USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 714 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 75 ASN :FLIP amide:sc=-0.00765 F(o=-1.1,f=-0.39) USER MOD Set 1.2: A 94 SER OG : rot -82:sc= -0.387 USER MOD Single : A 16 SER OG : rot 18:sc= 0.838 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.865 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -11.3! C(o=-12!,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00432) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 58:sc= 1.19 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.911 USER MOD Single : A 52 LYS NZ :NH3+ -154:sc= -0.0149 (180deg=-0.332) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.721 F(o=-2.9,f=-0.72) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc=-0.00443 X(o=-0.0044,f=-0.0044) USER MOD Single : A 76 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-3.6!) USER MOD Single : A 79 THR OG1 : rot -37:sc= -3.33! USER MOD Single : A 84 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 85 CYS SG : rot 2:sc= -0.11 USER MOD Single : A 96 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.6) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 31:sc= -0.77 USER MOD Single : A 105 ASN : amide:sc= -0.892 X(o=-0.89,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -9.085 -15.216 -11.763 1.00 0.00 N ATOM 2 CA SER A 16 -10.006 -14.341 -10.983 1.00 0.00 C ATOM 3 C SER A 16 -10.421 -14.995 -9.665 1.00 0.00 C ATOM 4 O SER A 16 -10.342 -14.371 -8.607 1.00 0.00 O ATOM 5 CB SER A 16 -11.244 -14.038 -11.836 1.00 0.00 C ATOM 6 OG SER A 16 -11.017 -14.349 -13.200 1.00 0.00 O ATOM 0 HA SER A 16 -9.484 -13.416 -10.737 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.093 -14.613 -11.466 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.506 -12.984 -11.740 1.00 0.00 H new ATOM 0 HG SER A 16 -10.245 -14.948 -13.275 1.00 0.00 H new ATOM 14 N PRO A 17 -10.871 -16.263 -9.708 1.00 0.00 N ATOM 15 CA PRO A 17 -11.299 -16.990 -8.505 1.00 0.00 C ATOM 16 C PRO A 17 -10.168 -17.173 -7.494 1.00 0.00 C ATOM 17 O PRO A 17 -10.411 -17.533 -6.343 1.00 0.00 O ATOM 18 CB PRO A 17 -11.756 -18.353 -9.046 1.00 0.00 C ATOM 19 CG PRO A 17 -11.985 -18.141 -10.503 1.00 0.00 C ATOM 20 CD PRO A 17 -11.004 -17.085 -10.921 1.00 0.00 C ATOM 0 HA PRO A 17 -12.076 -16.448 -7.966 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.999 -19.118 -8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.667 -18.688 -8.549 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.828 -19.064 -11.062 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.009 -17.822 -10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.050 -17.517 -11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.372 -16.503 -11.766 1.00 0.00 H new ATOM 28 N THR A 18 -8.935 -16.922 -7.926 1.00 0.00 N ATOM 29 CA THR A 18 -7.781 -17.059 -7.055 1.00 0.00 C ATOM 30 C THR A 18 -6.561 -16.334 -7.624 1.00 0.00 C ATOM 31 O THR A 18 -5.978 -15.479 -6.958 1.00 0.00 O ATOM 32 CB THR A 18 -7.457 -18.534 -6.825 1.00 0.00 C ATOM 33 OG1 THR A 18 -8.560 -19.355 -7.170 1.00 0.00 O ATOM 34 CG2 THR A 18 -7.085 -18.848 -5.391 1.00 0.00 C ATOM 0 H THR A 18 -8.714 -16.623 -8.876 1.00 0.00 H new ATOM 0 HA THR A 18 -8.031 -16.597 -6.100 1.00 0.00 H new ATOM 0 HB THR A 18 -6.598 -18.741 -7.463 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.329 -20.295 -7.016 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.867 -19.912 -5.296 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.205 -18.271 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.915 -18.588 -4.734 1.00 0.00 H new ATOM 42 N PRO A 19 -6.148 -16.661 -8.867 1.00 0.00 N ATOM 43 CA PRO A 19 -4.987 -16.025 -9.501 1.00 0.00 C ATOM 44 C PRO A 19 -5.014 -14.504 -9.380 1.00 0.00 C ATOM 45 O PRO A 19 -5.646 -13.817 -10.183 1.00 0.00 O ATOM 46 CB PRO A 19 -5.107 -16.452 -10.962 1.00 0.00 C ATOM 47 CG PRO A 19 -5.813 -17.761 -10.910 1.00 0.00 C ATOM 48 CD PRO A 19 -6.770 -17.671 -9.752 1.00 0.00 C ATOM 0 HA PRO A 19 -4.050 -16.324 -9.031 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.668 -15.721 -11.544 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.127 -16.548 -11.429 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.345 -17.955 -11.841 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.107 -18.580 -10.770 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.764 -17.363 -10.076 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.882 -18.631 -9.248 1.00 0.00 H new ATOM 56 N VAL A 20 -4.324 -13.986 -8.369 1.00 0.00 N ATOM 57 CA VAL A 20 -4.262 -12.549 -8.128 1.00 0.00 C ATOM 58 C VAL A 20 -3.894 -11.777 -9.391 1.00 0.00 C ATOM 59 O VAL A 20 -3.508 -12.363 -10.403 1.00 0.00 O ATOM 60 CB VAL A 20 -3.236 -12.211 -7.030 1.00 0.00 C ATOM 61 CG1 VAL A 20 -3.634 -12.850 -5.709 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.840 -12.650 -7.444 1.00 0.00 C ATOM 0 H VAL A 20 -3.796 -14.545 -7.699 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.259 -12.250 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.224 -11.130 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.896 -12.599 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.612 -12.477 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.679 -13.933 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.131 -12.402 -6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.832 -13.727 -7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.554 -12.137 -8.362 1.00 0.00 H new ATOM 72 N GLU A 21 -4.010 -10.456 -9.315 1.00 0.00 N ATOM 73 CA GLU A 21 -3.683 -9.588 -10.438 1.00 0.00 C ATOM 74 C GLU A 21 -2.913 -8.363 -9.954 1.00 0.00 C ATOM 75 O GLU A 21 -3.386 -7.623 -9.091 1.00 0.00 O ATOM 76 CB GLU A 21 -4.955 -9.153 -11.168 1.00 0.00 C ATOM 77 CG GLU A 21 -5.358 -10.089 -12.297 1.00 0.00 C ATOM 78 CD GLU A 21 -6.453 -9.510 -13.171 1.00 0.00 C ATOM 79 OE1 GLU A 21 -7.328 -8.799 -12.633 1.00 0.00 O ATOM 80 OE2 GLU A 21 -6.435 -9.766 -14.393 1.00 0.00 O ATOM 0 H GLU A 21 -4.330 -9.962 -8.482 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.056 -10.147 -11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.773 -9.090 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.808 -8.152 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.485 -10.308 -12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.697 -11.036 -11.876 1.00 0.00 H new ATOM 87 N LEU A 22 -1.721 -8.164 -10.502 1.00 0.00 N ATOM 88 CA LEU A 22 -0.881 -7.041 -10.114 1.00 0.00 C ATOM 89 C LEU A 22 -1.564 -5.705 -10.377 1.00 0.00 C ATOM 90 O LEU A 22 -2.185 -5.503 -11.420 1.00 0.00 O ATOM 91 CB LEU A 22 0.445 -7.101 -10.865 1.00 0.00 C ATOM 92 CG LEU A 22 1.524 -7.920 -10.170 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.752 -8.053 -11.058 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.890 -7.282 -8.837 1.00 0.00 C ATOM 0 H LEU A 22 -1.315 -8.767 -11.217 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.701 -7.117 -9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.269 -7.520 -11.856 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.813 -6.085 -11.010 1.00 0.00 H new ATOM 0 HG LEU A 22 1.134 -8.920 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.511 -8.642 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.476 -8.550 -11.988 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.149 -7.063 -11.280 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.662 -7.876 -8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.263 -6.272 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.007 -7.240 -8.199 1.00 0.00 H new ATOM 106 N HIS A 23 -1.435 -4.792 -9.419 1.00 0.00 N ATOM 107 CA HIS A 23 -2.028 -3.470 -9.533 1.00 0.00 C ATOM 108 C HIS A 23 -1.177 -2.444 -8.784 1.00 0.00 C ATOM 109 O HIS A 23 -0.936 -2.577 -7.581 1.00 0.00 O ATOM 110 CB HIS A 23 -3.473 -3.495 -9.006 1.00 0.00 C ATOM 111 CG HIS A 23 -3.783 -2.468 -7.957 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.270 -2.607 -6.702 1.00 0.00 N flip ATOM 113 CD2 HIS A 23 -3.604 -1.114 -8.149 1.00 0.00 C flip ATOM 114 CE1 HIS A 23 -4.377 -1.347 -6.164 1.00 0.00 C flip ATOM 115 NE2 HIS A 23 -3.966 -0.465 -7.056 1.00 0.00 N flip ATOM 0 H HIS A 23 -0.921 -4.948 -8.552 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.057 -3.176 -10.582 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.153 -3.351 -9.846 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.677 -4.484 -8.596 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.227 -0.656 -9.051 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.738 -1.116 -5.173 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.933 0.546 -6.924 1.00 0.00 H new ATOM 124 N LYS A 24 -0.719 -1.425 -9.506 1.00 0.00 N ATOM 125 CA LYS A 24 0.106 -0.380 -8.914 1.00 0.00 C ATOM 126 C LYS A 24 -0.715 0.466 -7.949 1.00 0.00 C ATOM 127 O LYS A 24 -1.846 0.844 -8.251 1.00 0.00 O ATOM 128 CB LYS A 24 0.705 0.510 -10.005 1.00 0.00 C ATOM 129 CG LYS A 24 1.900 1.325 -9.538 1.00 0.00 C ATOM 130 CD LYS A 24 3.203 0.789 -10.112 1.00 0.00 C ATOM 131 CE LYS A 24 4.381 1.675 -9.742 1.00 0.00 C ATOM 132 NZ LYS A 24 5.070 1.198 -8.512 1.00 0.00 N ATOM 0 H LYS A 24 -0.906 -1.302 -10.501 1.00 0.00 H new ATOM 0 HA LYS A 24 0.916 -0.857 -8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.008 -0.114 -10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.065 1.188 -10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.771 2.365 -9.837 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.948 1.310 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.376 -0.222 -9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.123 0.722 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.091 1.700 -10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.033 2.697 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.857 1.839 -8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.396 1.182 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.440 0.239 -8.671 1.00 0.00 H new ATOM 146 N VAL A 25 -0.146 0.752 -6.783 1.00 0.00 N ATOM 147 CA VAL A 25 -0.841 1.546 -5.779 1.00 0.00 C ATOM 148 C VAL A 25 0.088 2.570 -5.137 1.00 0.00 C ATOM 149 O VAL A 25 1.264 2.299 -4.895 1.00 0.00 O ATOM 150 CB VAL A 25 -1.453 0.667 -4.663 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.899 1.061 -4.403 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.350 -0.813 -5.009 1.00 0.00 C ATOM 0 H VAL A 25 0.789 0.448 -6.512 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.645 2.060 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.881 0.836 -3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.312 0.431 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.941 2.105 -4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.482 0.929 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.788 -1.406 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.886 -1.008 -5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.302 -1.086 -5.131 1.00 0.00 H new ATOM 162 N THR A 26 -0.463 3.741 -4.851 1.00 0.00 N ATOM 163 CA THR A 26 0.290 4.815 -4.219 1.00 0.00 C ATOM 164 C THR A 26 -0.533 5.428 -3.091 1.00 0.00 C ATOM 165 O THR A 26 -1.750 5.570 -3.213 1.00 0.00 O ATOM 166 CB THR A 26 0.653 5.888 -5.248 1.00 0.00 C ATOM 167 OG1 THR A 26 1.457 5.342 -6.279 1.00 0.00 O ATOM 168 CG2 THR A 26 1.402 7.062 -4.655 1.00 0.00 C ATOM 0 H THR A 26 -1.437 3.972 -5.048 1.00 0.00 H new ATOM 0 HA THR A 26 1.212 4.404 -3.807 1.00 0.00 H new ATOM 0 HB THR A 26 -0.300 6.247 -5.637 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.677 6.043 -6.928 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.627 7.784 -5.440 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.787 7.537 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.332 6.712 -4.207 1.00 0.00 H new ATOM 176 N LEU A 27 0.121 5.778 -1.989 1.00 0.00 N ATOM 177 CA LEU A 27 -0.583 6.359 -0.850 1.00 0.00 C ATOM 178 C LEU A 27 0.198 7.516 -0.237 1.00 0.00 C ATOM 179 O LEU A 27 1.282 7.867 -0.701 1.00 0.00 O ATOM 180 CB LEU A 27 -0.844 5.292 0.216 1.00 0.00 C ATOM 181 CG LEU A 27 -0.975 3.860 -0.308 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.685 2.860 0.798 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.361 3.630 -0.888 1.00 0.00 C ATOM 0 H LEU A 27 1.127 5.671 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.533 6.747 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.032 5.322 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.759 5.551 0.749 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.243 3.715 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.783 1.847 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.329 3.010 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.393 3.004 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.436 2.607 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.111 3.794 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.531 4.325 -1.711 1.00 0.00 H new ATOM 195 N TYR A 28 -0.369 8.101 0.815 1.00 0.00 N ATOM 196 CA TYR A 28 0.261 9.216 1.511 1.00 0.00 C ATOM 197 C TYR A 28 0.095 9.063 3.019 1.00 0.00 C ATOM 198 O TYR A 28 -1.022 8.913 3.517 1.00 0.00 O ATOM 199 CB TYR A 28 -0.345 10.541 1.048 1.00 0.00 C ATOM 200 CG TYR A 28 -0.499 10.648 -0.453 1.00 0.00 C ATOM 201 CD1 TYR A 28 -1.571 10.050 -1.103 1.00 0.00 C ATOM 202 CD2 TYR A 28 0.427 11.346 -1.218 1.00 0.00 C ATOM 203 CE1 TYR A 28 -1.716 10.144 -2.474 1.00 0.00 C ATOM 204 CE2 TYR A 28 0.287 11.445 -2.590 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.785 10.843 -3.212 1.00 0.00 C ATOM 206 OH TYR A 28 -0.927 10.938 -4.578 1.00 0.00 O ATOM 0 H TYR A 28 -1.268 7.818 1.205 1.00 0.00 H new ATOM 0 HA TYR A 28 1.325 9.214 1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.322 10.666 1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.283 11.360 1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.303 9.503 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.269 11.818 -0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.554 9.672 -2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.015 11.992 -3.171 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.188 11.465 -4.948 1.00 0.00 H new ATOM 216 N LYS A 29 1.210 9.095 3.742 1.00 0.00 N ATOM 217 CA LYS A 29 1.180 8.951 5.194 1.00 0.00 C ATOM 218 C LYS A 29 1.160 10.310 5.883 1.00 0.00 C ATOM 219 O LYS A 29 1.448 11.337 5.268 1.00 0.00 O ATOM 220 CB LYS A 29 2.390 8.144 5.673 1.00 0.00 C ATOM 221 CG LYS A 29 2.016 6.848 6.373 1.00 0.00 C ATOM 222 CD LYS A 29 3.163 6.324 7.221 1.00 0.00 C ATOM 223 CE LYS A 29 3.347 7.154 8.483 1.00 0.00 C ATOM 224 NZ LYS A 29 4.749 7.099 8.983 1.00 0.00 N ATOM 0 H LYS A 29 2.143 9.219 3.348 1.00 0.00 H new ATOM 0 HA LYS A 29 0.266 8.420 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.026 7.915 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.980 8.758 6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.142 7.012 7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.738 6.099 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.972 5.286 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.084 6.337 6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.074 8.190 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.671 6.792 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.834 7.677 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.001 6.114 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.392 7.468 8.254 1.00 0.00 H new ATOM 238 N ASP A 30 0.822 10.304 7.169 1.00 0.00 N ATOM 239 CA ASP A 30 0.768 11.532 7.952 1.00 0.00 C ATOM 240 C ASP A 30 1.801 11.501 9.073 1.00 0.00 C ATOM 241 O ASP A 30 2.025 10.464 9.694 1.00 0.00 O ATOM 242 CB ASP A 30 -0.633 11.732 8.535 1.00 0.00 C ATOM 243 CG ASP A 30 -1.109 13.166 8.415 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.294 13.636 7.274 1.00 0.00 O ATOM 245 OD2 ASP A 30 -1.298 13.817 9.464 1.00 0.00 O ATOM 0 H ASP A 30 0.581 9.461 7.690 1.00 0.00 H new ATOM 0 HA ASP A 30 0.997 12.368 7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.335 11.075 8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.632 11.439 9.585 1.00 0.00 H new ATOM 250 N SER A 31 2.429 12.646 9.324 1.00 0.00 N ATOM 251 CA SER A 31 3.441 12.749 10.368 1.00 0.00 C ATOM 252 C SER A 31 2.853 12.401 11.732 1.00 0.00 C ATOM 253 O SER A 31 2.439 13.284 12.485 1.00 0.00 O ATOM 254 CB SER A 31 4.031 14.159 10.400 1.00 0.00 C ATOM 255 OG SER A 31 3.093 15.095 10.902 1.00 0.00 O ATOM 0 H SER A 31 2.254 13.515 8.819 1.00 0.00 H new ATOM 0 HA SER A 31 4.234 12.036 10.141 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.926 14.168 11.022 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.338 14.451 9.396 1.00 0.00 H new ATOM 0 HG SER A 31 2.814 14.828 11.803 1.00 0.00 H new ATOM 261 N GLY A 32 2.822 11.110 12.046 1.00 0.00 N ATOM 262 CA GLY A 32 2.284 10.670 13.321 1.00 0.00 C ATOM 263 C GLY A 32 1.420 9.426 13.209 1.00 0.00 C ATOM 264 O GLY A 32 0.950 8.900 14.218 1.00 0.00 O ATOM 0 H GLY A 32 3.159 10.361 11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.108 10.472 14.007 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.694 11.476 13.757 1.00 0.00 H new ATOM 268 N MET A 33 1.204 8.950 11.984 1.00 0.00 N ATOM 269 CA MET A 33 0.387 7.762 11.763 1.00 0.00 C ATOM 270 C MET A 33 1.191 6.489 12.022 1.00 0.00 C ATOM 271 O MET A 33 2.410 6.467 11.854 1.00 0.00 O ATOM 272 CB MET A 33 -0.161 7.754 10.333 1.00 0.00 C ATOM 273 CG MET A 33 -1.679 7.784 10.264 1.00 0.00 C ATOM 274 SD MET A 33 -2.329 9.434 9.939 1.00 0.00 S ATOM 275 CE MET A 33 -3.971 9.298 10.642 1.00 0.00 C ATOM 0 H MET A 33 1.582 9.368 11.134 1.00 0.00 H new ATOM 0 HA MET A 33 -0.447 7.790 12.464 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.236 8.615 9.796 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.200 6.863 9.819 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.016 7.105 9.481 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.089 7.415 11.204 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.499 10.243 10.518 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.520 8.506 10.133 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.894 9.062 11.703 1.00 0.00 H new ATOM 285 N GLU A 34 0.496 5.433 12.432 1.00 0.00 N ATOM 286 CA GLU A 34 1.140 4.154 12.716 1.00 0.00 C ATOM 287 C GLU A 34 1.085 3.222 11.507 1.00 0.00 C ATOM 288 O GLU A 34 1.737 2.177 11.489 1.00 0.00 O ATOM 289 CB GLU A 34 0.478 3.483 13.923 1.00 0.00 C ATOM 290 CG GLU A 34 1.418 2.587 14.711 1.00 0.00 C ATOM 291 CD GLU A 34 2.243 3.355 15.727 1.00 0.00 C ATOM 292 OE1 GLU A 34 1.643 4.003 16.609 1.00 0.00 O ATOM 293 OE2 GLU A 34 3.488 3.307 15.638 1.00 0.00 O ATOM 0 H GLU A 34 -0.514 5.437 12.575 1.00 0.00 H new ATOM 0 HA GLU A 34 2.187 4.352 12.944 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.083 4.253 14.585 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.371 2.892 13.579 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.838 1.821 15.225 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.086 2.072 14.021 1.00 0.00 H new ATOM 300 N ASP A 35 0.304 3.602 10.503 1.00 0.00 N ATOM 301 CA ASP A 35 0.165 2.799 9.294 1.00 0.00 C ATOM 302 C ASP A 35 -0.237 3.673 8.110 1.00 0.00 C ATOM 303 O ASP A 35 -0.470 4.872 8.265 1.00 0.00 O ATOM 304 CB ASP A 35 -0.873 1.693 9.507 1.00 0.00 C ATOM 305 CG ASP A 35 -0.285 0.306 9.329 1.00 0.00 C ATOM 306 OD1 ASP A 35 0.937 0.150 9.531 1.00 0.00 O ATOM 307 OD2 ASP A 35 -1.049 -0.621 8.988 1.00 0.00 O ATOM 0 H ASP A 35 -0.244 4.463 10.502 1.00 0.00 H new ATOM 0 HA ASP A 35 1.130 2.341 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.293 1.781 10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.695 1.829 8.804 1.00 0.00 H new ATOM 312 N PHE A 36 -0.313 3.069 6.928 1.00 0.00 N ATOM 313 CA PHE A 36 -0.685 3.804 5.724 1.00 0.00 C ATOM 314 C PHE A 36 -2.183 3.704 5.444 1.00 0.00 C ATOM 315 O PHE A 36 -2.668 4.242 4.450 1.00 0.00 O ATOM 316 CB PHE A 36 0.112 3.297 4.521 1.00 0.00 C ATOM 317 CG PHE A 36 1.150 4.273 4.048 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.789 5.382 3.299 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.486 4.087 4.360 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.743 6.285 2.870 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.444 4.985 3.933 1.00 0.00 C ATOM 322 CZ PHE A 36 3.074 6.086 3.187 1.00 0.00 C ATOM 0 H PHE A 36 -0.123 2.078 6.778 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.446 4.854 5.893 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.598 2.358 4.785 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.575 3.081 3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.249 5.542 3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.783 3.229 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.449 7.146 2.287 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.483 4.826 4.183 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.822 6.790 2.852 1.00 0.00 H new ATOM 332 N GLY A 37 -2.915 3.027 6.324 1.00 0.00 N ATOM 333 CA GLY A 37 -4.348 2.896 6.140 1.00 0.00 C ATOM 334 C GLY A 37 -4.796 1.462 5.928 1.00 