.369 1.00 0.00 O ATOM 1188 CB ASP A 72 -0.476 -3.370 -5.078 1.00 0.00 C ATOM 1189 CG ASP A 72 -2.001 -3.542 -5.131 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -2.692 -2.724 -4.546 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -2.449 -4.489 -5.756 1.00 0.00 O ATOM 0 H ASP A 72 1.369 -4.945 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 72 0.134 -2.471 -3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.200 -2.407 -5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.002 -4.139 -5.686 1.00 0.00 H new ATOM 1196 N ILE A 73 -2.025 -3.630 -2.388 1.00 0.00 N ATOM 1197 CA ILE A 73 -3.029 -4.313 -1.528 1.00 0.00 C ATOM 1198 C ILE A 73 -4.422 -3.761 -1.843 1.00 0.00 C ATOM 1199 O ILE A 73 -4.723 -2.609 -1.602 1.00 0.00 O ATOM 1200 CB ILE A 73 -2.594 -4.032 -0.072 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.891 -5.262 0.787 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -3.346 -2.832 0.515 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -2.082 -6.450 0.270 1.00 0.00 C ATOM 0 H ILE A 73 -2.275 -2.682 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.079 -5.388 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.527 -3.808 -0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.638 -5.062 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.956 -5.492 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.016 -2.662 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.140 -1.945 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.417 -3.035 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.293 -7.327 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.357 -6.654 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.019 -6.217 0.324 1.00 0.00 H new ATOM 1215 N SER A 74 -5.273 -4.573 -2.396 1.00 0.00 N ATOM 1216 CA SER A 74 -6.639 -4.089 -2.731 1.00 0.00 C ATOM 1217 C SER A 74 -7.611 -4.500 -1.626 1.00 0.00 C ATOM 1218 O SER A 74 -7.406 -5.493 -0.957 1.00 0.00 O ATOM 1219 CB SER A 74 -6.994 -4.779 -4.048 1.00 0.00 C ATOM 1220 OG SER A 74 -8.209 -4.239 -4.550 1.00 0.00 O ATOM 0 H SER A 74 -5.085 -5.548 -2.630 1.00 0.00 H new ATOM 0 HA SER A 74 -6.691 -3.004 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.193 -4.637 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.097 -5.853 -3.893 1.00 0.00 H new ATOM 0 HG SER A 74 -8.438 -4.679 -5.395 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.660 -3.750 -1.414 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.617 -4.135 -0.326 1.00 0.00 C ATOM 1228 C GLU A 75 -11.060 -3.720 -0.643 1.00 0.00 C ATOM 1229 O GLU A 75 -11.401 -2.553 -0.631 1.00 0.00 O ATOM 1230 CB GLU A 75 -9.113 -3.397 0.914 1.00 0.00 C ATOM 1231 CG GLU A 75 -8.446 -4.392 1.866 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.221 -3.741 2.510 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -6.148 -3.849 1.940 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -7.377 -3.145 3.564 1.00 0.00 O ATOM 0 H GLU A 75 -8.896 -2.904 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.647 -5.217 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.403 -2.622 0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.942 -2.898 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.152 -4.704 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.150 -5.289 1.322 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.914 -4.679 -0.909 1.00 0.00 N ATOM 1242 CA ASP A 76 -13.348 -4.361 -1.207 1.00 0.00 C ATOM 1243 C ASP A 76 -13.975 -3.506 -0.086 1.00 0.00 C ATOM 1244 O ASP A 76 -13.536 -3.538 1.045 1.00 0.00 O ATOM 1245 CB ASP A 76 -14.033 -5.740 -1.280 1.00 0.00 C ATOM 1246 CG ASP A 76 -14.593 -6.142 0.091 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -15.662 -5.667 0.436 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -13.942 -6.920 0.770 1.00 0.00 O ATOM 0 H ASP A 76 -11.680 -5.671 -0.933 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.459 -3.783 -2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.839 -5.713 -2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.318 -6.489 -1.620 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.582 -8.432 -1.242 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.299 -8.399 -0.484 1.00 0.00 C ATOM 1367 C LYS A 83 -7.225 -9.121 -1.300 1.00 0.00 C ATOM 1368 O LYS A 83 -7.401 -10.253 -1.704 1.00 0.00 O ATOM 1369 CB LYS A 83 -8.584 -9.150 0.818 1.00 0.00 C ATOM 1370 CG LYS A 83 -7.876 -8.445 1.978 1.00 0.00 C ATOM 1371 CD LYS A 83 -7.882 -9.354 3.209 1.00 0.00 C ATOM 1372 CE LYS A 83 -7.074 -8.700 4.330 1.00 