USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 698 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 29 HIS : no HD1:sc= -0.026 X(o=-0.058,f=-0.032) USER MOD Set 1.2: A 77 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 3 TYR OH : rot 130:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 9 SER OG : rot 175:sc= -0.973 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.587 USER MOD Single : A 22 HIS : no HD1:sc= -0.886 X(o=-0.89,f=-0.9) USER MOD Single : A 24 ASN : amide:sc= -2.57! C(o=-2.6!,f=-6.3!) USER MOD Single : A 26 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.16) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= -2.7! (180deg=-2.88!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -15:sc= 0.0213 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 43 LYS NZ :NH3+ -108:sc= -3.19! (180deg=-3.99!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 65 ASN : amide:sc= -2.76! K(o=-2.8!,f=-0.37) USER MOD Single : A 70 THR OG1 : rot 62:sc= -2.12! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -176:sc= -0.999 USER MOD Single : A 87 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.079) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 5.564 3.040 -14.909 1.00 0.00 N ATOM 20 CA TYR A 3 4.317 2.817 -14.185 1.00 0.00 C ATOM 21 C TYR A 3 4.173 3.815 -13.040 1.00 0.00 C ATOM 22 O TYR A 3 4.890 3.737 -12.042 1.00 0.00 O ATOM 23 CB TYR A 3 4.270 1.386 -13.644 1.00 0.00 C ATOM 24 CG TYR A 3 2.952 1.020 -13.001 1.00 0.00 C ATOM 25 CD1 TYR A 3 1.866 0.628 -13.774 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.795 1.061 -11.621 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.660 0.290 -13.191 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.591 0.724 -11.030 1.00 0.00 C ATOM 29 CZ TYR A 3 0.528 0.339 -11.820 1.00 0.00 C ATOM 30 OH TYR A 3 -0.671 0.002 -11.236 1.00 0.00 O ATOM 0 HA TYR A 3 3.487 2.963 -14.876 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.470 0.692 -14.460 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.068 1.257 -12.913 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.966 0.587 -14.849 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.626 1.361 -11.000 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.175 -0.011 -13.806 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.484 0.762 -9.956 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.514 -0.645 -10.517 1.00 0.00 H new ATOM 40 N TRP A 4 3.244 4.755 -13.192 1.00 0.00 N ATOM 41 CA TRP A 4 3.016 5.770 -12.168 1.00 0.00 C ATOM 42 C TRP A 4 1.521 6.015 -11.958 1.00 0.00 C ATOM 43 O TRP A 4 0.881 6.692 -12.764 1.00 0.00 O ATOM 44 CB TRP A 4 3.707 7.078 -12.564 1.00 0.00 C ATOM 45 CG TRP A 4 3.569 8.160 -11.537 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.597 9.118 -11.479 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.435 8.399 -10.422 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.804 9.935 -10.395 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.926 9.515 -9.730 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.590 7.776 -9.941 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.534 10.020 -8.584 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.192 8.279 -8.802 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.663 9.391 -8.135 1.00 0.00 C ATOM 0 H TRP A 4 2.640 4.835 -14.010 1.00 0.00 H new ATOM 0 HA TRP A 4 3.438 5.407 -11.231 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.766 6.883 -12.735 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.290 7.429 -13.508 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.784 9.218 -12.183 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.218 10.726 -10.128 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.005 6.918 -10.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 4.129 10.878 -8.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.085 7.806 -8.421 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.156 9.760 -7.248 1.00 0.00 H new ATOM 64 N PRO A 5 0.941 5.465 -10.873 1.00 0.00 N ATOM 65 CA PRO A 5 -0.484 5.639 -10.566 1.00 0.00 C ATOM 66 C PRO A 5 -0.834 7.094 -10.265 1.00 0.00 C ATOM 67 O PRO A 5 0.042 7.957 -10.236 1.00 0.00 O ATOM 68 CB PRO A 5 -0.704 4.770 -9.320 1.00 0.00 C ATOM 69 CG PRO A 5 0.479 3.865 -9.254 1.00 0.00 C ATOM 70 CD PRO A 5 1.615 4.628 -9.868 1.00 0.00 C ATOM 0 HA PRO A 5 -1.114 5.356 -11.409 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.780 5.383 -8.422 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.630 4.201 -9.397 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.704 3.591 -8.223 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.293 2.938 -9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.144 5.230 -9.129 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.350 3.963 -10.322 1.00 0.00 H new ATOM 78 N ALA A 6 -2.118 7.357 -10.040 1.00 0.00 N ATOM 79 CA ALA A 6 -2.567 8.714 -9.746 1.00 0.00 C ATOM 80 C ALA A 6 -2.175 9.135 -8.331 1.00 0.00 C ATOM 81 O ALA A 6 -1.039 9.544 -8.091 1.00 0.00 O ATOM 82 CB ALA A 6 -4.072 8.830 -9.942 1.00 0.00 C ATOM 0 H ALA A 6 -2.859 6.656 -10.055 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.071 9.390 -10.443 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.391 9.848 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.324 8.589 -10.975 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.581 8.136 -9.273 1.00 0.00 H new ATOM 88 N ARG A 7 -3.118 9.030 -7.396 1.00 0.00 N ATOM 89 CA ARG A 7 -2.862 9.407 -6.008 1.00 0.00 C ATOM 90 C ARG A 7 -3.682 8.549 -5.048 1.00 0.00 C ATOM 91 O ARG A 7 -3.131 7.867 -4.184 1.00 0.00 O ATOM 92 CB ARG A 7 -3.189 10.887 -5.786 1.00 0.00 C ATOM 93 CG ARG A 7 -2.342 11.832 -6.623 1.00 0.00 C ATOM 94 CD ARG A 7 -2.705 13.286 -6.365 1.00 0.00 C ATOM 95 NE ARG A 7 -1.906 14.200 -7.176 1.00 0.00 N ATOM 96 CZ ARG A 7 -1.997 15.524 -7.103 1.00 0.00 C ATOM 97 NH1 ARG A 7 -2.850 16.088 -6.258 1.00 0.00 N ATOM 98 NH2 ARG A 7 -1.235 16.286 -7.876 1.00 0.00 N ATOM 0 H ARG A 7 -4.062 8.688 -7.574 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.804 9.240 -5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.241 11.056 -6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.051 11.126 -4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.288 11.674 -6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.479 11.604 -7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.762 13.440 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.558 13.515 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.240 13.800 -7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.438 15.505 -5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.918 17.104 -6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.578 15.856 -8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.306 17.302 -7.819 1.00 0.00 H new ATOM 112 N HIS A 8 -5.000 8.593 -5.199 1.00 0.00 N ATOM 113 CA HIS A 8 -5.893 7.820 -4.345 1.00 0.00 C ATOM 114 C HIS A 8 -6.294 6.514 -5.023 1.00 0.00 C ATOM 115 O HIS A 8 -7.120 5.762 -4.505 1.00 0.00 O ATOM 116 CB HIS A 8 -7.142 8.636 -4.005 1.00 0.00 C ATOM 117 CG HIS A 8 -6.837 9.962 -3.381 1.00 0.00 C ATOM 118 ND1 HIS A 8 -7.187 11.164 -3.958 1.00 0.00 N ATOM 119 CD2 HIS A 8 -6.215 10.272 -2.219 1.00 0.00 C ATOM 120 CE1 HIS A 8 -6.793 12.156 -3.179 1.00 0.00 C ATOM 121 NE2 HIS A 8 -6.201 11.642 -2.118 1.00 0.00 N ATOM 0 H HIS A 8 -5.474 9.156 -5.905 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.361 7.584 -3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.721 8.796 -4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.769 8.059 -3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.806 9.573 -1.505 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.932 13.209 -3.377 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.798 12.175 -1.348 1.00 0.00 H new ATOM 130 N SER A 9 -5.702 6.253 -6.185 1.00 0.00 N ATOM 131 CA SER A 9 -5.996 5.037 -6.937 1.00 0.00 C ATOM 132 C SER A 9 -5.698 3.798 -6.102 1.00 0.00 C ATOM 133 O SER A 9 -5.005 3.874 -5.088 1.00 0.00 O ATOM 134 CB SER A 9 -5.179 5.002 -8.231 1.00 0.00 C ATOM 135 OG SER A 9 -5.494 6.104 -9.063 1.00 0.00 O ATOM 0 H SER A 9 -5.017 6.866 -6.626 1.00 0.00 H new ATOM 0 HA SER A 9 -7.057 5.040 -7.185 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.115 5.014 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.376 4.072 -8.764 1.00 0.00 H new ATOM 0 HG SER A 9 -4.902 6.104 -9.844 1.00 0.00 H new ATOM 141 N GLY A 10 -6.223 2.657 -6.533 1.00 0.00 N ATOM 142 CA GLY A 10 -6.002 1.421 -5.805 1.00 0.00 C ATOM 143 C GLY A 10 -4.533 1.055 -5.702 1.00 0.00 C ATOM 144 O GLY A 10 -3.994 0.936 -4.604 1.00 0.00 O ATOM 0 H GLY A 10 -6.796 2.565 -7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.420 1.515 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.540 0.612 -6.300 1.00 0.00 H new ATOM 148 N ALA A 11 -3.886 0.884 -6.849 1.00 0.00 N ATOM 149 CA ALA A 11 -2.473 0.515 -6.888 1.00 0.00 C ATOM 150 C ALA A 11 -1.603 1.502 -6.108 1.00 0.00 C ATOM 151 O ALA A 11 -0.603 1.119 -5.499 1.00 0.00 O ATOM 152 CB ALA A 11 -2.006 0.421 -8.332 1.00 0.00 C ATOM 0 H ALA A 11 -4.317 0.995 -7.767 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.367 -0.458 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.952 0.146 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.591 -0.336 -8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.140 1.386 -8.821 1.00 0.00 H new ATOM 158 N ARG A 12 -1.999 2.769 -6.126 1.00 0.00 N ATOM 159 CA ARG A 12 -1.257 3.820 -5.438 1.00 0.00 C ATOM 160 C ARG A 12 -1.361 3.662 -3.930 1.00 0.00 C ATOM 161 O ARG A 12 -0.357 3.560 -3.222 1.00 0.00 O ATOM 162 CB ARG A 12 -1.820 5.184 -5.838 1.00 0.00 C ATOM 163 CG ARG A 12 -0.768 6.264 -6.018 1.00 0.00 C ATOM 164 CD ARG A 12 -0.301 6.827 -4.686 1.00 0.00 C ATOM 165 NE ARG A 12 0.625 7.942 -4.866 1.00 0.00 N ATOM 166 CZ ARG A 12 0.978 8.773 -3.893 1.00 0.00 C ATOM 167 NH1 ARG A 12 0.495 8.613 -2.668 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.820 9.766 -4.143 1.00 0.00 N ATOM 0 H ARG A 12 -2.834 3.095 -6.612 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.208 3.745 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.376 5.076 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.531 5.508 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.085 5.853 -6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.175 7.069 -6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.164 7.160 -4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.184 