0.00 C ATOM 335 O GLY A 37 -5.898 1.222 5.441 1.00 0.00 O ATOM 0 H GLY A 37 -2.543 2.569 7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.858 3.304 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.654 3.496 5.283 1.00 0.00 H new ATOM 339 N PHE A 38 -3.951 0.504 6.297 1.00 0.00 N ATOM 340 CA PHE A 38 -4.297 -0.904 6.141 1.00 0.00 C ATOM 341 C PHE A 38 -3.243 -1.815 6.763 1.00 0.00 C ATOM 342 O PHE A 38 -2.044 -1.624 6.564 1.00 0.00 O ATOM 343 CB PHE A 38 -4.494 -1.253 4.665 1.00 0.00 C ATOM 344 CG PHE A 38 -3.239 -1.238 3.834 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.431 -2.361 3.762 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.881 -0.112 3.107 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.291 -2.364 2.980 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.739 -0.108 2.328 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.944 -1.239 2.261 1.00 0.00 C ATOM 0 H PHE A 38 -3.031 0.675 6.702 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.236 -1.069 6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.944 -2.244 4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.206 -0.550 4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.695 -3.245 4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.501 0.771 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.672 -3.248 2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.467 0.777 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.055 -1.241 1.648 1.00 0.00 H new ATOM 359 N SER A 39 -3.707 -2.814 7.512 1.00 0.00 N ATOM 360 CA SER A 39 -2.814 -3.766 8.158 1.00 0.00 C ATOM 361 C SER A 39 -2.611 -4.981 7.265 1.00 0.00 C ATOM 362 O SER A 39 -3.488 -5.326 6.472 1.00 0.00 O ATOM 363 CB SER A 39 -3.382 -4.197 9.513 1.00 0.00 C ATOM 364 OG SER A 39 -3.462 -3.101 10.405 1.00 0.00 O ATOM 0 H SER A 39 -4.698 -2.983 7.685 1.00 0.00 H new ATOM 0 HA SER A 39 -1.851 -3.283 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.373 -4.630 9.374 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.752 -4.975 9.944 1.00 0.00 H new ATOM 0 HG SER A 39 -3.829 -3.403 11.262 1.00 0.00 H new ATOM 370 N VAL A 40 -1.451 -5.621 7.390 1.00 0.00 N ATOM 371 CA VAL A 40 -1.134 -6.791 6.580 1.00 0.00 C ATOM 372 C VAL A 40 -0.996 -8.050 7.431 1.00 0.00 C ATOM 373 O VAL A 40 -0.926 -7.984 8.657 1.00 0.00 O ATOM 374 CB VAL A 40 0.164 -6.579 5.780 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.007 -5.425 4.801 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.338 -6.336 6.717 1.00 0.00 C ATOM 0 H VAL A 40 -0.717 -5.349 8.044 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.967 -6.925 5.890 1.00 0.00 H new ATOM 0 HB VAL A 40 0.367 -7.485 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.935 -5.291 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.804 -5.645 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.223 -4.511 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.246 -6.189 6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.146 -5.448 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.465 -7.198 7.373 1.00 0.00 H new ATOM 386 N ALA A 41 -0.956 -9.198 6.759 1.00 0.00 N ATOM 387 CA ALA A 41 -0.827 -10.484 7.432 1.00 0.00 C ATOM 388 C ALA A 41 0.224 -11.349 6.748 1.00 0.00 C ATOM 389 O ALA A 41 0.320 -11.368 5.522 1.00 0.00 O ATOM 390 CB ALA A 41 -2.166 -11.207 7.450 1.00 0.00 C ATOM 0 H ALA A 41 -1.012 -9.262 5.743 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.509 -10.301 8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.055 -12.166 7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.900 -10.600 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.504 -11.373 6.427 1.00 0.00 H new ATOM 396 N ASP A 42 1.006 -12.064 7.545 1.00 0.00 N ATOM 397 CA ASP A 42 2.046 -12.933 7.009 1.00 0.00 C ATOM 398 C ASP A 42 1.435 -14.140 6.308 1.00 0.00 C ATOM 399 O ASP A 42 0.699 -14.918 6.916 1.00 0.00 O ATOM 400 CB ASP A 42 2.979 -13.397 8.130 1.00 0.00 C ATOM 401 CG ASP A 42 4.320 -13.872 7.605 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.935 -13.142 6.800 1.00 0.00 O ATOM 403 OD2 ASP A 42 4.754 -14.975 7.999 1.00 0.00 O ATOM 0 H ASP A 42 0.941 -12.060 8.563 1.00 0.00 H new ATOM 0 HA ASP A 42 2.622 -12.364 6.279 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.136 -12.577 8.831 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.502 -14.205 8.685 1.00 0.00 H new ATOM 408 N GLY A 43 1.756 -14.300 5.028 1.00 0.00 N ATOM 409 CA GLY A 43 1.241 -15.423 4.271 1.00 0.00 C ATOM 410 C GLY A 43 1.983 -16.694 4.609 1.00 0.00 C ATOM 411 O GLY A 43 2.998 -17.011 3.991 1.00 0.00 O ATOM 0 H GLY A 43 2.364 -13.671 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.179 -15.551 4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.332 -15.218 3.204 1.00 0.00 H new ATOM 415 N LEU A 44 1.493 -17.408 5.611 1.00 0.00 N ATOM 416 CA LEU A 44 2.139 -18.636 6.048 1.00 0.00 C ATOM 417 C LEU A 44 1.726 -19.834 5.200 1.00 0.00 C ATOM 418 O LEU A 44 2.233 -20.938 5.397 1.00 0.00 O ATOM 419 CB LEU A 44 1.832 -18.904 7.521 1.00 0.00 C ATOM 420 CG LEU A 44 0.385 -19.311 7.818 1.00 0.00 C ATOM 421 CD1 LEU A 44 0.294 -20.806 8.087 1.00 0.00 C ATOM 422 CD2 LEU A 44 -0.162 -18.521 8.998 1.00 0.00 C ATOM 0 H LEU A 44 0.654 -17.160 6.135 1.00 0.00 H new ATOM 0 HA LEU A 44 3.213 -18.499 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.495 -19.692 7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.066 -18.007 8.094 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.222 -19.083 6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.741 -21.076 8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.643 -21.355 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.915 -21.060 8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.191 -18.824 9.193 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.448 -18.716 9.880 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.135 -17.456 8.767 1.00 0.00 H new ATOM 434 N LEU A 45 0.828 -19.620 4.246 1.00 0.00 N ATOM 435 CA LEU A 45 0.398 -20.700 3.370 1.00 0.00 C ATOM 436 C LEU A 45 1.472 -20.958 2.322 1.00 0.00 C ATOM 437 O LEU A 45 1.464 -21.980 1.635 1.00 0.00 O ATOM 438 CB LEU A 45 -0.928 -20.350 2.692 1.00 0.00 C ATOM 439 CG LEU A 45 -2.082 -20.043 3.647 1.00 0.00 C ATOM 440 CD1 LEU A 45 -2.064 -18.575 4.047 1.00 0.00 C ATOM 441 CD2 LEU A 45 -3.413 -20.408 3.008 1.00 0.00 C ATOM 0 H LEU A 45 0.388 -18.718 4.061 1.00 0.00 H new ATOM 0 HA LEU A 45 0.247 -21.601 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.771 -19.486 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.220 -21.180 2.049 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.957 -20.646 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.892 -18.373 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.122 -18.345 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.166 -17.954 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.223 -20.183 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.548 -19.831 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.423 -21.472 2.771 1.00 0.00 H new ATOM 453 N GLU A 46 2.406 -20.017 2.225 1.00 0.00 N ATOM 454 CA GLU A 46 3.512 -20.109 1.288 1.00 0.00 C ATOM 455 C GLU A 46 4.670 -19.226 1.757 1.00 0.00 C ATOM 456 O GLU A 46 5.591 -19.704 2.415 1.00 0.00 O ATOM 457 CB GLU A 46 3.067 -19.708 -0.127 1.00 0.00 C ATOM 458 CG GLU A 46 1.897 -18.731 -0.164 1.00 0.00 C ATOM 459 CD GLU A 46 0.990 -18.956 -1.358 1.00 0.00 C ATOM 460 OE1 GLU A 46 1.512 -19.089 -2.483 1.00 0.00 O ATOM 461 OE2 GLU A 46 -0.244 -19.000 -1.166 1.00 0.00 O ATOM 0 H GLU A 46 2.414 -19.171 2.795 1.00 0.00 H new ATOM 0 HA GLU A 46 3.850 -21.145 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.914 -19.262 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.791 -20.608 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.316 -18.830 0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.280 -17.711 -0.190 1.00 0.00 H new ATOM 468 N LYS A 47 4.593 -17.936 1.420 1.00 0.00 N ATOM 469 CA LYS A 47 5.596 -16.948 1.784 1.00 0.00 C ATOM 470 C LYS A 47 5.153 -15.556 1.337 1.00 0.00 C ATOM 471 O LYS A 47 4.706 -15.376 0.205 1.00 0.00 O ATOM 472 CB LYS A 47 6.926 -17.284 1.122 1.00 0.00 C ATOM 473 CG LYS A 47 7.659 -18.420 1.793 1.00 0.00 C ATOM 474 CD LYS A 47 9.164 -18.196 1.804 1.00 0.00 C ATOM 475 CE LYS A 47 9.597 -17.387 3.017 1.00 0.00 C ATOM 476 NZ LYS A 47 10.719 -18.038 3.749 1.00 0.00 N ATOM 0 H LYS A 47 3.819 -17.549 0.879 1.00 0.00 H new ATOM 0 HA LYS A 47 5.714 -16.960 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.749 -17.542 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.561 -16.398 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.301 -18.529 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.435 -19.353 1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.676 -19.158 1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.463 -17.677 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.902 -16.390 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.749 -17.261 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.984 -17.455 4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.421 -18.979 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.537 -18.135 3.115 1.00 0.00 H new ATOM 490 N GLY A 48 5.289 -14.569 2.221 1.00 0.00 N ATOM 491 CA GLY A 48 4.904 -13.213 1.868 1.00 0.00 C ATOM 492 C GLY A 48 3.975 -12.571 2.881 1.00 0.00 C ATOM 493 O GLY A 48 3.913 -12.993 4.035 1.00 0.00 O ATOM 0 H GLY A 48 5.655 -14.683 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.801 -12.602 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.416 -13.223 0.893 1.00 0.00 H new ATOM 497 N VAL A 49 3.254 -11.542 2.440 1.00 0.00 N ATOM 498 CA VAL A 49 2.320 -10.824 3.303 1.00 0.00 C ATOM 499 C VAL A 49 1.221 -10.158 2.479 1.00 0.00 C ATOM 500 O VAL A 49 1.469 -9.682 1.371 1.00 0.00 O ATOM 501 CB VAL A 49 3.044 -9.748 4.138 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.116 -9.162 5.190 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.294 -10.319 4.788 1.00 0.00 C ATOM 0 H VAL A 49 3.300 -11.186 1.485 1.00 0.00 H new ATOM 0 HA VAL A 49 1.876 -11.557 3.976 1.00 0.00 H new ATOM 0 HB VAL A 49 3.344 -8.946 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.650 -8.406 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.255 -8.706 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.777 -9.954 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.788 -9.542 5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.018 -11.145 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.973 -10.680 4.016 1.00 0.00 H new ATOM 513 N TYR A 50 0.007 -10.121 3.023 1.00 0.00 N ATOM 514 CA TYR A 50 -1.124 -9.507 2.330 1.00 0.00 C ATOM 515 C TYR A 50 -1.940 -8.637 3.279 1.00 0.00 C ATOM 516 O TYR A 50 -1.992 -8.893 4.480 1.00 0.00 O ATOM 517 CB TYR A 50 -2.035 -10.576 1.709 1.00 0.00 C ATOM 518 CG TYR A 50 -1.404 -11.945 1.609 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.279 -12.154 0.825 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.936 -13.026 2.298 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.300 -13.403 0.728 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.363 -14.279 2.208 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.245 -14.464 1.421 1.00 0.00 C ATOM 524 OH TYR A 50 0.327 -15.711 1.326 1.00 0.00 O ATOM 0 H TYR A 50 -0.219 -10.508 3.939 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.717 -8.881 1.536 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.946 -10.651 2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.331 -10.251 0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.151 -11.326 0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.812 -12.885 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.175 -13.549 0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.788 -15.110 2.751 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.178 -16.345 1.876 1.00 0.00 H new ATOM 534 N VAL A 51 -2.580 -7.612 2.730 1.00 0.00 N ATOM 535 CA VAL A 51 -3.397 -6.708 3.529 1.00 0.00 C ATOM 536 C VAL A 51 -4.536 -7.458 4.210 1.00 0.00 C ATOM 537 O VAL A 51 -5.341 -8.117 3.553 1.00 0.00 O ATOM 538 CB VAL A 51 -3.981 -5.573 2.670 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.754 -4.586 3.533 1.00 0.00 C ATOM 540 CG2 VAL A 51 -2.875 -4.868 1.902 1.00 0.00 C ATOM 0 H VAL A 51 -2.549 -7.386 1.736 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.745 -6.277 4.289 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.676 -6.007 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.158 -3.792 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.572 -5.104 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.087 -4.154 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.304 -4.068 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.155 -4.447 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.371 -5.583 1.251 1.00 0.00 H new ATOM 550 N LYS A 52 -4.595 -7.350 5.532 1.00 0.00 N ATOM 551 CA LYS A 52 -5.633 -8.014 6.309 1.00 0.00 C ATOM 552 C LYS A 52 -6.871 -7.138 6.434 1.00 0.00 C ATOM 553 O LYS A 52 -7.985 -7.639 6.587 1.00 0.00 O ATOM 554 CB LYS A 52 -5.111 -8.375 7.700 1.00 0.00 C ATOM 555 CG LYS A 52 -4.341 -7.252 8.376 1.00 0.00 C ATOM 556 CD LYS A 52 -4.306 -7.433 9.885 1.00 0.00 C ATOM 557 CE LYS A 52 -3.522 -8.672 10.281 1.00 0.00 C ATOM 558 NZ LYS A 52 -4.406 -9.859 10.451 1.00 0.00 N ATOM 0 H LYS A 52 -3.934 -6.808 6.089 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.909 -8.928 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.953 -8.658 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.465 -9.249 7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.323 -7.222 7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.803 -6.295 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.857 -6.554 10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.324 -7.508 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.771 -8.885 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.988 -8.481 11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.964 -10.529 11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.326 -9.555 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.545 -10.323 9.531 1.00 0.00 H new ATOM 572 N ASN A 53 -6.669 -5.832 6.373 1.00 0.00 N ATOM 573 CA ASN A 53 -7.778 -4.889 6.484 1.00 0.00 C ATOM 574 C ASN A 53 -7.348 -3.468 6.136 1.00 0.00 C ATOM 575 O ASN A 53 -6.256 -3.031 6.498 1.00 0.00 O ATOM 576 CB ASN A 53 -8.358 -4.922 7.899 1.00 0.00 C ATOM 577 CG ASN A 53 -7.300 -4.703 8.962 1.00 0.00 C ATOM 578 OD1 ASN A 53 -6.759 -5.793 9.493 1.00 0.00 O flip ATOM 579 ND2 ASN A 53 -6.970 -3.565 9.300 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.754 -5.399 6.248 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.542 -5.194 5.768 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.127 -4.155 7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.845 -5.883 8.067 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.412 -2.755 8.865 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.254 -3.433 10.015 1.00 0.00 H new ATOM 586 N ILE A 54 -8.221 -2.754 5.431 1.00 0.00 N ATOM 587 CA ILE A 54 -7.949 -1.380 5.029 1.00 0.00 C ATOM 588 C ILE A 54 -8.988 -0.424 5.610 1.00 0.00 C ATOM 589 O ILE A 54 -10.169 -0.761 5.704 1.00 0.00 O ATOM 590 CB ILE A 54 -7.945 -1.243 3.494 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.118 -2.374 2.871 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.412 0.124 3.084 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.632 -2.086 1.464 1.00 0.00 C ATOM 0 H ILE A 54 -9.127 -3.108 5.126 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.964 -1.120 5.416 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.967 -1.325 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.256 -2.572 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.719 -3.283 2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.416 0.205 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.045 0.903 3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.393 0.243 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.056 -2.935 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.488 -1.919 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.002 -1.196 1.472 1.00 0.00 H new ATOM 605 N ARG A 55 -8.544 0.766 5.999 1.00 0.00 N ATOM 606 CA ARG A 55 -9.437 1.768 6.571 1.00 0.00 C ATOM 607 C ARG A 55 -10.457 2.239 5.534 1.00 0.00 C ATOM 608 O ARG A 55 -10.099 2.899 4.559 1.00 0.00 O ATOM 609 CB ARG A 55 -8.632 2.961 7.089 1.00 0.00 C ATOM 610 CG ARG A 55 -8.333 2.892 8.578 1.00 0.00 C ATOM 611 CD ARG A 55 -7.782 4.210 9.097 1.00 0.00 C ATOM 612 NE ARG A 55 -8.838 5.094 9.583 1.00 0.00 N ATOM 613 CZ ARG A 55 -8.624 6.134 10.386 1.00 0.00 C ATOM 614 NH1 ARG A 55 -7.397 6.423 10.797 1.00 0.00 N ATOM 615 NH2 ARG A 55 -9.643 6.886 10.782 1.00 0.00 N ATOM 0 H ARG A 55 -7.570 1.061 5.929 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.973 1.312 7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.692 3.020 6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.182 3.878 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.243 2.638 9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.614 2.095 8.769 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.074 4.014 9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.229 4.710 8.301 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.796 4.903 9.290 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.610 5.847 10.498 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.240 7.221 11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.589 6.667 10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.480 7.683 11.397 1.00 0.00 H new ATOM 629 N PRO A 56 -11.747 1.903 5.726 1.00 0.00 N ATOM 630 CA PRO A 56 -12.811 2.299 4.796 1.00 0.00 C ATOM 631 C PRO A 56 -12.861 3.807 4.575 1.00 0.00 C ATOM 632 O PRO A 56 -13.252 4.562 5.467 1.00 0.00 O ATOM 633 CB PRO A 56 -14.092 1.817 5.485 1.00 0.00 C ATOM 634 CG PRO A 56 -13.648 0.731 6.400 1.00 0.00 C ATOM 635 CD PRO A 56 -12.270 1.116 6.858 1.00 0.00 C ATOM 0 HA PRO A 56 -12.659 1.872 3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.573 2.626 6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.817 1.450 4.759 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.327 0.631 7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.635 -0.231 5.887 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.300 1.702 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.653 0.240 7.059 1.00 0.00 H new ATOM 643 N ALA A 57 -12.464 4.237 3.377 1.00 0.00 N ATOM 644 CA ALA A 57 -12.459 5.655 3.015 1.00 0.00 C ATOM 645 C ALA A 57 -11.194 6.349 3.506 1.00 0.00 C ATOM 646 O ALA A 57 -11.236 7.500 3.943 1.00 0.00 O ATOM 647 CB ALA A 57 -13.699 6.362 3.552 1.00 0.00 C ATOM 0 H ALA A 57 -12.139 3.617 2.635 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.475 5.714 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.669 7.414 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.592 5.898 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.723 6.280 4.639 1.00 0.00 H new ATOM 653 N GLY A 58 -10.072 5.646 3.428 1.00 0.00 N ATOM 654 CA GLY A 58 -8.808 6.211 3.863 1.00 0.00 C ATOM 655 C GLY A 58 -7.761 6.182 2.767 1.00 0.00 C ATOM 656 O GLY A 58 -8.075 5.877 1.616 1.00 0.00 O ATOM 0 H GLY A 58 -10.014 4.692 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.964 7.240 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.442 5.657 4.727 1.00 0.00 H new ATOM 660 N PRO A 59 -6.494 6.492 3.092 1.00 0.00 N ATOM 661 CA PRO A 59 -5.408 6.488 2.107 1.00 0.00 C ATOM 662 C PRO A 59 -5.382 5.197 1.298 1.00 0.00 C ATOM 663 O PRO A 59 -5.220 5.218 0.077 1.00 0.00 O ATOM 664 CB PRO A 59 -4.149 6.610 2.966 1.00 0.00 C ATOM 665 CG PRO A 59 -4.602 7.304 4.206 1.00 0.00 C ATOM 666 CD PRO A 59 -6.022 6.863 4.439 1.00 0.00 C ATOM 0 HA PRO A 59 -5.512 7.287 1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.727 5.631 3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.374 7.180 2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.969 7.041 5.053 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.545 8.386 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.072 6.020 5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.625 7.663 4.869 1.00 0.00 H new ATOM 674 N GLY A 60 -5.552 4.073 1.986 1.00 0.00 N ATOM 675 CA GLY A 60 -5.554 2.785 1.319 1.00 0.00 C ATOM 676 C GLY A 60 -6.722 2.630 0.363 1.00 0.00 C ATOM 677 O GLY A 60 -6.574 2.064 -0.721 1.00 0.00 O ATOM 0 H GLY A 60 -5.689 4.032 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.620 2.662 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.592 1.992 2.066 1.00 0.00 H new ATOM 681 N ASP A 61 -7.885 3.143 0.760 1.00 0.00 N ATOM 682 CA ASP A 61 -9.076 3.065 -0.072 1.00 0.00 C ATOM 683 C ASP A 61 -8.967 4.036 -1.237 1.00 0.00 C ATOM 684 O ASP A 61 -9.468 3.774 -2.329 1.00 0.00 O ATOM 685 CB ASP A 61 -10.325 3.375 0.754 1.00 0.00 C ATOM 686 