0.00 C ATOM 1373 NZ LYS A 83 -7.694 -9.196 5.590 1.00 0.00 N ATOM 0 HA LYS A 83 -7.945 -7.387 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.658 -9.187 1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.238 -10.181 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.851 -8.201 1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.377 -7.504 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.906 -9.530 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.456 -10.326 2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.022 -8.978 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.121 -7.613 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.193 -8.790 6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.694 -8.911 5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.628 -10.233 5.624 1.00 0.00 H new ATOM 1387 N LEU A 84 -6.121 -8.480 -1.561 1.00 0.00 N ATOM 1388 CA LEU A 84 -5.059 -9.143 -2.367 1.00 0.00 C ATOM 1389 C LEU A 84 -3.791 -8.297 -2.357 1.00 0.00 C ATOM 1390 O LEU A 84 -3.678 -7.343 -1.615 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.633 -9.230 -3.780 1.00 0.00 C ATOM 1392 CG LEU A 84 -5.244 -10.569 -4.408 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -5.955 -11.704 -3.670 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -5.660 -10.582 -5.881 1.00 0.00 C ATOM 0 H LEU A 84 -5.908 -7.531 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.792 -10.124 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.718 -9.132 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.256 -8.408 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.165 -10.705 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.678 -12.659 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.661 -11.696 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.034 -11.567 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.383 -11.536 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.739 -10.446 -5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.155 -9.773 -6.409 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.835 -8.634 -3.173 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.578 -7.838 -3.203 1.00 0.00 C ATOM 1408 C LEU A 85 -0.690 -8.272 -4.374 1.00 0.00 C ATOM 1409 O LEU A 85 -1.030 -9.162 -5.127 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.912 -8.115 -1.846 1.00 0.00 C ATOM 1411 CG LEU A 85 0.133 -9.231 -1.952 1.00 0.00 C ATOM 1412 CD1 LEU A 85 0.561 -9.639 -0.544 1.00 0.00 C ATOM 1413 CD2 LEU A 85 -0.455 -10.455 -2.661 1.00 0.00 C ATOM 0 H LEU A 85 -2.868 -9.423 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.757 -6.773 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.438 -7.205 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.672 -8.395 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 85 0.985 -8.864 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.305 -10.433 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.990 -8.779 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.306 -9.997 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.302 -11.236 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.311 -10.826 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.775 -10.175 -3.665 1.00 0.00 H new ATOM 1425 N ARG A 86 0.451 -7.657 -4.524 1.00 0.00 N ATOM 1426 CA ARG A 86 1.359 -8.055 -5.640 1.00 0.00 C ATOM 1427 C ARG A 86 2.731 -7.390 -5.499 1.00 0.00 C ATOM 1428 O ARG A 86 2.872 -6.191 -5.638 1.00 0.00 O ATOM 1429 CB ARG A 86 0.663 -7.583 -6.918 1.00 0.00 C ATOM 1430 CG ARG A 86 0.088 -6.183 -6.711 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.781 -5.805 -7.912 1.00 0.00 C ATOM 1432 NE ARG A 86 0.024 -6.190 -9.104 1.00 0.00 N ATOM 1433 CZ ARG A 86 -0.250 -7.291 -9.748 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -1.488 -7.590 -10.032 1.00 0.00 N ATOM 1435 NH2 ARG A 86 0.714 -8.095 -10.107 1.00 0.00 N ATOM 0 H ARG A 86 0.793 -6.903 -3.929 1.00 0.00 H new ATOM 0 HA ARG A 86 1.537 -9.130 -5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.371 -7.576 -7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.134 -8.277 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.504 -6.153 -5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.896 -5.461 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.734 -6.333 -7.892 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.007 -4.739 -7.916 1.00 0.00 H new ATOM 0 HE ARG A 86 0.790 -5.593 -9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.242 -6.963 -9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.702 -8.451 -10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.682 -7.862 -9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.499 -8.956 -10.610 1.00 0.00 H new ATOM 1449 N PHE A 87 3.749 -8.169 -5.243 1.00 0.00 N ATOM 1450 CA PHE A 87 5.121 -7.598 -5.116 1.00 0.00 C ATOM 1451 C PHE A 87 5.809 -7.612 -6.482 1.00 0.00 C ATOM 1452 O PHE A 87 6.522 -8.542 -6.805 1.00 0.00 O ATOM 1453 CB PHE A 87 5.868 -8.533 -4.158 1.00 0.00 C ATOM 1454 CG PHE A 87 4.982 -8.923 -2.999 1.00 0.00 C ATOM 1455 CD1 PHE A 87 4.973 -8.149 -1.834 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.180 -10.070 -3.085 1.00 0.00 C ATOM 1457 CE1 PHE A 87 4.162 -8.518 -0.757 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.371 -10.439 -2.005 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.364 -9.659 -0.842 1.00 0.00 C ATOM 0 H PHE A 87 3.688 -9.179 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 87 5.103 -6.570 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.192 -9.426 -4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.766 -8.040 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.592 -7.267 -1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.187 -10.668 -3.984 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.153 -7.919 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.754 -11.323 -2.068 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.739 -9.942 -0.008 1.00 0.00 H new ATOM 1469 N ASN A 88 5.624 -6.602 -7.291 1.00 0.00 N ATOM 1470 CA ASN A 88 6.309 -6.619 -8.617 1.00 0.00 C ATOM 1471 C ASN A 88 6.389 -5.233 -9.228 1.00 0.00 C ATOM 1472 O ASN A 88 6.116 -4.235 -8.591 1.00 0.00 O ATOM 1473 CB ASN A 88 5.518 -7.545 -9.534 1.00 0.00 C ATOM 1474 CG ASN A 88 4.038 -7.566 -9.138 1.00 0.00 C ATOM 1475 OD1 ASN A 88 3.496 -8.607 -8.820 1.00 0.00 O ATOM 1476 ND2 ASN A 88 3.357 -6.453 -9.144 1.00 0.00 N ATOM 0 H ASN A 88 5.044 -5.785 -7.099 1.00 0.00 H new ATOM 0 HA ASN A 88 7.333 -6.971 -8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.618 -7.214 -10.568 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.928 -8.554 -9.482 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.371 -6.457 -8.882 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.810 -5.579 -9.411 1.00 0.00 H new ATOM 1483 N GLY A 89 6.812 -5.179 -10.458 1.00 0.00 N ATOM 1484 CA GLY A 89 7.002 -3.876 -11.135 1.00 0.00 C ATOM 1485 C GLY A 89 8.454 -3.512 -10.873 1.00 0.00 C ATOM 1486 O GLY A 89 8.751 -2.526 -10.228 1.00 0.00 O ATOM 0 H GLY A 89 7.036 -5.995 -11.027 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.800 -3.952 -12.203 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.326 -3.120 -10.735 1.00 0.00 H new ATOM 1490 N PRO A 90 9.315 -4.385 -11.332 1.00 0.00 N ATOM 1491 CA PRO A 90 10.767 -4.236 -11.091 1.00 0.00 C ATOM 1492 C PRO A 90 11.313 -2.927 -11.659 1.00 0.00 C ATOM 1493 O PRO A 90 11.158 -2.623 -12.825 1.00 0.00 O ATOM 1494 CB PRO A 90 11.378 -5.458 -11.776 1.00 0.00 C ATOM 1495 CG PRO A 90 10.358 -5.856 -12.788 1.00 0.00 C ATOM 1496 CD PRO A 90 9.029 -5.575 -12.142 1.00 0.00 C ATOM 0 HA PRO A 90 11.009 -4.189 -10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.332 -5.217 -12.245 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.567 -6.261 -11.064 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.476 -5.287 -13.710 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.453 -6.910 -13.050 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.251 -5.385 -12.881 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.691 -6.411 -11.530 1.00 0.00 H new ATOM 1504 N VAL A 91 11.953 -2.153 -10.828 1.00 0.00 N ATOM 1505 CA VAL A 91 12.524 -0.855 -11.286 1.00 0.00 C ATOM 1506 C VAL A 91 13.713 -1.100 -12.219 1.00 0.00 C ATOM 1507 O VAL A 91 14.338 -2.138 -12.091 1.00 0.00 O ATOM 1508 CB VAL A 91 12.979 -0.156 -10.004 1.00 0.00 C ATOM 1509 CG1 VAL A 91 13.827 -1.117 -9.166 1.00 0.00 C ATOM 1510 CG2 VAL A 91 13.815 1.074 -10.362 1.00 0.00 C ATOM 0 H VAL A 91 12.106 -2.366 -9.842 1.00 0.00 H new ATOM 0 HA VAL A 91 11.804 -0.257 -11.845 1.00 0.00 H new ATOM 0 HB VAL A 91 12.103 0.150 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.150 -0.616 -8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.234 -1.995 -8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.701 -1.425 -9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.139 1.572 -9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.688 0.766 -10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.214 1.762 -10.957 1.00 0.00 H new