6.040 -4.108 1.00 0.00 H new ATOM 0 HE ARG A 12 1.024 8.091 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.151 7.849 -2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.769 9.254 -1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.196 9.891 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.092 10.405 -3.396 1.00 0.00 H new ATOM 182 N VAL A 13 -2.595 3.635 -3.459 1.00 0.00 N ATOM 183 CA VAL A 13 -2.879 3.525 -2.042 1.00 0.00 C ATOM 184 C VAL A 13 -2.375 2.215 -1.431 1.00 0.00 C ATOM 185 O VAL A 13 -1.979 2.187 -0.267 1.00 0.00 O ATOM 186 CB VAL A 13 -4.392 3.657 -1.783 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.706 3.485 -0.310 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.902 4.999 -2.286 1.00 0.00 C ATOM 0 H VAL A 13 -3.426 3.689 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.342 4.341 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.902 2.865 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.780 3.583 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.379 2.498 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.184 4.250 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.972 5.076 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.382 5.804 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.718 5.080 -3.357 1.00 0.00 H new ATOM 198 N ILE A 14 -2.379 1.134 -2.208 1.00 0.00 N ATOM 199 CA ILE A 14 -1.950 -0.163 -1.692 1.00 0.00 C ATOM 200 C ILE A 14 -0.437 -0.250 -1.469 1.00 0.00 C ATOM 201 O ILE A 14 0.007 -0.615 -0.386 1.00 0.00 O ATOM 202 CB ILE A 14 -2.400 -1.326 -2.601 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.768 -1.223 -3.992 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.916 -1.362 -2.704 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.118 -2.380 -4.903 1.00 0.00 C ATOM 0 H ILE A 14 -2.671 1.129 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.439 -0.258 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.058 -2.257 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.089 -0.293 -4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.684 -1.169 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.217 -2.188 -3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.345 -1.501 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.274 -0.423 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.636 -2.240 -5.870 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.772 -3.312 -4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.199 -2.422 -5.039 1.00 0.00 H new ATOM 217 N LEU A 15 0.356 0.082 -2.481 1.00 0.00 N ATOM 218 CA LEU A 15 1.806 -0.010 -2.333 1.00 0.00 C ATOM 219 C LEU A 15 2.328 0.970 -1.283 1.00 0.00 C ATOM 220 O LEU A 15 3.291 0.675 -0.573 1.00 0.00 O ATOM 221 CB LEU A 15 2.499 0.232 -3.674 1.00 0.00 C ATOM 222 CG LEU A 15 1.955 -0.599 -4.835 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.372 0.007 -6.163 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.432 -2.040 -4.729 1.00 0.00 C ATOM 0 H LEU A 15 0.032 0.409 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 15 2.038 -1.019 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.409 1.288 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.562 0.021 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 15 0.866 -0.594 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.976 -0.597 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.980 1.021 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.460 0.033 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.035 -2.617 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.521 -2.066 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.082 -2.471 -3.791 1.00 0.00 H new ATOM 236 N LEU A 16 1.685 2.126 -1.176 1.00 0.00 N ATOM 237 CA LEU A 16 2.103 3.129 -0.222 1.00 0.00 C ATOM 238 C LEU A 16 1.761 2.702 1.198 1.00 0.00 C ATOM 239 O LEU A 16 2.566 2.833 2.125 1.00 0.00 O ATOM 240 CB LEU A 16 1.403 4.439 -0.550 1.00 0.00 C ATOM 241 CG LEU A 16 1.747 5.595 0.369 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.229 5.923 0.284 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.903 6.808 0.023 1.00 0.00 C ATOM 0 H LEU A 16 0.875 2.386 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 16 3.184 3.254 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.652 4.721 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.326 4.276 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 16 1.526 5.304 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.456 6.755 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.812 5.051 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.483 6.198 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.159 7.632 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.095 7.103 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.152 6.562 0.139 1.00 0.00 H new ATOM 255 N VAL A 17 0.554 2.190 1.355 1.00 0.00 N ATOM 256 CA VAL A 17 0.081 1.745 2.650 1.00 0.00 C ATOM 257 C VAL A 17 0.848 0.506 3.115 1.00 0.00 C ATOM 258 O VAL A 17 1.103 0.336 4.307 1.00 0.00 O ATOM 259 CB VAL A 17 -1.429 1.480 2.592 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.737 0.073 2.129 1.00 0.00 C ATOM 261 CG2 VAL A 17 -2.078 1.769 3.929 1.00 0.00 C ATOM 0 H VAL A 17 -0.118 2.072 0.597 1.00 0.00 H new ATOM 0 HA VAL A 17 0.263 2.532 3.381 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.852 2.161 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.817 -0.073 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.325 -0.080 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.291 -0.643 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.148 1.574 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.638 1.128 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.915 2.814 4.194 1.00 0.00 H new ATOM 271 N LEU A 18 1.208 -0.359 2.168 1.00 0.00 N ATOM 272 CA LEU A 18 1.989 -1.547 2.482 1.00 0.00 C ATOM 273 C LEU A 18 3.400 -1.126 2.848 1.00 0.00 C ATOM 274 O LEU A 18 4.095 -1.798 3.612 1.00 0.00 O ATOM 275 CB LEU A 18 2.036 -2.486 1.275 1.00 0.00 C ATOM 276 CG LEU A 18 0.920 -3.521 1.190 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.181 -4.666 2.154 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.441 -2.903 1.467 1.00 0.00 C ATOM 0 H LEU A 18 0.971 -0.257 1.181 1.00 0.00 H new ATOM 0 HA LEU A 18 1.525 -2.072 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.014 -1.881 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.991 -3.011 1.285 1.00 0.00 H new ATOM 0 HG LEU A 18 0.910 -3.909 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.374 -5.395 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.127 -5.145 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.229 -4.280 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.211 -3.672 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.448 -2.472 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.642 -2.121 0.734 1.00 0.00 H new ATOM 290 N TYR A 19 3.804 0.006 2.284 1.00 0.00 N ATOM 291 CA TYR A 19 5.138 0.550 2.516 1.00 0.00 C ATOM 292 C TYR A 19 5.399 0.796 3.995 1.00 0.00 C ATOM 293 O TYR A 19 6.293 0.188 4.574 1.00 0.00 O ATOM 294 CB TYR A 19 5.311 1.853 1.730 1.00 0.00 C ATOM 295 CG TYR A 19 6.658 2.519 1.908 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.775 2.074 1.213 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.806 3.603 2.764 1.00 0.00 C ATOM 298 CE1 TYR A 19 9.002 2.689 1.368 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.030 4.225 2.923 1.00 0.00 C ATOM 300 CZ TYR A 19 9.125 3.764 2.222 1.00 0.00 C ATOM 301 OH TYR A 19 10.346 4.380 2.379 1.00 0.00 O ATOM 0 H TYR A 19 3.225 0.568 1.660 1.00 0.00 H new ATOM 0 HA TYR A 19 5.863 -0.187 2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.159 1.646 0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.531 2.552 2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.683 1.234 0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.950 3.966 3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.862 2.329 0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.129 5.067 3.592 1.00 0.00 H new ATOM 0 HH TYR A 19 10.259 5.120 3.015 1.00 0.00 H new ATOM 311 N ARG A 20 4.588 1.640 4.616 1.00 0.00 N ATOM 312 CA ARG A 20 4.779 1.964 6.027 1.00 0.00 C ATOM 313 C ARG A 20 4.849 0.719 6.904 1.00 0.00 C ATOM 314 O ARG A 20 5.778 0.573 7.699 1.00 0.00 O ATOM 315 CB ARG A 20 3.658 2.878 6.510 1.00 0.00 C ATOM 316 CG ARG A 20 2.296 2.509 5.956 1.00 0.00 C ATOM 317 CD ARG A 20 1.301 3.636 6.152 1.00 0.00 C ATOM 318 NE ARG A 20 1.062 3.919 7.565 1.00 0.00 N ATOM 319 CZ ARG A 20 0.239 4.868 7.999 1.00 0.00 C ATOM 320 NH1 ARG A 20 -0.420 5.626 7.132 1.00 0.00 N ATOM 321 NH2 ARG A 20 0.075 5.061 9.300 1.00 0.00 N ATOM 0 H ARG A 20 3.798 2.110 4.173 1.00 0.00 H new ATOM 0 HA ARG A 20 5.737 2.477 6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.619 2.848 7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.890 3.905 6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.383 2.277 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.931 1.608 6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.671 4.536 5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.359 3.375 5.671 1.00 0.00 H new ATOM 0 HE ARG A 20 1.555 3.356 8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.296 5.481 6.130 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.051 6.354 7.467 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.581 4.481 9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.557 5.790 9.632 1.00 0.00 H new ATOM 335 N GLU A 21 3.881 -0.179 6.766 1.00 0.00 N ATOM 336 CA GLU A 21 3.883 -1.396 7.569 1.00 0.00 C ATOM 337 C GLU A 21 5.133 -2.222 7.288 1.00 0.00 C ATOM 338 O GLU A 21 5.604 -2.967 8.143 1.00 0.00 O ATOM 339 CB GLU A 21 2.635 -2.234 7.301 1.00 0.00 C ATOM 340 CG GLU A 21 2.480 -3.392 8.273 1.00 0.00 C ATOM 341 CD GLU A 21 2.253 -2.928 9.698 1.00 0.00 C ATOM 342 OE1 GLU A 21 3.243 -2.579 10.374 1.00 0.00 O ATOM 343 OE2 GLU A 21 1.084 -2.910 10.137 1.00 0.00 O ATOM 0 H GLU A 21 3.098 -0.091 6.118 1.00 0.00 H new ATOM 0 HA GLU A 21 3.881 -1.101 8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.754 -1.595 7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.676 -2.623 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.643 -4.015 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.373 -4.016 8.235 1.00 0.00 H new ATOM 350 N HIS A 22 5.654 -2.093 6.075 1.00 0.00 N ATOM 351 CA HIS A 22 6.854 -2.833 5.705 1.00 