CG ASP A 61 -11.598 2.915 0.072 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.880 3.398 -1.045 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.314 2.074 0.654 1.00 0.00 O ATOM 0 H ASP A 61 -8.024 3.616 1.653 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.159 2.051 -0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.243 2.892 1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.380 4.448 0.935 1.00 0.00 H new ATOM 693 N LEU A 62 -8.303 5.161 -0.992 1.00 0.00 N ATOM 694 CA LEU A 62 -8.122 6.176 -2.017 1.00 0.00 C ATOM 695 C LEU A 62 -7.106 5.716 -3.057 1.00 0.00 C ATOM 696 O LEU A 62 -7.203 6.066 -4.233 1.00 0.00 O ATOM 697 CB LEU A 62 -7.668 7.494 -1.387 1.00 0.00 C ATOM 698 CG LEU A 62 -8.745 8.236 -0.593 1.00 0.00 C ATOM 699 CD1 LEU A 62 -8.154 9.458 0.092 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.897 8.636 -1.504 1.00 0.00 C ATOM 0 H LEU A 62 -7.882 5.390 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.079 6.334 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.825 7.292 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.303 8.150 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.132 7.566 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.934 9.974 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.363 9.146 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.741 10.132 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.654 9.163 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.526 9.289 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.337 7.743 -1.948 1.00 0.00 H new ATOM 712 N GLY A 63 -6.133 4.926 -2.612 1.00 0.00 N ATOM 713 CA GLY A 63 -5.114 4.425 -3.515 1.00 0.00 C ATOM 714 C GLY A 63 -5.631 3.318 -4.410 1.00 0.00 C ATOM 715 O GLY A 63 -5.316 3.273 -5.599 1.00 0.00 O ATOM 0 H GLY A 63 -6.033 4.624 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.744 5.244 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.268 4.055 -2.935 1.00 0.00 H new ATOM 719 N GLY A 64 -6.431 2.423 -3.838 1.00 0.00 N ATOM 720 CA GLY A 64 -6.984 1.324 -4.610 1.00 0.00 C ATOM 721 C GLY A 64 -6.647 -0.038 -4.030 1.00 0.00 C ATOM 722 O GLY A 64 -6.913 -1.066 -4.656 1.00 0.00 O ATOM 0 H GLY A 64 -6.706 2.439 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.067 1.433 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.609 1.380 -5.632 1.00 0.00 H new ATOM 726 N LEU A 65 -6.061 -0.054 -2.835 1.00 0.00 N ATOM 727 CA LEU A 65 -5.693 -1.306 -2.185 1.00 0.00 C ATOM 728 C LEU A 65 -6.928 -2.146 -1.879 1.00 0.00 C ATOM 729 O LEU A 65 -7.781 -1.750 -1.086 1.00 0.00 O ATOM 730 CB LEU A 65 -4.920 -1.025 -0.897 1.00 0.00 C ATOM 731 CG LEU A 65 -3.510 -0.462 -1.102 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.321 0.816 -0.297 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.461 -1.495 -0.720 1.00 0.00 C ATOM 0 H LEU A 65 -5.832 0.784 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.057 -1.868 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.492 -0.321 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.847 -1.950 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.387 -0.223 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.313 1.200 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.049 1.561 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.465 0.603 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.466 -1.077 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.583 -1.767 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.581 -2.382 -1.342 1.00 0.00 H new ATOM 745 N LYS A 66 -7.014 -3.312 -2.512 1.00 0.00 N ATOM 746 CA LYS A 66 -8.142 -4.213 -2.309 1.00 0.00 C ATOM 747 C LYS A 66 -7.716 -5.427 -1.484 1.00 0.00 C ATOM 748 O LYS A 66 -6.612 -5.940 -1.655 1.00 0.00 O ATOM 749 CB LYS A 66 -8.709 -4.667 -3.655 1.00 0.00 C ATOM 750 CG LYS A 66 -9.951 -5.536 -3.534 1.00 0.00 C ATOM 751 CD LYS A 66 -10.292 -6.211 -4.853 1.00 0.00 C ATOM 752 CE LYS A 66 -11.775 -6.100 -5.168 1.00 0.00 C ATOM 753 NZ LYS A 66 -12.576 -7.116 -4.433 1.00 0.00 N ATOM 0 H LYS A 66 -6.315 -3.655 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.917 -3.675 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.948 -3.788 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.941 -5.220 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.792 -6.294 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.793 -4.925 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.713 -5.756 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.006 -7.262 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.128 -5.102 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.929 -6.223 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.582 -7.007 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.257 -8.069 -4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.450 -6.983 -3.409 1.00 0.00 H new ATOM 767 N PRO A 67 -8.588 -5.900 -0.574 1.00 0.00 N ATOM 768 CA PRO A 67 -8.306 -7.054 0.283 1.00 0.00 C ATOM 769 C PRO A 67 -7.564 -8.167 -0.452 1.00 0.00 C ATOM 770 O PRO A 67 -7.903 -8.505 -1.585 1.00 0.00 O ATOM 771 CB PRO A 67 -9.702 -7.532 0.723 1.00 0.00 C ATOM 772 CG PRO A 67 -10.687 -6.590 0.095 1.00 0.00 C ATOM 773 CD PRO A 67 -9.921 -5.361 -0.299 1.00 0.00 C ATOM 0 HA PRO A 67 -7.654 -6.786 1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.882 -8.557 0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.792 -7.522 1.809 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.158 -7.047 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.484 -6.341 0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.352 -4.876 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.903 -4.619 0.500 1.00 0.00 H new ATOM 781 N TYR A 68 -6.544 -8.719 0.211 1.00 0.00 N ATOM 782 CA TYR A 68 -5.718 -9.798 -0.346 1.00 0.00 C ATOM 783 C TYR A 68 -4.584 -9.248 -1.208 1.00 0.00 C ATOM 784 O TYR A 68 -3.735 -10.005 -1.674 1.00 0.00 O ATOM 785 CB TYR A 68 -6.555 -10.797 -1.156 1.00 0.00 C ATOM 786 CG TYR A 68 -7.546 -11.573 -0.320 1.00 0.00 C ATOM 787 CD1 TYR A 68 -7.118 -12.563 0.555 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.909 -11.320 -0.408 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.019 -13.277 1.320 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.816 -12.030 0.352 1.00 0.00 C ATOM 791 CZ TYR A 68 -9.367 -13.008 1.216 1.00 0.00 C ATOM 792 OH TYR A 68 -10.268 -13.716 1.977 1.00 0.00 O ATOM 0 H TYR A 68 -6.266 -8.432 1.149 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.283 -10.326 0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.093 -10.259 -1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.886 -11.498 -1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.063 -12.778 0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.265 -10.555 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.669 -14.043 1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.873 -11.821 0.271 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.176 -13.402 1.785 1.00 0.00 H new ATOM 802 N ASP A 69 -4.572 -7.930 -1.417 1.00 0.00 N ATOM 803 CA ASP A 69 -3.536 -7.291 -2.218 1.00 0.00 C ATOM 804 C ASP A 69 -2.152 -7.609 -1.669 1.00 0.00 C ATOM 805 O ASP A 69 -1.587 -6.843 -0.887 1.00 0.00 O ATOM 806 CB ASP A 69 -3.748 -5.774 -2.276 1.00 0.00 C ATOM 807 CG ASP A 69 -4.000 -5.162 -0.914 1.00 0.00 C ATOM 808 OD1 ASP A 69 -4.737 -5.771 -0.114 1.00 0.00 O ATOM 809 OD2 ASP A 69 -3.460 -4.067 -0.650 1.00 0.00 O ATOM 0 H ASP A 69 -5.270 -7.288 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.605 -7.688 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.870 -5.306 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.593 -5.555 -2.929 1.00 0.00 H new ATOM 814 N ARG A 70 -1.618 -8.746 -2.084 1.00 0.00 N ATOM 815 CA ARG A 70 -0.304 -9.183 -1.645 1.00 0.00 C ATOM 816 C ARG A 70 0.776 -8.249 -2.182 1.00 0.00 C ATOM 817 O ARG A 70 1.143 -8.318 -3.355 1.00 0.00 O ATOM 818 CB ARG A 70 -0.063 -10.618 -2.116 1.00 0.00 C ATOM 819 CG ARG A 70 1.384 -11.081 -2.002 1.00 0.00 C ATOM 820 CD ARG A 70 1.595 -12.421 -2.690 1.00 0.00 C ATOM 821 NE ARG A 70 2.879 -13.022 -2.334 1.00 0.00 N ATOM 822 CZ ARG A 70 3.489 -13.952 -3.066 1.00 0.00 C ATOM 823 NH1 ARG A 70 2.938 -14.391 -4.191 1.00 0.00 N ATOM 824 NH2 ARG A 70 4.657 -14.445 -2.672 1.00 0.00 N ATOM 0 H ARG A 70 -2.079 -9.387 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.260 -9.155 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.694 -11.290 -1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.379 -10.705 -3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.042 -10.335 -2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.659 -11.163 -0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.788 -13.101 -2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.545 -12.286 -3.770 1.00 0.00 H new ATOM 0 HE ARG A 70 3.334 -12.711 -1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.041 -14.016 -4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.411 -15.104 -4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.086 -14.111 -1.809 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.125 -15.157 -3.232 1.00 0.00 H new ATOM 838 N LEU A 71 1.275 -7.372 -1.317 1.00 0.00 N ATOM 839 CA LEU A 71 2.309 -6.420 -1.704 1.00 0.00 C ATOM 840 C LEU A 71 3.507 -7.142 -2.312 1.00 0.00 C ATOM 841 O LEU A 71 4.270 -7.802 -1.607 1.00 0.00 O ATOM 842 CB LEU A 71 2.750 -5.600 -0.492 1.00 0.00 C ATOM 843 CG LEU A 71 1.614 -4.904 0.262 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.889 -4.898 1.757 1.00 0.00 C ATOM 845 CD2 LEU A 71 1.424 -3.486 -0.254 1.00 0.00 C ATOM 0 H LEU A 71 0.980 -7.301 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 71 1.894 -5.748 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.278 -6.256 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.464 -4.845 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 71 0.693 -5.460 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.070 -4.399 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.974 -5.924 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.820 -4.367 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.613 -3.006 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.344 -2.920 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.179 -3.515 -1.316 1.00 0.00 H new ATOM 857 N LEU A 72 3.660 -7.018 -3.625 1.00 0.00 N ATOM 858 CA LEU A 72 4.759 -7.668 -4.326 1.00 0.00 C ATOM 859 C LEU A 72 6.039 -6.841 -4.242 1.00 0.00 C ATOM 860 O LEU A 72 7.035 -7.281 -3.668 1.00 0.00 