0.00 C ATOM 352 C HIS A 22 8.071 -2.278 6.436 1.00 0.00 C ATOM 353 O HIS A 22 8.954 -3.028 6.852 1.00 0.00 O ATOM 354 CB HIS A 22 7.063 -2.784 4.194 1.00 0.00 C ATOM 355 CG HIS A 22 8.329 -3.440 3.734 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.369 -4.713 3.208 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.606 -2.986 3.712 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.615 -5.016 2.884 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.384 -3.985 3.180 1.00 0.00 N ATOM 0 H HIS A 22 5.273 -1.494 5.342 1.00 0.00 H new ATOM 0 HA HIS A 22 6.725 -3.874 6.001 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.217 -3.266 3.704 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.067 -1.743 3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.948 -2.019 4.050 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.947 -5.948 2.451 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.393 -3.938 3.037 1.00 0.00 H new ATOM 368 N LEU A 23 8.111 -0.958 6.588 1.00 0.00 N ATOM 369 CA LEU A 23 9.220 -0.317 7.285 1.00 0.00 C ATOM 370 C LEU A 23 9.178 -0.629 8.775 1.00 0.00 C ATOM 371 O LEU A 23 10.032 -0.178 9.536 1.00 0.00 O ATOM 372 CB LEU A 23 9.188 1.197 7.073 1.00 0.00 C ATOM 373 CG LEU A 23 9.689 1.670 5.710 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.690 1.336 4.617 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.976 3.163 5.737 1.00 0.00 C ATOM 0 H LEU A 23 7.397 -0.317 6.242 1.00 0.00 H new ATOM 0 HA LEU A 23 10.147 -0.713 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.164 1.546 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.790 1.670 7.849 1.00 0.00 H new ATOM 0 HG LEU A 23 10.617 1.144 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.071 1.684 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.540 0.257 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.740 1.827 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.332 3.483 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.063 3.704 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.739 3.373 6.487 1.00 0.00 H new ATOM 387 N ASN A 24 8.175 -1.401 9.181 1.00 0.00 N ATOM 388 CA ASN A 24 8.015 -1.773 10.585 1.00 0.00 C ATOM 389 C ASN A 24 8.948 -2.921 10.972 1.00 0.00 C ATOM 390 O ASN A 24 8.751 -4.059 10.546 1.00 0.00 O ATOM 391 CB ASN A 24 6.565 -2.163 10.877 1.00 0.00 C ATOM 392 CG ASN A 24 5.671 -0.951 11.052 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.134 -0.415 10.085 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.510 -0.511 12.293 1.00 0.00 N ATOM 0 H ASN A 24 7.461 -1.781 8.560 1.00 0.00 H new ATOM 0 HA ASN A 24 8.280 -0.902 11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.185 -2.778 10.062 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.529 -2.772 11.780 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.922 0.302 12.473 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.975 -0.986 13.067 1.00 0.00 H new ATOM 401 N PRO A 25 9.980 -2.634 11.789 1.00 0.00 N ATOM 402 CA PRO A 25 10.940 -3.646 12.244 1.00 0.00 C ATOM 403 C PRO A 25 10.293 -4.717 13.111 1.00 0.00 C ATOM 404 O PRO A 25 10.674 -5.886 13.060 1.00 0.00 O ATOM 405 CB PRO A 25 11.948 -2.853 13.082 1.00 0.00 C ATOM 406 CG PRO A 25 11.750 -1.428 12.697 1.00 0.00 C ATOM 407 CD PRO A 25 10.303 -1.301 12.321 1.00 0.00 C ATOM 0 HA PRO A 25 11.382 -4.174 11.399 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.774 -3.000 14.148 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.969 -3.177 12.878 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.999 -0.762 13.523 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.396 -1.156 11.862 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.683 -1.049 13.182 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.147 -0.521 11.576 1.00 0.00 H new ATOM 415 N ASN A 26 9.312 -4.309 13.909 1.00 0.00 N ATOM 416 CA ASN A 26 8.642 -5.255 14.792 1.00 0.00 C ATOM 417 C ASN A 26 7.167 -5.407 14.435 1.00 0.00 C ATOM 418 O ASN A 26 6.494 -6.327 14.901 1.00 0.00 O ATOM 419 CB ASN A 26 8.787 -4.813 16.250 1.00 0.00 C ATOM 420 CG ASN A 26 8.146 -5.789 17.219 1.00 0.00 C ATOM 421 OD1 ASN A 26 8.787 -6.730 17.685 1.00 0.00 O ATOM 422 ND2 ASN A 26 6.874 -5.566 17.529 1.00 0.00 N ATOM 0 H ASN A 26 8.969 -3.350 13.963 1.00 0.00 H new ATOM 0 HA ASN A 26 9.120 -6.226 14.662 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.845 -4.708 16.491 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.333 -3.830 16.375 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.391 -6.188 18.177 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.381 -4.773 17.119 1.00 0.00 H new ATOM 429 N GLY A 27 6.675 -4.502 13.604 1.00 0.00 N ATOM 430 CA GLY A 27 5.283 -4.546 13.194 1.00 0.00 C ATOM 431 C GLY A 27 5.090 -5.292 11.889 1.00 0.00 C ATOM 432 O GLY A 27 4.261 -4.907 11.064 1.00 0.00 O ATOM 0 H GLY A 27 7.215 -3.735 13.204 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.692 -5.025 13.974 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.906 -3.529 13.088 1.00 0.00 H new ATOM 436 N HIS A 28 5.860 -6.361 11.705 1.00 0.00 N ATOM 437 CA HIS A 28 5.771 -7.161 10.488 1.00 0.00 C ATOM 438 C HIS A 28 6.119 -6.322 9.263 1.00 0.00 C ATOM 439 O HIS A 28 6.544 -5.173 9.386 1.00 0.00 O ATOM 440 CB HIS A 28 4.366 -7.750 10.334 1.00 0.00 C ATOM 441 CG HIS A 28 3.943 -8.600 11.492 1.00 0.00 C ATOM 442 ND1 HIS A 28 4.235 -9.944 11.586 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.243 -8.290 12.609 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.733 -10.425 12.710 1.00 0.00 C ATOM 445 NE2 HIS A 28 3.127 -9.441 13.349 1.00 0.00 N ATOM 0 H HIS A 28 6.549 -6.692 12.380 1.00 0.00 H new ATOM 0 HA HIS A 28 6.489 -7.977 10.568 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.651 -6.936 10.211 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.329 -8.347 9.423 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.849 -7.319 12.869 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.806 -11.448 13.048 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.650 -9.523 14.247 1.00 0.00 H new ATOM 454 N HIS A 29 5.938 -6.904 8.083 1.00 0.00 N ATOM 455 CA HIS A 29 6.232 -6.208 6.836 1.00 0.00 C ATOM 456 C HIS A 29 5.164 -6.507 5.789 1.00 0.00 C ATOM 457 O HIS A 29 5.447 -6.572 4.593 1.00 0.00 O ATOM 458 CB HIS A 29 7.611 -6.616 6.315 1.00 0.00 C ATOM 459 CG HIS A 29 7.753 -8.088 6.077 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.257 -8.958 7.019 1.00 0.00 N ATOM 461 CD2 HIS A 29 7.454 -8.841 4.992 1.00 0.00 C ATOM 462 CE1 HIS A 29 8.264 -10.184 6.525 1.00 0.00 C ATOM 463 NE2 HIS A 29 7.781 -10.140 5.297 1.00 0.00 N ATOM 0 H HIS A 29 5.589 -7.855 7.964 1.00 0.00 H new ATOM 0 HA HIS A 29 6.232 -5.136 7.032 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.809 -6.085 5.384 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.369 -6.298 7.031 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.037 -8.487 4.061 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.606 -11.070 7.038 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.669 -10.941 4.675 1.00 0.00 H new ATOM 472 N PHE A 30 3.928 -6.669 6.251 1.00 0.00 N ATOM 473 CA PHE A 30 2.807 -6.974 5.362 1.00 0.00 C ATOM 474 C PHE A 30 1.480 -6.532 5.967 1.00 0.00 C ATOM 475 O PHE A 30 1.419 -6.112 7.123 1.00 0.00 O ATOM 476 CB PHE A 30 2.739 -8.478 5.075 1.00 0.00 C ATOM 477 CG PHE A 30 2.557 -9.317 6.309 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.286 -9.629 6.765 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.652 -9.790 7.012 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.110 -10.397 7.899 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.482 -10.560 8.148 1.00 0.00 C ATOM 482 CZ PHE A 30 2.210 -10.864 8.591 1.00 0.00 C ATOM 0 H PHE A 30 3.675 -6.595 7.236 1.00 0.00 H new ATOM 0 HA PHE A 30 2.976 -6.426 4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.915 -8.672 4.389 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.654 -8.785 4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.422 -9.267 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.649 -9.555 6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.114 -10.632 8.244 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.344 -10.923 8.688 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.076 -11.466 9.477 1.00 0.00 H new ATOM 492 N LEU A 31 0.420 -6.643 5.171 1.00 0.00 N ATOM 493 CA LEU A 31 -0.914 -6.274 5.615 1.00 0.00 C ATOM 494 C LEU A 31 -1.976 -6.997 4.793 1.00 0.00 C ATOM 495 O LEU A 31 -1.791 -7.239 3.600 1.00 0.00 O ATOM 496 CB LEU A 31 -1.120 -4.767 5.488 1.00 0.00 C ATOM 497 CG LEU A 31 -0.454 -3.914 6.565 1.00 0.00 C ATOM 498 CD1 LEU A 31 -0.682 -2.437 6.289 1.00 0.00 C ATOM 499 CD2 LEU A 31 -0.976 -4.286 7.945 1.00 0.00 C ATOM 0 H LEU A 31 0.463 -6.987 4.212 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.011 -6.566 6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.745 -4.448 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.191 -4.563 5.500 1.00 0.00 H new ATOM 0 HG LEU A 31 0.618 -4.109 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.201 -1.843 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.257 -2.178 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.752 -2.229 6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.488 -3.666 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.053 -4.123 7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.761 -5.336 8.145 1.00 0.00 H new ATOM 511 N THR A 32 -3.088 -7.341 5.435 1.00 0.00 N ATOM 512 CA THR A 32 -4.176 -8.019 4.743 1.00 0.00 C ATOM 513 C THR A 32 -5.149 -6.992 4.176 1.00 0.00 C ATOM 514 O THR A 32 -5.248 -5.882 4.693 1.00 0.00 O ATOM 515 CB THR A 32 -4.934 -8.980 5.678 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.572 -8.244 6.727 1.00 0.00 O ATOM 517 CG2 THR A 32 -3.984 -10.007 6.279 1.00 0.00 C ATOM 0 H THR A 32 -3.258 -7.163 6.425 1.00 0.00 H new ATOM 0 HA THR A 32 -3.739 -8.606 3.935 1.00 0.00 H new ATOM 0 HB THR A 32 -5.690 -9.503 5.091 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.053 -8.863 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.540 -10.676 6.936 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.521 -10.586 5.480 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.210 -9.496 6.852 1.00 0.00 H new ATOM 525 N LYS A 33 -5.866 -7.364 3.118 1.00 0.00 N ATOM 526 CA LYS A 33 -6.808 -6.427 2.507 1.00 0.00 C ATOM 527 C LYS A 33 -7.760 -5.845 3.545 1.00 0.00 C ATOM 528 O LYS A 33 -8.212 -4.707 3.415 1.00 0.00 O ATOM 529 CB LYS A 33 -7.612 -7.113 1.402 1.00 0.00 C ATOM 530 CG LYS A 33 -7.772 -6.257 0.156 1.00 0.00 C ATOM 531 CD LYS A 33 -8.772 -6.856 -0.818 1.00 0.00 C ATOM 532 CE LYS A 33 -8.741 -6.136 -2.158 1.00 0.00 C ATOM 533 NZ LYS A 33 -7.446 -6.342 -2.862 1.00 0.00 N ATOM 0 H LYS A 33 -5.817 -8.281 2.675 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.226 -5.613 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.121 -8.048 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.599 -7.371 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.098 -5.257 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.806 -6.149 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.550 -7.913 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.775 -6.797 -0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.557 -6.496 -2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.905 -5.070 -2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.480 -5.880 -3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.675 -5.930 -2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.277 -7.361 -2.987 1.00 0.00 H new ATOM 547 N GLU A 34 -8.059 -6.627 4.573 1.00 0.00 N ATOM 548 CA GLU A 34 -8.945 -6.177 5.637 1.00 0.00 C ATOM 549 C GLU A 34 -8.271 -5.087 6.465 1.00 0.00 C ATOM 550 O GLU A 34 -8.918 -4.140 6.912 1.00 0.00 O ATOM 551 CB GLU A 34 -9.336 -7.352 6.534 1.00 0.00 C ATOM 552 CG GLU A 34 -10.079 -8.456 5.802 1.00 0.00 C ATOM 553 CD GLU A 34 -11.380 -7.976 5.189 1.00 0.00 C ATOM 554 OE1 GLU A 34 -12.419 -8.032 5.881 1.00 0.00 O ATOM 555 OE2 GLU A 34 -11.361 -7.542 4.018 1.00 0.00 O ATOM 0 H GLU A 34 -7.702 -7.575 4.693 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.847 -5.765 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.436 -7.769 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.960 -6.984 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.440 -8.861 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.287 -9.271 6.496 1.00 0.00 H new ATOM 562 N GLU A 35 -6.963 -5.231 6.660 1.00 0.00 N ATOM 563 CA GLU A 35 -6.193 -4.259 7.428 1.00 0.00 C ATOM 564 C GLU A 35 -6.020 -2.971 6.637 1.00 0.00 C ATOM 565 O GLU A 35 -6.068 -1.876 7.195 1.00 0.00 O ATOM 566 CB GLU A 35 -4.824 -4.830 7.804 1.00 0.00 C ATOM 567 CG GLU A 35 -4.898 -6.008 8.761 1.00 0.00 C ATOM 568 CD GLU A 35 -3.532 -6.579 9.091 1.00 0.00 C ATOM 569 OE1 GLU A 35 -2.907 -6.102 10.062 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.087 -7.502 8.376 1.00 0.00 O ATOM 0 H GLU A 35 -6.415 -6.011 6.297 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.742 -4.038 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.308 -5.142 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.223 -4.042 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.388 -5.693 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.518 -6.790 8.322 1.00 0.00 H new ATOM 577 N LEU A 36 -5.826 -3.114 5.330 1.00 0.00 N ATOM 578 CA LEU A 36 -5.646 -1.956 4.466 1.00 0.00 C ATOM 579 C LEU A 36 -6.819 -0.994 4.590 1.00 0.00 C ATOM 580 O LEU A 36 -6.662 0.208 4.418 1.00 0.00 O ATOM 581 CB LEU A 36 -5.491 -2.398 3.012 1.00 0.00 C ATOM 582 CG LEU A 36 -4.566 -3.594 2.785 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.398 -3.881 1.302 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.214 -3.356 3.433 1.00 0.00 C ATOM 0 H LEU A 36 -5.790 -4.013 4.850 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.740 -1.439 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.477 -2.643 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.116 -1.555 2.432 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.026 -4.466 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.735 -4.736 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.370 -4.104 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.968 -3.009 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.571 -4.219 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.754 -2.468 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.345 -3.210 4.505 1.00 0.00 H new ATOM 596 N LEU A 37 -8.001 -1.532 4.869 1.00 0.00 N ATOM 597 CA LEU A 37 -9.193 -0.706 5.020 1.00 0.00 C ATOM 598 C LEU A 37 -8.973 0.368 6.084 1.00 0.00 C ATOM 599 O LEU A 37 -9.314 1.534 5.885 1.00 0.00 O ATOM 600 CB LEU A 37 -10.397 -1.577 5.390 1.00 0.00 C ATOM 601 CG LEU A 37 -10.739 -2.676 4.381 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.907 -3.511 4.880 1.00 0.00 C ATOM 603 CD2 LEU A 37 -11.056 -2.074 3.020 1.00 0.00 C ATOM 0 H LEU A 37 -8.159 -2.532 4.995 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.393 -0.213 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.206 -2.041 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.268 -0.933 5.511 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.871 -3.326 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.137 -4.288 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.644 -3.973 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.779 -2.872 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.297 -2.871 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.908 -1.400 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.191 -1.519 2.657 1.00 0.00 H new ATOM 615 N GLN A 38 -8.409 -0.040 7.215 1.00 0.00 N ATOM 616 CA GLN A 38 -8.142 0.896 8.304 1.00 0.00 C ATOM 617 C GLN A 38 -6.941 1.773 7.970 1.00 0.00 C ATOM 618 O GLN A 38 -6.959 2.986 8.182 1.00 0.00 O ATOM 619 CB GLN A 38 -7.890 0.137 9.609 1.00 0.00 C ATOM 620 CG GLN A 38 -7.638 1.044 10.803 1.00 0.00 C ATOM 621 CD GLN A 38 -7.395 0.269 12.083 1.00 0.00 C ATOM 622 OE1 GLN A 38 -6.259 -0.071 12.411 1.00 0.00 O ATOM 623 NE2 GLN A 38 -8.466 -0.014 12.815 1.00 0.00 N ATOM 0 H GLN A 38 -8.130 -1.003 7.402 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.017 1.534 8.431 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.750 -0.499 9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.032 -0.522 9.476 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.776 1.678 10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.494 1.705 10.940 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.390 0.288 12.505 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.365 -0.533 13.687 1.00 0.00 H new ATOM 632 N ARG A 39 -5.901 1.137 7.449 1.00 0.00 N ATOM 633 CA ARG A 39 -4.672 1.827 7.075 1.00 0.00 C ATOM 634 C ARG A 39 -4.942 2.941 6.070 1.00 0.00 C ATOM 635 O ARG A 39 -4.564 4.094 6.281 1.00 0.00 O ATOM 636 CB ARG A 39 -3.707 0.822 6.460 1.00 0.00 C ATOM 637 CG ARG A 39 -3.417 -0.376 7.338 1.00 0.00 C ATOM 638 CD ARG A 39 -2.483 -0.024 8.484 1.00 0.00 C ATOM 639 NE ARG A 39 -3.137 0.805 9.493 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.515 1.296 10.561 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.228 1.046 10.758 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.181 2.040 11.434 1.00 0.00 N ATOM 0 H ARG A 39 -5.884 0.132 7.274 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.243 2.274 7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.118 0.473 5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.769 1.328 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.352 -0.768 7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.971 -1.168 6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.119 -0.940 8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.612 0.502 8.093 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.127 1.020 9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.711 0.475 10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.755 1.425 11.578 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.171 2.236 11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.703 2.416 12.253 1.00 0.00 H new ATOM 656 N CYS A 40 -5.598 2.576 4.979 1.00 0.00 N ATOM 657 CA CYS A 40 -5.929 3.522 3.916 1.00 0.00 C ATOM 658 C CYS A 40 -6.757 4.680 4.457 1.00 0.00 C ATOM 659 O CYS A 40 -6.676 5.801 3.955 1.00 0.00 O ATOM 660 CB CYS A 40 -6.687 2.821 2.787 1.00 0.00 C ATOM 661 SG CYS A 40 -8.359 2.294 3.229 1.00 0.00 S ATOM 0 H CYS A 40 -5.916 1.623 4.803 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.995 3.919 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.745 3.494 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.116 1.949 2.468 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.495 2.322 4.522 1.00 0.00 H new ATOM 667 N ALA A 41 -7.564 4.398 5.475 1.00 0.00 N ATOM 668 CA ALA A 41 -8.409 5.420 6.081 1.00 0.00 C ATOM 669 C ALA A 41 -7.585 6.584 6.629 1.00 0.00 C ATOM 670 O ALA A 41 -8.144 7.578 7.093 1.00 0.00 O ATOM 671 CB ALA A 41 -9.262 4.816 7.185 1.00 0.00 C ATOM 0 H ALA A 41 -7.650 3.473 5.896 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.060 5.813 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.887 5.592 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.896 4.033 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.616 4.390 7.952 1.00 0.00 H new ATOM 677 N GLN A 42 -6.260 6.462 6.575 1.00 0.00 N ATOM 678 CA GLN A 42 -5.423 7.542 7.082 1.00 0.00 C ATOM 679 C GLN A 42 -4.927 8.389 5.914 1.00 0.00 C ATOM 680 O GLN A 42 -4.593 9.564 6.072 1.00 0.00 O ATOM 681 CB GLN A 42 -4.237 6.981 7.868 1.00 0.00 C ATOM 682 CG GLN A 42 -4.644 6.144 9.070 1.00 0.00 C ATOM 683 CD GLN A 42 -3.452 5.605 9.835 1.00 0.00 C ATOM 684 OE1 GLN A 42 -2.960 4.514 9.550 1.00 0.00 O ATOM 685 NE2 GLN A 42 -2.982 6.369 10.814 1.00 0.00 N ATOM 0 H GLN A 42 -5.759 5.657 6.200 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.014 8.163 7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.626 6.372 7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.612 7.808 8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.257 6.749 9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.263 5.312 8.736 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.421 7.267 11.016 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.182 6.058 11.364 1.00 0.00 H new ATOM 694 N LYS A 43 -4.881 7.761 4.738 1.00 0.00 N ATOM 695 CA LYS A 43 -4.438 8.416 3.510 1.00 0.00 C ATOM 696 C LYS A 43 -5.131 9.761 3.333 1.00 0.00 C ATOM 697 O LYS A 43 -4.516 10.817 3.481 1.00 0.00 O ATOM 698 CB LYS A 43 -4.742 7.518 2.312 1.00 0.00 C ATOM 699 CG LYS A 43 -4.038 7.937 1.034 1.00 0.00 C ATOM 700 CD LYS A 43 -3.216 6.792 0.472 1.00 0.00 C ATOM 701 CE LYS A 43 -2.468 7.198 -0.785 1.00 0.00 C ATOM 702 NZ LYS A 43 -1.677 8.444 -0.583 1.00 0.00 N ATOM 0 H LYS A 43 -5.150 6.785 4.612 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.364 