O ATOM 861 CB LEU A 72 4.386 -7.924 -5.791 1.00 0.00 C ATOM 862 CG LEU A 72 3.125 -8.775 -6.024 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.210 -9.493 -7.363 1.00 0.00 C ATOM 864 CD2 LEU A 72 2.917 -9.786 -4.903 1.00 0.00 C ATOM 0 H LEU A 72 3.038 -6.475 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 72 4.944 -8.625 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.248 -6.962 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.228 -8.415 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 72 2.269 -8.100 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.311 -10.091 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.296 -8.759 -8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.084 -10.144 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.018 -10.369 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.777 -10.453 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.807 -9.260 -3.955 1.00 0.00 H new ATOM 876 N GLN A 73 6.010 -5.643 -4.819 1.00 0.00 N ATOM 877 CA GLN A 73 7.174 -4.763 -4.809 1.00 0.00 C ATOM 878 C GLN A 73 6.849 -3.431 -4.139 1.00 0.00 C ATOM 879 O GLN A 73 5.987 -2.686 -4.605 1.00 0.00 O ATOM 880 CB GLN A 73 7.671 -4.524 -6.236 1.00 0.00 C ATOM 881 CG GLN A 73 7.996 -5.804 -6.990 1.00 0.00 C ATOM 882 CD GLN A 73 8.414 -5.545 -8.424 1.00 0.00 C ATOM 883 OE1 GLN A 73 7.743 -5.970 -9.364 1.00 0.00 O ATOM 884 NE2 GLN A 73 9.529 -4.846 -8.599 1.00 0.00 N ATOM 0 H GLN A 73 5.195 -5.260 -5.298 1.00 0.00 H new ATOM 0 HA GLN A 73 7.961 -5.252 -4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.912 -3.970 -6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.562 -3.897 -6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.796 -6.333 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.124 -6.458 -6.982 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.054 -4.513 -7.791 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.860 -4.642 -9.542 1.00 0.00 H new ATOM 893 N VAL A 74 7.543 -3.138 -3.044 1.00 0.00 N ATOM 894 CA VAL A 74 7.326 -1.897 -2.310 1.00 0.00 C ATOM 895 C VAL A 74 8.396 -0.863 -2.644 1.00 0.00 C ATOM 896 O VAL A 74 9.585 -1.091 -2.424 1.00 0.00 O ATOM 897 CB VAL A 74 7.316 -2.139 -0.789 1.00 0.00 C ATOM 898 CG1 VAL A 74 6.932 -0.867 -0.045 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.371 -3.276 -0.436 1.00 0.00 C ATOM 0 H VAL A 74 8.261 -3.743 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 74 6.352 -1.516 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 74 8.322 -2.422 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.931 -1.059 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.652 -0.081 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.937 -0.549 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.377 -3.433 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.361 -3.024 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.696 -4.188 -0.937 1.00 0.00 H new ATOM 909 N ASN A 75 7.960 0.280 -3.170 1.00 0.00 N ATOM 910 CA ASN A 75 8.872 1.363 -3.534 1.00 0.00 C ATOM 911 C ASN A 75 10.081 0.845 -4.314 1.00 0.00 C ATOM 912 O ASN A 75 11.213 1.262 -4.070 1.00 0.00 O ATOM 913 CB ASN A 75 9.335 2.105 -2.278 1.00 0.00 C ATOM 914 CG ASN A 75 9.088 3.598 -2.365 1.00 0.00 C ATOM 915 OD1 ASN A 75 7.883 4.022 -2.002 1.00 0.00 O flip ATOM 916 ND2 ASN A 75 9.971 4.365 -2.751 1.00 0.00 N flip ATOM 0 H ASN A 75 6.977 0.481 -3.354 1.00 0.00 H new ATOM 0 HA ASN A 75 8.329 2.051 -4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.814 1.703 -1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.399 1.924 -2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.884 3.998 -3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.790 5.368 -2.801 1.00 0.00 H new ATOM 923 N HIS A 76 9.826 -0.063 -5.260 1.00 0.00 N ATOM 924 CA HIS A 76 10.876 -0.649 -6.101 1.00 0.00 C ATOM 925 C HIS A 76 11.520 -1.868 -5.437 1.00 0.00 C ATOM 926 O HIS A 76 12.146 -2.689 -6.109 1.00 0.00 O ATOM 927 CB HIS A 76 11.941 0.406 -6.469 1.00 0.00 C ATOM 928 CG HIS A 76 13.231 0.293 -5.708 1.00 0.00 C ATOM 929 ND1 HIS A 76 13.655 1.242 -4.801 1.00 0.00 N ATOM 930 CD2 HIS A 76 14.195 -0.659 -5.730 1.00 0.00 C ATOM 931 CE1 HIS A 76 14.822 0.878 -4.299 1.00 0.00 C ATOM 932 NE2 HIS A 76 15.170 -0.271 -4.845 1.00 0.00 N ATOM 0 H HIS A 76 8.890 -0.412 -5.465 1.00 0.00 H new ATOM 0 HA HIS A 76 10.403 -0.992 -7.021 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.156 0.328 -7.535 1.00 0.00 H new ATOM 0 HB3 HIS A 76 11.522 1.398 -6.301 1.00 0.00 H new ATOM 0 HD1 HIS A 76 13.147 2.092 -4.556 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.196 -1.556 -6.332 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.394 1.428 -3.566 1.00 0.00 H new ATOM 941 N VAL A 77 11.365 -1.987 -4.121 1.00 0.00 N ATOM 942 CA VAL A 77 11.936 -3.108 -3.384 1.00 0.00 C ATOM 943 C VAL A 77 11.045 -4.341 -3.484 1.00 0.00 C ATOM 944 O VAL A 77 9.882 -4.313 -3.086 1.00 0.00 O ATOM 945 CB VAL A 77 12.139 -2.756 -1.898 1.00 0.00 C ATOM 946 CG1 VAL A 77 12.916 -3.854 -1.189 1.00 0.00 C ATOM 947 CG2 VAL A 77 12.845 -1.416 -1.758 1.00 0.00 C ATOM 0 H VAL A 77 10.849 -1.322 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 77 12.904 -3.324 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 77 11.160 -2.675 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.049 -3.587 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.365 -4.792 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 77 13.892 -3.972 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.980 -1.184 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 77 13.819 -1.465 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.243 -0.637 -2.226 1.00 0.00 H new ATOM 957 N ARG A 78 11.600 -5.425 -4.020 1.00 0.00 N ATOM 958 CA ARG A 78 10.855 -6.669 -4.174 1.00 0.00 C ATOM 959 C ARG A 78 10.592 -7.319 -2.818 1.00 0.00 C ATOM 960 O ARG A 78 11.355 -8.175 -2.372 1.00 0.00 O ATOM 961 CB ARG A 78 11.619 -7.637 -5.078 1.00 0.00 C ATOM 962 CG ARG A 78 11.266 -7.504 -6.551 1.00 0.00 C ATOM 963 CD ARG A 78 10.229 -8.536 -6.969 1.00 0.00 C ATOM 964 NE ARG A 78 9.887 -8.423 -8.385 1.00 0.00 N ATOM 965 CZ ARG A 78 9.000 -9.203 -8.997 1.00 0.00 C ATOM 966 NH1 ARG A 78 8.363 -10.154 -8.324 1.00 0.00 N ATOM 967 NH2 ARG A 78 8.749 -9.032 -10.288 1.00 0.00 N ATOM 0 H ARG A 78 12.563 -5.466 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 78 9.896 -6.434 -4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.689 -7.470 -4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.416 -8.658 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.883 -6.502 -6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.166 -7.625 -7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.611 -9.537 -6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.329 -8.410 -6.367 1.00 0.00 H new ATOM 0 HE ARG A 78 10.356 -7.704 -8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.552 -10.290 -7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.684 -10.748 -8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.236 -8.303 -10.810 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.069 -9.629 -10.759 1.00 0.00 H new ATOM 981 N THR A 79 9.508 -6.904 -2.168 1.00 0.00 N ATOM 982 CA THR A 79 9.145 -7.447 -0.863 1.00 0.00 C ATOM 983 C THR A 79 8.114 -8.563 -0.999 1.00 0.00 C ATOM 984 O THR A 79 7.283 -8.766 -0.114 1.00 0.00 O ATOM 985 CB THR A 79 8.597 -6.339 0.037 1.00 0.00 C ATOM 986 OG1 THR A 79 7.316 -5.923 -0.404 1.00 0.00 O ATOM 987 CG2 THR A 79 9.485 -5.115 0.089 1.00 0.00 C ATOM 0 H THR A 79 8.867 -6.195 -2.523 1.00 0.00 H new ATOM 0 HA THR A 79 10.044 -7.865 -0.411 1.00 0.00 H new ATOM 0 HB THR A 79 8.549 -6.775 1.035 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.288 -5.932 -1.384 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.037 -4.368 0.745 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.466 -5.394 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.592 -4.700 -0.913 1.00 0.00 H new ATOM 995 N ARG A 80 8.174 -9.286 -2.113 1.00 0.00 N ATOM 996 CA ARG A 80 7.246 -10.382 -2.362 1.00 0.00 C ATOM 997 C ARG A 80 7.500 -11.543 -1.403 1.00 0.00 C ATOM 998 O ARG A 80 6.567 -12.098 -0.823 1.00 0.00 O ATOM 999 CB ARG A 80 7.368 -10.859 -3.811 1.00 0.00 C ATOM 1000 CG ARG A 80 6.178 -10.487 -4.679 1.00 0.00 C ATOM 1001 CD ARG A 80 6.063 -11.404 -5.884 1.00 0.00 C ATOM 1002 NE ARG A 80 6.070 -12.814 -5.503 1.00 0.00 N ATOM 1003 CZ ARG A 80 6.205 -13.815 -6.368 1.00 0.00 C ATOM 1004 NH1 ARG A 80 6.351 -13.566 -7.664 1.00 0.00 N ATOM 1005 NH2 ARG A 80 6.196 -15.070 -5.939 1.00 0.00 N ATOM 0 H ARG A 80 8.855 -9.132 -2.857 1.00 0.00 H new ATOM 0 HA ARG A 80 6.234 -10.015 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.272 -10.436 -4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.487 -11.942 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.263 -10.543 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.279 -9.455 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.143 -11.179 -6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.889 -11.209 -6.568 1.00 0.00 H new ATOM 0 HE ARG A 80 5.965 -13.045 -4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.360 -12.603 -8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.454 -14.338 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.085 -15.268 -4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.300 -15.837 -6.604 1.00 0.00 H new ATOM 1019 N ASP A 81 8.770 -11.902 -1.238 1.00 0.00 N ATOM 1020 CA ASP A 81 9.147 -12.994 -0.345 1.00 0.00 C ATOM 1021 C ASP A 81 9.459 -12.480 1.060 1.00 0.00 C ATOM 1022 O ASP A 81 10.106 -13.167 1.849 1.00 0.00 O ATOM 1023 CB ASP A 81 10.358 -13.743 -0.906 1.00 0.00 C ATOM 1024 CG ASP A 81 10.135 -14.217 -2.329 1.00 0.00 C ATOM 1025 OD1 ASP A 81 9.308 -15.132 -2.527 1.00 0.00 O ATOM 1026 OD2 ASP A 81 10.789 -13.675 -3.244 1.00 0.00 O ATOM 0 H ASP A 81 9.555 -11.453 -1.710 1.00 0.00 H new ATOM 0 HA ASP A 81 8.300 -13.677 -0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 81 11.231 -13.091 -0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.578 -14.601 -0.270 1.00 0.00 H new ATOM 1031 N PHE A 82 8.999 -11.270 1.365 1.00 0.00 N ATOM 1032 CA PHE A 82 9.231 -10.668 2.671 1.00 0.00 C ATOM 1033 C PHE A 82 8.220 -11.176 3.692 1.00 0.00 C ATOM 1034 O PHE A 82 7.257 -11.860 3.342 1.00 0.00 O ATOM 1035 CB PHE A 82 9.142 -9.143 2.573 1.00 0.00 C ATOM 1036 CG PHE A 82 10.429 -8.481 2.162 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.318 -9.123 1.315 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.744 -7.215 2.624 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.498 -8.510 0.936 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.922 -6.598 2.251 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.801 -7.248 1.404 1.00 0.00 C ATOM 0 H PHE A 82 8.462 -10.687 0.723 1.00 0.00 H new ATOM 0 HA PHE A 82 10.231 -10.951 3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.365 -8.880 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.832 -8.744 3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.087 -10.112 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.060 -6.703 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.182 -9.019 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.156 -5.610 2.620 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.723 -6.769 1.109 1.00 0.00 H new ATOM 1051 N ASP A 83 8.437 -10.826 4.955 1.00 0.00 N ATOM 1052 CA ASP A 83 7.538 -11.234 6.028 1.00 0.00 C ATOM 1053 C ASP A 83 6.840 -10.018 6.625 1.00 0.00 C ATOM 1054 O ASP A 83 7.229 -8.879 6.365 1.00 0.00 O ATOM 1055 CB ASP A 83 8.298 -11.995 7.120 1.00 0.00 C ATOM 1056 CG ASP A 83 9.751 -11.574 7.234 1.00 0.00 C ATOM 1057 OD1 ASP A 83 10.016 -10.354 7.263 1.00 0.00 O ATOM 1058 OD2 ASP A 83 10.626 -12.464 7.292 1.00 0.00 O ATOM 0 H ASP A 83 9.229 -10.260 5.261 1.00 0.00 H new ATOM 0 HA ASP A 83 6.787 -11.901 5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.803 -11.835 8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.250 -13.064 6.911 1.00 0.00 H new ATOM 1063 N CYS A 84 5.803 -10.262 7.419 1.00 0.00 N ATOM 1064 CA CYS A 84 5.048 -9.180 8.044 1.00 0.00 C ATOM 1065 C CYS A 84 5.973 -8.209 8.773 1.00 0.00 C ATOM 1066 O CYS A 84 5.823 -6.994 8.661 1.00 0.00 O ATOM 1067 CB CYS A 84 4.016 -9.745 9.020 1.00 0.00 C ATOM 1068 SG CYS A 84 4.695 -10.916 10.219 1.00 0.00 S ATOM 0 H CYS A 84 5.466 -11.198 7.645 1.00 0.00 H new ATOM 0 HA CYS A 84 4.533 -8.634 7.253 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.551 -8.919 9.558 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.228 -10.239 8.452 1.00 0.00 H new ATOM 0 HG CYS A 84 3.745 -11.336 11.001 1.00 0.00 H new ATOM 1074 N CYS A 85 6.926 -8.752 9.520 1.00 0.00 N ATOM 1075 CA CYS A 85 7.866 -7.932 10.268 1.00 0.00 C ATOM 1076 C CYS A 85 8.693 -7.041 9.342 1.00 0.00 C ATOM 1077 O CYS A 85 9.261 -6.041 9.780 1.00 0.00 O ATOM 1078 CB CYS A 85 8.791 -8.815 11.107 1.00 0.00 C ATOM 1079 SG CYS A 85 9.745 -10.011 10.145 1.00 0.00 S ATOM 0 H CYS A 85 7.067 -9.757 9.623 1.00 0.00 H new ATOM 0 HA CYS A 85 7.288 -7.286 10.929 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.481 -8.177 11.660 1.00 0.00 H new ATOM 0 HB3 CYS A 85 8.193 -9.352 11.843 1.00 0.00 H new ATOM 0 HG CYS A 85 9.483 -9.859 8.881 1.00 0.00 H new ATOM 1085 N LEU A 86 8.762 -7.405 8.066 1.00 0.00 N ATOM 1086 CA LEU A 86 9.527 -6.631 7.093 1.00 0.00 C ATOM 1087 C LEU A 86 8.616 -5.718 6.276 1.00 0.00 C ATOM 1088 O LEU A 86 9.011 -4.619 5.882 1.00 0.00 O ATOM 1089 CB LEU A 86 10.298 -7.566 6.157 1.00 0.00 C ATOM 1090 CG LEU A 86 11.751 -7.830 6.557 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.824 -8.422 7.956 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.419 -8.753 5.549 1.00 0.00 C ATOM 0 H LEU A 86 8.299 -8.229 7.681 1.00 0.00 H new ATOM 0 HA LEU A 86 10.234 -6.009 7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.772 -8.519 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.285 -7.142 5.153 1.00 0.00 H new ATOM 0 HG LEU A 86 12.285 -6.880 6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.866 -8.602 8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.383 -7.725 8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.275 -9.363 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.452 -8.931 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.883 -9.701 5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.401 -8.289 4.563 1.00 0.00 H new ATOM 1104 N VAL A 87 7.395 -6.179 6.024 1.00 0.00 N ATOM 1105 CA VAL A 87 6.434 -5.404 5.253 1.00 0.00 C ATOM 1106 C VAL A 87 5.818 -4.300 6.102 1.00 0.00 C ATOM 1107 O VAL A 87 5.548 -3.206 5.607 1.00 0.00 O ATOM 1108 CB VAL A 87 5.320 -6.300 4.681 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.377 -5.491 3.803 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.920 -7.460 3.900 1.00 0.00 C ATOM 0 H VAL A 87 7.050 -7.084 6.343 1.00 0.00 H new ATOM 0 HA VAL A 87 6.977 -4.952 4.423 1.00 0.00 H new ATOM 0 HB VAL A 87 4.744 -6.706 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.597 -6.143 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.921 -4.697 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.936 -5.053 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.119 -8.084 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.521 -7.073 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.550 -8.056 4.560 1.00 0.00 H new ATOM 1120 N VAL A 88 5.600 -4.583 7.382 1.00 0.00 N ATOM 1121 CA VAL A 88 5.022 -3.597 8.284 1.00 0.00 C ATOM 1122 C VAL A 88 5.878 -2.329 8.321 1.00 0.00 C ATOM 1123 O VAL A 88 5.373 -1.226 8.110 1.00 0.00 O ATOM 1124 CB VAL A 88 4.860 -4.156 9.714 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.337 -3.085 10.662 1.00 0.00 C ATOM 1126 CG2 VAL A 88 3.936 -5.364 9.710 1.00 0.00 C ATOM 0 H VAL A 88 5.814 -5.482 7.815 1.00 0.00 H new ATOM 0 HA VAL A 88 4.032 -3.352 7.899 1.00 0.00 H new ATOM 0 HB VAL A 88 5.841 -4.470 10.069 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.232 -3.505 11.662 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.038 -2.251 10.690 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.367 -2.732 10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.832 -5.746 10.726 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.957 -5.072 9.330 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.356 -6.141 9.071 1.00 0.00 H new ATOM 1136 N PRO A 89 7.194 -2.467 8.575 1.00 0.00 N ATOM 1137 CA PRO A 89 8.104 -1.320 8.618 1.00 0.00 C ATOM 1138 C PRO A 89 8.276 -0.683 7.246 1.00 0.00 C ATOM 1139 O PRO A 89 8.229 0.539 7.110 1.00 0.00 O ATOM 1140 CB PRO A 89 9.424 -1.922 9.102 1.00 0.00 C ATOM 1141 CG PRO A 89 9.349 -3.357 8.715 1.00 0.00 C ATOM 1142 CD PRO A 89 7.899 -3.737 8.833 1.00 0.00 C ATOM 0 HA PRO A 89 7.732 -0.524 9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.278 -1.430 8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.540 -1.808 10.180 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.711 -3.507 7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.969 -3.971 9.368 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.624 -4.504 8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.666 -4.133 9.821 1.00 0.00 H new ATOM 1150 N LEU A 90 8.465 -1.518 6.224 1.00 0.00 N ATOM 1151 CA LEU A 90 8.632 -1.027 4.864 1.00 0.00 C ATOM 1152 C LEU A 90 7.456 -0.136 4.472 1.00 0.00 C ATOM 1153 O LEU A 90 7.607 0.812 3.701 1.00 0.00 O ATOM 1154 CB LEU A 90 8.756 -2.195 3.886 1.00 0.00 C ATOM 1155 CG LEU A 90 10.157 -2.803 3.781 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.086 -4.233 3.264 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.038 -1.950 2.881 1.00 0.00 C ATOM 0 H LEU A 90 8.506 -2.533 6.316 1.00 0.00 H new ATOM 0 HA LEU A 90 9.548 -0.437 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.058 -2.977 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.448 -1.856 2.897 1.00 0.00 H new ATOM 0 HG LEU A 90 10.599 -2.824 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.092 -4.646 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.490 -4.838 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.624 -4.240 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.031 -2.395 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.598 -1.898 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.117 -0.945 3.296 1.00 0.00 H new ATOM 1169 N ILE A 91 6.287 -0.446 5.023 1.00 0.00 N ATOM 1170 CA ILE A 91 5.079 0.322 4.752 1.00 0.00 C ATOM 1171 C ILE A 91 5.148 1.677 5.454 1.00 0.00 C ATOM 1172 O ILE A 91 4.937 2.720 4.836 1.00 0.00 O ATOM 1173 CB ILE A 91 3.817 -0.457 5.209 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.548 -1.621 4.254 1.00 0.00 C ATOM 1175 CG2 ILE A 91 2.588 0.445 5.294 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.591 -2.651 4.811 1.00 0.00 C ATOM 0 H ILE A 91 6.151 -1.228 5.663 1.00 0.00 H new ATOM 0 HA ILE A 91 5.009 0.485 3.676 1.00 0.00 H new ATOM 0 HB ILE A 91 4.011 -0.842 6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.144 -1.229 3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.493 -2.108 4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.728 -0.141 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.772 1.245 6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.385 0.877 4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.447 -3.447 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.002 -3.071 5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.633 -2.178 5.026 1.00 0.00 H new ATOM 1188 N ALA A 92 5.440 1.650 6.751 1.00 0.00 N ATOM 1189 CA ALA A 92 5.534 2.867 7.540 1.00 0.00 C ATOM 1190 C ALA A 92 6.866 3.587 7.325 1.00 0.00 C ATOM 1191 O ALA A 92 7.095 4.658 7.886 1.00 0.00 O ATOM 1192 CB ALA A 92 5.338 2.554 9.015 1.00 0.00 C ATOM 0 H ALA A 92 5.616 0.794 7.277 1.00 0.00 H new ATOM 0 HA ALA A 92 4.742 3.536 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.411 3.474 9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.355 2.107 9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.108 1.856 9.344 1.00 0.00 H new ATOM 1198 N GLU A 93 7.750 2.991 6.526 1.00 0.00 N ATOM 1199 CA GLU A 93 9.059 3.585 6.267 1.00 0.00 C ATOM 1200 C GLU A 93 9.124 4.251 4.893 1.00 0.00 C ATOM 1201 O GLU A 93 10.118 4.894 4.557 1.00 0.00 O ATOM 1202 CB GLU A 93 10.152 2.519 6.373 1.00 0.00 C ATOM 1203 CG GLU A 93 10.575 2.223 7.803 1.00 0.00 C ATOM 1204 CD GLU A 93 12.068 2.387 8.018 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.531 3.543 8.104 1.00 0.00 O ATOM 1206 OE2 GLU A 93 12.773 1.359 8.098 1.00 0.00 O ATOM 0 H GLU A 93 7.585 2.104 6.050 1.00 0.00 H new ATOM 0 HA GLU A 93 9.220 4.356 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.797 1.599 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.023 2.846 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.039 2.888 8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.285 1.204 8.060 1.00 0.00 H new ATOM 1213 N SER A 94 8.069 4.097 4.100 1.00 0.00 N ATOM 1214 CA SER A 94 8.030 4.691 2.768 1.00 0.00 C ATOM 1215 C SER A 94 8.042 6.217 