8.588 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.454 6.495 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.818 7.514 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.774 8.259 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.391 8.792 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.504 6.452 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.871 5.950 0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.802 6.390 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.179 7.347 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.129 9.229 -1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.637 8.669 0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.712 8.305 -0.945 1.00 0.00 H new ATOM 885 N PRO A 56 -9.821 -5.284 -6.168 1.00 0.00 N ATOM 886 CA PRO A 56 -9.161 -6.524 -6.596 1.00 0.00 C ATOM 887 C PRO A 56 -7.901 -6.227 -7.403 1.00 0.00 C ATOM 888 O PRO A 56 -7.171 -7.136 -7.802 1.00 0.00 O ATOM 889 CB PRO A 56 -10.208 -7.216 -7.474 1.00 0.00 C ATOM 890 CG PRO A 56 -11.510 -6.657 -7.026 1.00 0.00 C ATOM 891 CD PRO A 56 -11.230 -5.239 -6.611 1.00 0.00 C ATOM 0 HA PRO A 56 -8.841 -7.135 -5.752 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.034 -7.014 -8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.178 -8.298 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.246 -6.691 -7.829 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.917 -7.234 -6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.369 -4.543 -7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.893 -4.917 -5.809 1.00 0.00 H new ATOM 899 N ALA A 57 -7.666 -4.938 -7.639 1.00 0.00 N ATOM 900 CA ALA A 57 -6.504 -4.475 -8.384 1.00 0.00 C ATOM 901 C ALA A 57 -5.215 -5.099 -7.854 1.00 0.00 C ATOM 902 O ALA A 57 -4.205 -5.142 -8.555 1.00 0.00 O ATOM 903 CB ALA A 57 -6.434 -2.958 -8.320 1.00 0.00 C ATOM 0 H ALA A 57 -8.278 -4.187 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.610 -4.788 -9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.564 -2.610 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.338 -2.533 -8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.349 -2.641 -7.281 1.00 0.00 H new ATOM 909 N LEU A 58 -5.253 -5.577 -6.611 1.00 0.00 N ATOM 910 CA LEU A 58 -4.088 -6.209 -6.001 1.00 0.00 C ATOM 911 C LEU A 58 -3.550 -7.321 -6.894 1.00 0.00 C ATOM 912 O LEU A 58 -2.357 -7.373 -7.186 1.00 0.00 O ATOM 913 CB LEU A 58 -4.446 -6.775 -4.623 1.00 0.00 C ATOM 914 CG LEU A 58 -4.190 -5.839 -3.441 1.00 0.00 C ATOM 915 CD1 LEU A 58 -2.704 -5.542 -3.311 1.00 0.00 C ATOM 916 CD2 LEU A 58 -4.981 -4.548 -3.595 1.00 0.00 C ATOM 0 H LEU A 58 -6.076 -5.538 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.314 -5.451 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.501 -7.050 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.878 -7.692 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.525 -6.337 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.539 -4.875 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.160 -6.473 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.347 -5.066 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.784 -3.897 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.680 -4.045 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.046 -4.777 -3.638 1.00 0.00 H new ATOM 928 N ARG A 59 -4.445 -8.203 -7.323 1.00 0.00 N ATOM 929 CA ARG A 59 -4.071 -9.314 -8.191 1.00 0.00 C ATOM 930 C ARG A 59 -3.363 -8.812 -9.446 1.00 0.00 C ATOM 931 O ARG A 59 -2.513 -9.503 -10.009 1.00 0.00 O ATOM 932 CB ARG A 59 -5.310 -10.122 -8.581 1.00 0.00 C ATOM 933 CG ARG A 59 -6.038 -10.731 -7.395 1.00 0.00 C ATOM 934 CD ARG A 59 -7.249 -11.537 -7.837 1.00 0.00 C ATOM 935 NE ARG A 59 -7.957 -12.127 -6.704 1.00 0.00 N ATOM 936 CZ ARG A 59 -9.025 -12.909 -6.827 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.508 -13.194 -8.030 1.00 0.00 N ATOM 938 NH2 ARG A 59 -9.612 -13.408 -5.748 1.00 0.00 N ATOM 0 H ARG A 59 -5.436 -8.171 -7.084 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.383 -9.956 -7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.998 -9.476 -9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.014 -10.919 -9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.355 -11.374 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.355 -9.939 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.929 -10.893 -8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.930 -12.327 -8.517 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.612 -11.928 -5.765 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.060 -12.813 -8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.328 -13.794 -8.121 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.244 -13.192 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.431 -14.008 -5.844 1.00 0.00 H new ATOM 952 N SER A 60 -3.717 -7.605 -9.880 1.00 0.00 N ATOM 953 CA SER A 60 -3.109 -7.016 -11.066 1.00 0.00 C ATOM 954 C SER A 60 -1.644 -6.676 -10.811 1.00 0.00 C ATOM 955 O SER A 60 -0.783 -6.937 -11.650 1.00 0.00 O ATOM 956 CB SER A 60 -3.868 -5.759 -11.490 1.00 0.00 C ATOM 957 OG SER A 60 -3.319 -5.205 -12.673 1.00 0.00 O ATOM 0 H SER A 60 -4.419 -7.019 -9.429 1.00 0.00 H new ATOM 0 HA SER A 60 -3.162 -7.749 -11.871 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.918 -6.002 -11.652 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.832 -5.021 -10.689 1.00 0.00 H new ATOM 0 HG SER A 60 -3.824 -4.403 -12.923 1.00 0.00 H new ATOM 963 N LEU A 61 -1.367 -6.090 -9.649 1.00 0.00 N ATOM 964 CA LEU A 61 -0.001 -5.727 -9.293 1.00 0.00 C ATOM 965 C LEU A 61 0.810 -6.964 -8.934 1.00 0.00 C ATOM 966 O LEU A 61 1.997 -7.050 -9.249 1.00 0.00 O ATOM 967 CB LEU A 61 0.013 -4.724 -8.143 1.00 0.00 C ATOM 968 CG LEU A 61 -0.389 -3.303 -8.528 1.00 0.00 C ATOM 969 CD1 LEU A 61 -1.902 -3.150 -8.513 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.269 -2.304 -7.597 1.00 0.00 C ATOM 0 H LEU A 61 -2.066 -5.858 -8.943 1.00 0.00 H new ATOM 0 HA LEU A 61 0.459 -5.256 -10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.660 -5.078 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.014 -4.699 -7.713 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.045 -3.104 -9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.167 -2.130 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.345 -3.846 -9.225 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.279 -3.364 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.025 -1.294 -7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.047 -2.499 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.352 -2.400 -7.667 1.00 0.00 H new ATOM 982 N LEU A 62 0.165 -7.918 -8.264 1.00 0.00 N ATOM 983 CA LEU A 62 0.836 -9.161 -7.905 1.00 0.00 C ATOM 984 C LEU A 62 1.444 -9.766 -9.161 1.00 0.00 C ATOM 985 O LEU A 62 2.472 -10.440 -9.114 1.00 0.00 O ATOM 986 CB LEU A 62 -0.150 -10.145 -7.274 1.00 0.00 C ATOM 987 CG LEU A 62 -0.761 -9.713 -5.937 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.967 -10.577 -5.609 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.264 -9.809 -4.816 1.00 0.00 C ATOM 0 H LEU A 62 -0.808 -7.854 -7.963 1.00 0.00 H new ATOM 0 HA LEU A 62 1.617 -8.952 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.960 -10.322 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.360 -11.097 -7.128 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.078 -8.674 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.393 -10.261 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.715 -10.471 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.659 -11.620 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.193 -9.497 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.610 -10.839 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.110 -9.160 -5.040 1.00 0.00 H new ATOM 1001 N HIS A 63 0.782 -9.509 -10.286 1.00 0.00 N ATOM 1002 CA HIS A 63 1.247 -9.992 -11.573 1.00 0.00 C ATOM 1003 C HIS A 63 2.548 -9.292 -11.940 1.00 0.00 C ATOM 1004 O HIS A 63 3.498 -9.925 -12.402 1.00 0.00 O ATOM 1005 CB HIS A 63 0.186 -9.739 -12.645 1.00 0.00 C ATOM 1006 CG HIS A 63 0.550 -10.280 -13.993 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.140 -11.517 -14.443 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.288 -9.744 -14.993 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.611 -11.718 -15.662 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.311 -10.657 -16.018 1.00 0.00 N ATOM 0 H HIS A 63 -0.081 -8.967 -10.327 1.00 0.00 H new ATOM 0 HA HIS A 63 1.426 -11.065 -11.511 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.755 -10.188 -12.325 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.015 -8.666 -12.728 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.770 -8.777 -14.986 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.450 -12.600 -16.264 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.791 -10.535 -16.910 1.00 0.00 H new ATOM 1019 N ARG A 64 2.583 -7.977 -11.730 1.00 0.00 N ATOM 1020 CA ARG A 64 3.774 -7.192 -12.010 1.00 0.00 C ATOM 1021 C ARG A 64 4.832 -7.488 -10.956 1.00 0.00 C ATOM 1022 O ARG A 64 5.982 -7.064 -11.068 1.00 0.00 O ATOM 1023 CB ARG A 64 3.433 -5.703 -12.017 1.00 0.00 C ATOM 1024 CG ARG A 64 2.343 -5.333 -13.009 1.00 0.00 C ATOM 1025 CD ARG A 64 2.803 -5.526 -14.445 1.00 0.00 C ATOM 1026 NE ARG A 64 3.963 -4.698 -14.764 1.00 0.00 N ATOM 1027 CZ ARG A 64 4.587 -4.721 -15.939 1.00 0.00 C ATOM 1028 NH1 ARG A 64 4.165 -5.529 -16.903 1.00 0.00 N ATOM 1029 NH2 ARG A 64 5.634 -3.936 -16.150 1.00 0.00 N ATOM 0 H ARG A 64 1.798 -7.437 -11.367 1.00 0.00 H new ATOM 0 HA ARG A 64 4.162 -7.460 -12.993 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.118 -5.406 -11.017 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.333 -5.134 -12.250 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.460 -5.944 -12.824 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.049 -4.294 -12.857 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.050 -6.575 -14.609 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.986 -5.282 -15.123 1.00 0.00 H new ATOM 0 HE ARG A 64 4.315 -4.066 -14.045 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.360 -6.135 -16.745 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.646 -5.544 -17.803 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.962 -3.314 -15.411 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.112 -3.954 -17.051 1.00 0.00 H new ATOM 1043 N ASN A 65 4.413 -8.221 -9.927 1.00 0.00 N ATOM 1044 CA ASN A 65 5.282 -8.615 -8.834 1.00 0.00 C ATOM 1045 C ASN A 65 5.737 -7.426 -7.997 1.00 0.00 C ATOM 1046 O ASN A 65 6.727 -7.520 -7.276 1.00 0.00 O ATOM 1047 CB ASN A 65 6.489 -9.393 -9.351 1.00 0.00 C ATOM 1048 CG ASN A 65 7.106 -10.247 -8.264 1.00 0.00 C ATOM 1049 OD1 ASN A 65 8.297 -10.556 -8.298 1.00 0.00 O ATOM 1050 ND2 ASN A 65 6.290 -10.625 -7.284 1.00 0.00 N ATOM 0 H ASN A 65 3.455 -8.557 -9.833 1.00 0.00 H new ATOM 0 HA ASN A 65 4.695 -9.264 -8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.185 -10.027 -10.184 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.234 -8.697 -9.735 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.645 -11.196 -6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.310 -10.344 -7.300 1.00 0.00 H new ATOM 1057 N LEU A 66 5.024 -6.307 -8.097 1.00 0.00 N ATOM 1058 CA LEU A 66 5.359 -5.140 -7.289 1.00 0.00 C ATOM 1059 C LEU A 66 4.866 -5.395 -5.875 1.00 0.00 C ATOM 1060 O LEU A 66 5.330 -4.792 -4.908 1.00 0.00 O ATOM 1061 CB LEU A 66 4.716 -3.866 -7.833 1.00 0.00 C ATOM 1062 CG LEU A 66 4.716 -3.712 -9.356 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.343 -2.290 -9.734 1.00 0.00 C ATOM 1064 CD2 LEU A 66 6.071 -4.069 -9.945 1.00 0.00 C ATOM 0 H LEU A 66 4.224 -6.185 -8.718 1.00 0.00 H new ATOM 0 HA LEU A 66 6.439 -4.992 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.684 -3.826 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.233 -3.009 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 66 3.977 -4.400 -9.766 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.346 -2.189 -10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.349 -2.060 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.067 -1.597 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.040 -3.950 -11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.833 -3.410 -9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.313 -5.103 -9.701 1.00 0.00 H new ATOM 1076 N VAL A 67 3.906 -6.306 -5.793 1.00 0.00 N ATOM 1077 CA VAL A 67 3.323 -6.711 -4.527 1.00 0.00 C ATOM 1078 C VAL A 67 3.447 -8.226 -4.369 1.00 0.00 C ATOM 1079 O VAL A 67 3.479 -8.956 -5.360 1.00 0.00 O ATOM 1080 CB VAL A 67 1.840 -6.297 -4.441 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.104 -6.680 -5.707 1.00 0.00 C ATOM 1082 CG2 VAL A 67 1.181 -6.923 -3.225 1.00 0.00 C ATOM 0 H VAL A 67 3.511 -6.783 -6.604 1.00 0.00 H new ATOM 0 HA VAL A 67 3.863 -6.211 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 67 1.792 -5.213 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.059 -6.379 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.561 -6.178 -6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.161 -7.759 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.135 -6.619 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.241 -8.009 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.693 -6.591 -2.322 1.00 0.00 H new ATOM 1092 N LEU A 68 3.519 -8.700 -3.127 1.00 0.00 N ATOM 1093 CA LEU A 68 3.658 -10.133 -2.883 1.00 0.00 C ATOM 1094 C LEU A 68 2.477 -10.673 -2.082 1.00 0.00 C ATOM 1095 O LEU A 68 2.289 -10.299 -0.927 1.00 0.00 O ATOM 1096 CB LEU A 68 4.962 -10.408 -2.129 1.00 0.00 C ATOM 1097 CG LEU A 68 5.621 -11.758 -2.427 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.981 -11.845 -1.752 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.730 -12.905 -1.972 1.00 0.00 C ATOM 0 H LEU A 68 3.484 -8.123 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 68 3.678 -10.641 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.673 -9.616 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.763 -10.348 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 68 5.761 -11.839 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.436 -12.810 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.624 -11.047 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.859 -11.740 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.218 -13.854 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.557 -12.828 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.776 -12.856 -2.498 1.00 0.00 H new ATOM 1111 N ARG A 69 1.695 -11.561 -2.697 1.00 0.00 N ATOM 1112 CA ARG A 69 0.538 -12.155 -2.027 1.00 0.00 C ATOM 1113 C ARG A 69 0.935 -13.393 -1.238 1.00 0.00 C ATOM 1114 O ARG A 69 1.907 -14.071 -1.570 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.554 -12.530 -3.026 1.00 0.00 C ATOM 1116 CG ARG A 69 -0.044 -13.313 -4.221 1.00 0.00 C ATOM 1117 CD ARG A 69 -1.166 -14.069 -4.911 1.00 0.00 C ATOM 1118 NE ARG A 69 -0.697 -14.797 -6.087 1.00 0.00 N ATOM 1119 CZ ARG A 69 -1.496 -15.500 -6.886 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -2.796 -15.570 -6.635 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -0.992 -16.133 -7.936 1.00 0.00 N ATOM 0 H ARG A 69 1.841 -11.884 -3.654 1.00 0.00 H new ATOM 0 HA ARG A 69 0.150 -11.401 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.315 -13.119 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.039 -11.620 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.427 -12.632 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.724 -14.015 -3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.617 -14.769 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.946 -13.368 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 69 0.298 -14.765 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.186 -15.084 -5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.406 -16.110 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.008 -16.081 -8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.604 -16.672 -8.549 1.00 0.00 H new ATOM 1135 N THR A 70 0.171 -13.679 -0.191 1.00 0.00 N ATOM 1136 CA THR A 70 0.451 -14.832 0.649 1.00 0.00 C ATOM 1137 C THR A 70 -0.763 -15.764 0.757 1.00 0.00 C ATOM 1138 O THR A 70 -1.776 -15.570 0.087 1.00 0.00 O ATOM 1139 CB THR A 70 0.934 -14.391 2.044 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.797 -13.258 1.909 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.698 -15.503 2.745 1.00 0.00 C ATOM 0 H THR A 70 -0.641 -13.132 0.094 1.00 0.00 H new ATOM 0 HA THR A 70 1.253 -15.396 0.173 1.00 0.00 H new ATOM 0 HB THR A 70 0.057 -14.141 2.641 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.298 -12.512 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.024 -15.158 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.050 -16.372 2.863 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.568 -15.778 2.149 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.617 -16.798 1.573 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.640 -17.824 1.775 1.00 0.00 C ATOM 1151 C HIS A 71 -3.087 -17.318 1.834 1.00 0.00 C ATOM 1152 O HIS A 71 -3.906 -17.702 0.997 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.348 -18.475 3.114 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.776 -19.851 3.026 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.474 -20.936 2.541 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.448 -20.312 3.369 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.704 -22.008 2.590 1.00 0.00 C ATOM 1158 NE2 HIS A 71 0.468 -21.656 3.088 1.00 0.00 N ATOM 0 H HIS A 71 0.227 -16.954 2.124 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.583 -18.488 0.912 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.654 -17.842 3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.271 -18.516 3.692 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.258 -19.732 3.786 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.985 -23.003 2.276 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.260 -22.281 3.239 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.391 -16.446 2.800 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.774 -15.958 2.912 1.00 0.00 C ATOM 1169 C GLN A 72 -4.936 -15.049 4.139 1.00 0.00 C ATOM 1170 O GLN A 72 -4.346 -15.319 5.185 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.740 -17.146 3.028 1.00 0.00 C ATOM 1172 CG GLN A 72 -7.185 -16.752 3.288 1.00 0.00 C ATOM 1173 CD GLN A 72 -8.106 -17.952 3.395 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -8.303 -18.503 4.478 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -8.678 -18.361 2.268 1.00 0.00 N ATOM 0 H GLN A 72 -2.735 -16.076 3.488 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.005 -15.382 2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.694 -17.728 2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.402 -17.797 3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.240 -16.173 4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.531 -16.103 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.486 -17.874 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.309 -19.162 2.278 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.736 -13.958 4.041 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.464 -13.571 2.819 1.00 0.00 C ATOM 1186 C PRO A 73 -5.517 -13.160 1.708 1.00 0.00 C ATOM 1187 O PRO A 73 -5.936 -12.604 0.692 1.00 0.00 O ATOM 1188 CB PRO A 73 -7.324 -12.377 3.259 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.308 -12.405 4.750 1.00 0.00 C ATOM 1190 CD PRO A 73 -5.992 -13.015 5.136 1.00 0.00 C ATOM 0 HA PRO A 73 -7.051 -14.397 2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.918 -11.439 2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.341 -12.463 2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.408 -11.400 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.140 -12.993 5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.206 -12.264 5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.048 -13.520 6.100 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.240 -13.438 1.954 1.00 0.00 N ATOM 1199 CA ALA A 74 -3.155 -13.151 1.025 1.00 0.00 C ATOM 1200 C ALA A 74 -2.354 -11.965 1.520 1.00 0.00 C ATOM 1201 O ALA A 74 -2.587 -10.828 1.111 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.636 -12.928 -0.404 1.00 0.00 C ATOM 0 H ALA A 74 -3.926 -13.877 2.820 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.515 -14.033 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.781 -12.719 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.147 -13.823 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.324 -12.083 -0.429 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.416 -12.239 2.422 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.582 -11.179 2.972 1.00 0.00 C ATOM 1210 C ARG A 75 0.175 -10.496 1.840 1.00 0.00 C ATOM 1211 O ARG A 75 0.786 -11.160 1.003 1.00 0.00 O ATOM 1212 CB ARG A 75 0.396 -11.754 4.002 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.202 -12.868 4.852 1.00 0.00 C ATOM 1214 CD ARG A 75 0.877 -13.734 5.485 1.00 0.00 C ATOM 1215 NE ARG A 75 1.016 -13.484 6.917 1.00 0.00 N ATOM 1216 CZ ARG A 75 1.825 -14.180 7.710 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.572 -15.157 7.210 1.00 0.00 N ATOM 1218 NH2 ARG A 75 1.891 -13.901 9.005 1.00 0.00 N ATOM 0 H ARG A 75 -1.217 -13.172 2.782 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.212 -10.445 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.275 -12.136 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.736 -10.951 4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.826 -12.434 5.634 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.851 -13.489 4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.638 -14.785 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.830 -13.544 4.991 1.00 0.00 H new ATOM 0 HE ARG A 75 0.462 -12.734 7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.526 -15.376 6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.192 -15.689 7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.320 -13.151 9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.512 -14.437 9.611 1.00 0.00 H new ATOM 1232 N TYR A 76 0.126 -9.170 1.807 1.00 0.00 N ATOM 1233 CA TYR A 76 0.805 -8.424 0.761 1.00 0.00 C ATOM 1234 C TYR A 76 2.123 -7.854 1.264 1.00 0.00 C ATOM 1235 O TYR A 76 2.230 -7.434 2.415 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.099 -7.310 0.232 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.341 -7.828 -0.463 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.245 -8.583 -1.626 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.608 -7.566 0.044 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.373 -9.060 -2.266 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.742 -8.040 -0.589 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.619 -8.787 -1.743 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.746 -9.261 -2.375 1.00 0.00 O ATOM 0 H TYR A 76 -0.372 -8.596 2.487 1.00 0.00 H new ATOM 0 HA TYR A 76 1.028 -9.109 -0.057 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.396 -6.668 1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.467 -6.691 -0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.270 -8.801 -2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.708 -6.983 0.947 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.279 -9.643 -3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.720 -7.827 -0.182 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.542 -8.981 -1.877 1.00 0.00 H new ATOM 1253 N SER A 77 3.123 -7.845 0.393 1.00 0.00 N ATOM 1254 CA SER A 77 4.437 -7.338 0.766 1.00 0.00 C ATOM 1255 C SER A 77 5.092 -6.605 -0.395 1.00 0.00 C ATOM 1256 O SER A 77 5.144 -7.112 -1.515 1.00 0.00 O ATOM 1257 CB SER A 77 5.336 -8.485 1.229 1.00 0.00 C ATOM 1258 OG SER A 77 4.785 -9.143 2.357 1.00 0.00 O ATOM 0 H SER A 77 3.051 -8.180 -0.568 1.00 0.00 H new ATOM 0 HA SER A 77 4.303 -6.633 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.467 -9.199 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.325 -8.099 1.477 1.00 0.00 H new ATOM 0 HG SER A 77 5.378 -9.873 2.632 1.00 0.00 H new ATOM 1264 N LEU A 78 5.590 -5.406 -0.117 1.00 0.00 N ATOM 1265 CA LEU A 78 6.248 -4.600 -1.136 1.00 0.00 C ATOM 1266 C LEU A 78 7.518 -5.277 -1.636 1.00 0.00 C ATOM 1267 O LEU A 78 8.399 -5.622 -0.848 1.00 0.00 O ATOM 1268 CB LEU A 78 6.614 -3.222 -0.585 1.00 0.00 C ATOM 1269 CG LEU A 78 5.463 -2.232 -0.410 1.00 0.00 C ATOM 1270 CD1 LEU A 78 6.020 -0.833 -0.222 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.519 -2.264 -1.600 1.00 0.00 C ATOM 0 H LEU A 78 5.550 -4.971 0.805 1.00 0.00 H new ATOM 0 HA LEU A 78 5.546 -4.491 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.097 -3.358 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.352 -2.773 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 78 4.894 -2.521 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.198 -0.128 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.655 -0.810 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.607 -0.555 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.712 -1.548 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.066 -2.002 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.101 -3.265 -1.706 1.00 0.00 H new ATOM 1283 N THR A 79 7.609 -5.463 -2.946 1.00 0.00 N ATOM 1284 CA THR A 79 8.786 -6.069 -3.543 1.00 0.00 C ATOM 1285 C THR A 79 9.751 -4.959 -3.977 1.00 0.00 C ATOM 1286 O THR A 79 9.443 -3.789 -3.780 1.00 0.00 O ATOM 1287 CB THR A 79 8.381 -6.944 -4.740 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.979 -6.809 -4.974 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.711 -8.408 -4.487 1.00 0.00 C ATOM 0 H THR A 79 6.882 -5.203 -3.612 1.00 0.00 H new ATOM 0 HA THR A 79 9.284 -6.709 -2.815 1.00 0.00 H new ATOM 0 HB THR A 79 8.942 -6.611 -5.613 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.708 -7.416 -5.694 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.413 -9.003 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.783 -8.516 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.173 -8.755 -3.605 1.00 0.00 H new ATOM 1297 N PRO A 80 10.924 -5.282 -4.558 1.00 0.00 N ATOM 1298 CA PRO A 80 11.887 -4.258 -4.986 1.00 0.00 C ATOM 1299 C PRO A 80 11.243 -3.085 -5.719 1.00 0.00 C ATOM 1300 O PRO A 80 11.537 -1.928 -5.425 1.00 0.00 O ATOM 1301 CB PRO A 80 12.791 -5.036 -5.935 1.00 0.00 C ATOM 1302 CG PRO A 80 12.814 -6.411 -5.370 1.00 0.00 C ATOM 1303 CD PRO A 80 11.437 -6.647 -4.808 1.00 0.00 C ATOM 0 HA PRO A 80 12.394 -3.799 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.400 -5.030 -6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.791 -4.605 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.054 -7.146 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.574 -6.502 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.805 -7.190 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.474 -7.236 -3.891 1.00 0.00 H new ATOM 1311 N GLU A 81 10.368 -3.384 -6.668 1.00 0.00 N ATOM 1312 CA GLU A 81 9.702 -2.341 -7.436 1.00 0.00 C ATOM 1313 C GLU A 81 8.683 -1.581 -6.587 1.00 0.00 C ATOM 1314 O GLU A 81 8.693 -0.352 -6.555 1.00 0.00 O ATOM 1315 CB GLU A 81 9.021 -2.946 -8.662 1.00 0.00 C ATOM 1316 CG GLU A 81 9.986 -3.631 -9.616 1.00 0.00 C ATOM 1317 CD GLU A 81 9.291 -4.202 -10.837 1.00 0.00 C ATOM 1318 OE1 GLU A 81 9.159 -3.471 -11.842 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.879 -5.380 -10.790 1.00 0.00 O ATOM 0 H GLU A 81 10.103 -4.335 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 81 10.461 -1.629 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.274 -3.668 -8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.490 -2.159 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.745 -2.916 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.504 -4.432 -9.089 1.00 0.00 H new ATOM 1326 N GLY A 82 7.802 -2.312 -5.904 1.00 0.00 N ATOM 1327 CA GLY A 82 6.808 -1.655 -5.072 1.00 0.00 C ATOM 1328 C GLY A 82 7.446 -0.829 -3.978 1.00 0.00 C ATOM 1329 O GLY A 82 6.872 0.156 -3.519 1.00 0.00 O ATOM 0 H GLY A 82 7.759 -3.331 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.181 -1.014 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.154 -2.405 -4.626 1.00 0.00 H new ATOM 1333 N LEU A 83 8.638 -1.237 -3.562 1.00 0.00 N ATOM 1334 CA LEU A 83 9.371 -0.533 -2.523 1.00 0.00 C ATOM 1335 C LEU A 83 9.853 0.805 -3.052 1.00 0.00 C ATOM 1336 O LEU A 83 9.631 1.849 -2.440 1.00 0.00 O ATOM 1337 CB LEU A 83 10.570 -1.366 -2.061 1.00 0.00 C ATOM 1338 CG LEU A 83 10.790 -1.425 -0.545 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.901 -0.028 0.045 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.666 -2.196 0.127 1.00 0.00 C ATOM 0 H LEU A 83 9.118 -2.057 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 83 8.707 -0.370 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.448 -2.383 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.470 -0.963 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 83 11.729 -1.947 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.057 -0.099 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.743 0.493 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.983 0.525 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.839 -2.228 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.715 -1.702 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.636 -3.212 -0.266 1.00 0.00 H new ATOM 1352 N GLU A 84 10.516 0.758 -4.201 1.00 0.00 N ATOM 1353 CA GLU A 84 11.033 1.968 -4.830 1.00 0.00 C ATOM 1354 C GLU A 84 9.898 2.924 -5.136 1.00 0.00 C ATOM 1355 O GLU A 84 9.924 4.086 -4.737 1.00 0.00 O ATOM 1356 CB GLU A 84 11.783 1.635 -6.122 1.00 0.00 C ATOM 1357 CG GLU A 84 13.019 0.783 -5.906 1.00 0.00 C ATOM 1358 CD GLU A 84 13.732 0.450 -7.202 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.402 -0.589 -7.811 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.621 1.229 -7.608 1.00 0.00 O ATOM 0 H GLU A 84 10.708 -0.102 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 84 11.727 2.439 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.107 1.114 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.074 2.564 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.706 1.308 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.735 -0.142 -5.404 1.00 0.00 H new ATOM 1367 N LEU A 85 8.895 2.415 -5.841 1.00 0.00 N ATOM 1368 CA LEU A 85 7.748 3.221 -6.202 1.00 0.00 C ATOM 1369 C LEU A 85 7.094 3.809 -4.958 1.00 0.00 C ATOM 1370 O LEU A 85 6.835 5.007 -4.893 1.00 0.00 O ATOM 1371 CB LEU A 85 6.742 2.370 -6.979 1.00 0.00 C ATOM 1372 CG LEU A 85 6.553 2.758 -8.448 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.598 1.794 -9.134 1.00 0.00 C ATOM 1374 CD2 LEU A 85 6.041 4.186 -8.564 1.00 0.00 C ATOM 0 H LEU A 85 8.858 1.450 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 85 8.082 4.044 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.060 1.329 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.776 2.430 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 85 7.521 2.699 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.475 2.084 -10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.003 0.783 -9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.630 1.822 -8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.913 4.442 -9.616 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.083 4.272 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.759 4.868 -8.109 1.00 0.00 H new ATOM 1386 N ALA A 86 6.850 2.960 -3.962 1.00 0.00 N ATOM 1387 CA ALA A 86 6.219 3.406 -2.722 1.00 0.00 C ATOM 1388 C ALA A 86 6.961 4.593 -2.121 1.00 0.00 C ATOM 1389 O ALA A 86 6.341 5.528 -1.620 1.00 0.00 O ATOM 1390 CB ALA A 86 6.140 2.267 -1.720 1.00 0.00 C ATOM 0 H ALA A 86 7.078 1.966 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 86 5.206 3.728 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.667 2.621 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.551 1.452 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.145 1.910 -1.495 1.00 0.00 H new ATOM 1396 N GLN A 87 8.289 4.546 -2.162 1.00 0.00 N ATOM 1397 CA GLN A 87 9.093 5.641 -1.637 1.00 0.00 C ATOM 1398 C GLN A 87 8.734 6.924 -2.372 1.00 0.00 C ATOM 1399 O GLN A 87 8.736 8.013 -1.800 1.00 0.00 O ATOM 1400 CB GLN A 87 10.586 5.345 -1.798 1.00 0.00 C ATOM 1401 CG GLN A 87 11.085 4.218 -0.909 1.00 0.00 C ATOM 1402 CD GLN A 87 12.562 3.937 -1.097 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.408 4.520 -0.419 1.00 0.00 O ATOM 1404 NE2 GLN A 87 12.880 3.037 -2.022 1.00 0.00 N ATOM 0 H GLN A 87 8.825 3.770 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 87 8.883 5.755 -0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.787 5.091 -2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.153 6.249 -1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.897 4.473 0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.517 3.313 -1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.146 2.578 -2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.859 2.805 -2.193 1.00 0.00 H new ATOM 1413 N LYS A 88 8.425 6.766 -3.652 1.00 0.00 N ATOM 1414 CA LYS A 88 8.047 7.891 -4.494 1.00 0.00 C ATOM 1415 C LYS A 88 6.653 8.394 -4.136 1.00 0.00 C ATOM 1416 O LYS A 88 6.449 9.586 -3.908 1.00 0.00 O ATOM 1417 CB LYS A 88 8.083 7.467 -5.958 1.00 0.00 C ATOM 1418 CG LYS A 88 9.309 6.637 -6.311 1.00 0.00 C ATOM 1419 CD LYS A 88 9.330 6.246 -7.780 1.00 0.00 C ATOM 1420 CE LYS A 88 10.451 5.258 -8.074 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.494 4.881 -9.514 1.00 0.00 N ATOM 0 H LYS A 88 8.429 5.865 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 88 8.756 8.702 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.185 6.892 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.060 8.356 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.210 7.203 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.327 5.737 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.372 5.804 -8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.458 7.138 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.406 5.696 -7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.314 4.362 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.270 4.207 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.592 4.440 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.650 5.732 -10.091 1.00 0.00 H new ATOM 1435 N LEU A 89 5.693 7.476 -4.105 1.00 0.00 N ATOM 1436 CA LEU A 89 4.324 7.816 -3.759 1.00 0.00 C ATOM 1437 C LEU A 89 4.289 8.454 -2.377 1.00 0.00 C ATOM 1438 O LEU A 89 3.396 9.236 -2.050 1.00 0.00 O ATOM 1439 CB LEU A 89 3.461 6.551 -3.776 1.00 0.00 C ATOM 1440 CG LEU A 89 3.082 6.027 -5.167 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.314 5.790 -6.026 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.275 4.743 -5.049 1.00 0.00 C ATOM 0 H LEU A 89 5.842 6.489 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 89 3.930 8.525 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.992 5.763 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.545 6.750 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 89 2.472 6.789 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.009 5.419 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.859 6.726 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.958 5.055 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.014 4.384 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.868 3.987 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.364 4.937 -4.483 1.00 0.00 H new ATOM 1454 N ALA A 90 5.284 8.097 -1.581 1.00 0.00 N ATOM 1455 CA ALA A 90 5.389 8.610 -0.219 1.00 0.00 C ATOM 1456 C ALA A 90 5.844 10.067 -0.196 1.00 0.00 C ATOM 1457 O ALA A 90 5.504 10.819 0.718 1.00 0.00 O ATOM 1458 CB ALA A 90 6.344 7.742 0.583 1.00 0.00 C ATOM 0 H ALA A 90 6.030 7.456 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 90 4.398 8.573 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.420 8.128 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.970 6.719 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.328 7.756 0.115 1.00 0.00 H new ATOM 1464 N GLU A 91 6.612 10.456 -1.207 1.00 0.00 N ATOM 1465 CA GLU A 91 7.109 11.827 -1.296 1.00 0.00 C ATOM 1466 C GLU A 91 5.953 12.814 -1.270 1.00 0.00 C ATOM 1467 O GLU A 91 6.009 13.847 -0.602 1.00 0.00 O ATOM 1468 CB GLU A 91 7.917 12.026 -2.574 1.00 0.00 C ATOM 1469 CG GLU A 91 8.885 10.897 -2.845 1.00 0.00 C ATOM 1470 CD GLU A 91 9.635 11.068 -4.152 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.063 10.742 -5.213 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.794 11.533 -4.114 1.00 0.00 O ATOM 0 H GLU A 91 6.903 9.848 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 91 7.755 12.006 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.234 12.121 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.470 12.963 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.601 10.834 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.340 9.954 -2.865 1.00 0.00 H new ATOM 1479 N SER A 92 4.908 12.477 -2.012 1.00 0.00 N ATOM 1480 CA SER A 92 3.725 13.318 -2.095 1.00 0.00 C ATOM 1481 C SER A 92 3.092 13.535 -0.722 1.00 0.00 C ATOM 1482 O SER A 92 2.614 14.629 -0.418 1.00 0.00 O ATOM 1483 CB SER A 92 2.717 12.678 -3.046 1.00 0.00 C ATOM 1484 OG SER A 92 1.571 13.495 -3.208 1.00 0.00 O ATOM 0 H SER A 92 4.857 11.623 -2.567 1.00 0.00 H new ATOM 0 HA SER A 92 4.023 14.295 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.185 12.509 -4.016 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.419 11.703 -2.661 1.00 0.00 H new ATOM 0 HG SER A 92 0.944 13.061 -3.823 1.00 0.00 H new ATOM 1490 N GLU A 93 3.091 12.493 0.106 1.00 0.00 N ATOM 1491 CA GLU A 93 2.512 12.592 1.439 1.00 0.00 C ATOM 1492 C GLU A 93 3.531 13.150 2.421 1.00 0.00 C ATOM 1493 O GLU A 93 3.269 13.238 3.620 1.00 0.00 O ATOM 1494 CB GLU A 93 2.068 11.213 1.917 1.00 0.00 C ATOM 1495 CG GLU A 93 1.280 10.426 0.886 1.00 0.00 C ATOM 1496 CD GLU A 93 -0.087 11.023 0.612 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.191 11.877 -0.293 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -1.053 10.638 1.305 1.00 0.00 O ATOM 0 H GLU A 93 3.482 11.579 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 93 1.653 13.261 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.949 10.638 2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.459 11.329 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.847 10.385 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.161 9.399 1.232 1.00 0.00 H new ATOM 1505 N GLY A 94 4.694 13.526 1.903 1.00 0.00 N ATOM 1506 CA GLY A 94 5.736 14.031 2.771 1.00 0.00 C ATOM 1507 C GLY A 94 6.421 12.890 3.490 1.00 0.00 C ATOM 1508 O GLY A 94 7.356 13.092 4.265 1.00 0.00 O ATOM 0 H GLY A 94 4.931 13.491 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.466 14.591 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.310 14.723 3.497 1.00 0.00 H new ATOM 1512 N LEU A 95 5.929 11.681 3.221 1.00 0.00 N ATOM 1513 CA LEU A 95 6.467 10.469 3.820 1.00 0.00 C ATOM 1514 C LEU A 95 6.233 10.458 5.326 1.00 0.00 C ATOM 1515 O LEU A 95 6.960 9.805 6.075 1.00 0.00 O ATOM 1516 CB LEU A 95 7.960 10.335 3.512 1.00 0.00 C ATOM 1517 CG LEU A 95 8.412 8.941 3.059 1.00 0.00 C ATOM 1518 CD1 LEU A 95 9.918 8.796 3.206 1.00 0.00 C ATOM 1519 CD2 LEU A 95 7.684 7.850 3.836 1.00 0.00 C ATOM 0 H LEU A 95 5.149 11.519 2.584 1.00 0.00 H new ATOM 0 HA LEU A 95 5.944 9.616 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.220 11.054 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.524 10.611 4.403 1.00 0.00 H new ATOM 0 HG LEU A 95 8.157 8.827 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.221 7.801 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.417 9.546 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.197 8.936 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.023 6.872 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.897 7.957 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.610 7.940 3.670 1.00 0.00 H new ATOM 1531 N SER A 96 5.206 11.180 5.761 1.00 0.00 N ATOM 1532 CA SER A 96 4.871 11.251 7.176 1.00 0.00 C ATOM 1533 C SER A 96 4.226 9.952 7.646 1.00 0.00 C ATOM 1534 O SER A 96 4.167 9.678 8.843 1.00 0.00 O ATOM 1535 CB SER A 96 3.932 12.427 7.443 1.00 0.00 C ATOM 1536 OG SER A 96 4.547 13.659 7.106 1.00 0.00 O ATOM 0 H SER A 96 4.593 11.723 5.154 1.00 0.00 H new ATOM 0 HA SER A 96 5.794 11.401 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.017 12.304 6.864 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.645 12.436 8.495 1.00 0.00 H new ATOM 0 HG SER A 96 3.925 14.395 7.285 1.00 0.00 H new ATOM 1542 N LEU A 97 3.734 9.164 6.691 1.00 0.00 N ATOM 1543 CA LEU A 97 3.100 7.890 7.023 1.00 0.00 C ATOM 1544 C LEU A 97 3.890 7.139 8.092 1.00 0.00 C ATOM 1545 O LEU A 97 3.475 7.075 9.250 1.00 0.00 O ATOM 1546 CB LEU A 97 2.967 7.014 5.773 1.00 0.00 C ATOM 1547 CG LEU A 97 2.336 7.695 4.555 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.385 8.469 3.766 1.00 0.00 C ATOM 1549 CD2 LEU A 97 1.651 6.668 3.669 1.00 0.00 C ATOM 0 H LEU A 97 3.761 9.381 5.695 1.00 0.00 H new ATOM 0 HA LEU A 97 2.108 8.110 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.958 6.656 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.371 6.137 6.027 1.00 0.00 H new ATOM 0 HG LEU A 97 1.586 8.403 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.915 8.945 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.830 9.232 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.161 7.784 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.208 7.168 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.383 5.937 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.870 6.161 4.236 1.00 0.00 H new