2.836 1.00 0.00 C ATOM 1216 O SER A 94 8.285 6.889 1.835 1.00 0.00 O ATOM 1217 CB SER A 94 6.795 4.215 2.004 1.00 0.00 C ATOM 1218 OG SER A 94 6.985 4.332 0.605 1.00 0.00 O ATOM 0 H SER A 94 7.234 3.569 4.354 1.00 0.00 H new ATOM 0 HA SER A 94 8.926 4.366 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.583 3.177 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.928 4.802 2.307 1.00 0.00 H new ATOM 0 HG SER A 94 6.808 5.255 0.327 1.00 0.00 H new ATOM 1224 N GLY A 95 7.781 6.756 4.020 1.00 0.00 N ATOM 1225 CA GLY A 95 7.768 8.195 4.191 1.00 0.00 C ATOM 1226 C GLY A 95 6.377 8.785 4.070 1.00 0.00 C ATOM 1227 O GLY A 95 5.399 8.183 4.512 1.00 0.00 O ATOM 0 H GLY A 95 7.578 6.222 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.180 8.445 5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.418 8.652 3.445 1.00 0.00 H new ATOM 1231 N ASN A 96 6.289 9.969 3.470 1.00 0.00 N ATOM 1232 CA ASN A 96 5.007 10.645 3.293 1.00 0.00 C ATOM 1233 C ASN A 96 4.174 9.995 2.186 1.00 0.00 C ATOM 1234 O ASN A 96 3.024 10.376 1.969 1.00 0.00 O ATOM 1235 CB ASN A 96 5.229 12.123 2.972 1.00 0.00 C ATOM 1236 CG ASN A 96 6.223 12.330 1.846 1.00 0.00 C ATOM 1237 OD1 ASN A 96 6.015 11.863 0.727 1.00 0.00 O ATOM 1238 ND2 ASN A 96 7.312 13.032 2.139 1.00 0.00 N ATOM 0 H ASN A 96 7.090 10.480 3.098 1.00 0.00 H new ATOM 0 HA ASN A 96 4.455 10.554 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.277 12.579 2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.585 12.636 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.017 13.203 1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.443 13.401 3.081 1.00 0.00 H new ATOM 1245 N LYS A 97 4.753 9.021 1.487 1.00 0.00 N ATOM 1246 CA LYS A 97 4.045 8.337 0.408 1.00 0.00 C ATOM 1247 C LYS A 97 4.456 6.872 0.323 1.00 0.00 C ATOM 1248 O LYS A 97 5.579 6.509 0.676 1.00 0.00 O ATOM 1249 CB LYS A 97 4.322 9.030 -0.929 1.00 0.00 C ATOM 1250 CG LYS A 97 3.347 10.151 -1.247 1.00 0.00 C ATOM 1251 CD LYS A 97 3.650 10.785 -2.596 1.00 0.00 C ATOM 1252 CE LYS A 97 3.513 9.780 -3.728 1.00 0.00 C ATOM 1253 NZ LYS A 97 3.727 10.409 -5.060 1.00 0.00 N ATOM 0 H LYS A 97 5.704 8.690 1.647 1.00 0.00 H new ATOM 0 HA LYS A 97 2.978 8.383 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.335 9.433 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.284 8.289 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.329 9.761 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.397 10.911 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.972 11.621 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.661 11.191 -2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.234 8.975 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.521 9.329 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.625 9.690 -5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.023 11.161 -5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.683 10.817 -5.102 1.00 0.00 H new ATOM 1267 N LEU A 98 3.541 6.028 -0.153 1.00 0.00 N ATOM 1268 CA LEU A 98 3.817 4.602 -0.287 1.00 0.00 C ATOM 1269 C LEU A 98 3.460 4.098 -1.680 1.00 0.00 C ATOM 1270 O LEU A 98 2.303 3.783 -1.959 1.00 0.00 O ATOM 1271 CB LEU A 98 3.044 3.795 0.763 1.00 0.00 C ATOM 1272 CG LEU A 98 3.887 2.807 1.573 1.00 0.00 C ATOM 1273 CD1 LEU A 98 2.993 1.893 2.390 1.00 0.00 C ATOM 1274 CD2 LEU A 98 4.787 1.989 0.657 1.00 0.00 C ATOM 0 H LEU A 98 2.606 6.308 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 98 4.886 4.463 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.565 4.490 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.248 3.244 0.262 1.00 0.00 H new ATOM 0 HG LEU A 98 4.519 3.376 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.608 1.197 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.391 2.490 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.336 1.335 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.377 1.293 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.175 1.431 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.454 2.656 0.112 1.00 0.00 H new ATOM 1286 N ASP A 99 4.464 4.001 -2.542 1.00 0.00 N ATOM 1287 CA ASP A 99 4.256 3.506 -3.896 1.00 0.00 C ATOM 1288 C ASP A 99 4.662 2.041 -3.963 1.00 0.00 C ATOM 1289 O ASP A 99 5.818 1.699 -3.714 1.00 0.00 O ATOM 1290 CB ASP A 99 5.070 4.326 -4.899 1.00 0.00 C ATOM 1291 CG ASP A 99 4.918 5.820 -4.682 1.00 0.00 C ATOM 1292 OD1 ASP A 99 3.939 6.228 -4.022 1.00 0.00 O ATOM 1293 OD2 ASP A 99 5.778 6.582 -5.173 1.00 0.00 O ATOM 0 H ASP A 99 5.428 4.258 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 99 3.201 3.603 -4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.123 4.055 -4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.754 4.074 -5.911 1.00 0.00 H new ATOM 1298 N LEU A 100 3.708 1.171 -4.274 1.00 0.00 N ATOM 1299 CA LEU A 100 3.993 -0.258 -4.336 1.00 0.00 C ATOM 1300 C LEU A 100 3.104 -0.981 -5.342 1.00 0.00 C ATOM 1301 O LEU A 100 2.064 -0.472 -5.756 1.00 0.00 O ATOM 1302 CB LEU A 100 3.803 -0.880 -2.951 1.00 0.00 C ATOM 1303 CG LEU A 100 2.538 -0.440 -2.214 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.320 -1.182 -2.744 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.691 -0.661 -0.715 1.00 0.00 C ATOM 0 H LEU A 100 2.743 1.425 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 100 5.026 -0.371 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.786 -1.965 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.668 -0.633 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 100 2.391 0.625 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.431 -0.853 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.199 -0.971 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.456 -2.254 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.782 -0.342 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.865 -1.719 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.536 -0.080 -0.346 1.00 0.00 H new ATOM 1317 N VAL A 101 3.529 -2.185 -5.713 1.00 0.00 N ATOM 1318 CA VAL A 101 2.789 -3.016 -6.651 1.00 0.00 C ATOM 1319 C VAL A 101 2.278 -4.266 -5.945 1.00 0.00 C ATOM 1320 O VAL A 101 3.059 -5.144 -5.576 1.00 0.00 O ATOM 1321 CB VAL A 101 3.664 -3.432 -7.849 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.816 -4.074 -8.935 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.425 -2.232 -8.394 1.00 0.00 C ATOM 0 H VAL A 101 4.392 -2.609 -5.373 1.00 0.00 H new ATOM 0 HA VAL A 101 1.950 -2.428 -7.025 1.00 0.00 H new ATOM 0 HB VAL A 101 4.390 -4.170 -7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.453 -4.361 -9.772 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.322 -4.960 -8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.064 -3.363 -9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.038 -2.543 -9.240 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.717 -1.470 -8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.065 -1.822 -7.613 1.00 0.00 H new ATOM 1333 N ILE A 102 0.968 -4.333 -5.743 1.00 0.00 N ATOM 1334 CA ILE A 102 0.356 -5.468 -5.060 1.00 0.00 C ATOM 1335 C ILE A 102 -0.370 -6.381 -6.042 1.00 0.00 C ATOM 1336 O ILE A 102 -0.568 -6.028 -7.202 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.648 -4.990 -3.992 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.788 -4.216 -4.659 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.044 -4.128 -2.940 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.919 -5.102 -5.132 1.00 0.00 C ATOM 0 H ILE A 102 0.308 -3.615 -6.042 1.00 0.00 H new ATOM 0 HA ILE A 102 1.162 -6.025 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.061 -5.863 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.181 -3.483 -3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.392 -3.660 -5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.686 -3.803 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.826 -4.709 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.487 -3.255 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.692 -4.489 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.540 -5.818 -5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.341 -5.638 -4.282 1.00 0.00 H new ATOM 1352 N SER A 103 -0.772 -7.555 -5.562 1.00 0.00 N ATOM 1353 CA SER A 103 -1.487 -8.517 -6.393 1.00 0.00 C ATOM 1354 C SER A 103 -2.708 -9.068 -5.656 1.00 0.00 C ATOM 1355 O SER A 103 -2.583 -9.642 -4.575 1.00 0.00 O ATOM 1356 CB SER A 103 -0.559 -9.666 -6.793 1.00 0.00 C ATOM 1357 OG SER A 103 -0.227 -10.469 -5.673 1.00 0.00 O ATOM 0 H SER A 103 -0.614 -7.862 -4.602 1.00 0.00 H new ATOM 0 HA SER A 103 -1.826 -8.003 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.042 -10.279 -7.553 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.351 -9.264 -7.238 1.00 0.00 H new ATOM 0 HG SER A 103 -0.971 -10.465 -5.036 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.887 -8.887 -6.247 1.00 0.00 N ATOM 1364 CA ARG A 104 -5.124 -9.366 -5.640 1.00 0.00 C ATOM 1365 C ARG A 104 -6.026 -10.033 -6.678 1.00 0.00 C ATOM 1366 O ARG A 104 -6.037 -9.644 -7.845 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.872 -8.213 -4.962 1.00 0.00 C ATOM 1368 CG ARG A 104 -6.520 -7.239 -5.937 1.00 0.00 C ATOM 1369 CD ARG A 104 -5.489 -6.359 -6.625 1.00 0.00 C ATOM 1370 NE ARG A 104 -5.543 -6.487 -8.079 1.00 0.00 N ATOM 1371 CZ ARG A 104 -6.582 -6.102 -8.819 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -7.653 -5.569 -8.245 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -6.548 -6.252 -10.136 1.00 0.00 N ATOM 0 H ARG A 104 -4.011 -8.414 -7.142 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.859 -10.109 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.642 -8.626 -4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.176 -7.666 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.082 -7.795 -6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.235 -6.612 -5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.657 -5.319 -6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.492 -6.626 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.739 -6.895 -8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.684 -5.452 -7.232 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.445 -5.276 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.727 -6.662 -10.582 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.343 -5.958 -10.704 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.780 -11.034 -6.239 1.00 0.00 N ATOM 1388 CA ASN A 105 -7.690 -11.753 -7.124 1.00 0.00 C ATOM 1389 C ASN A 105 -8.926 -10.907 -7.435 1.00 0.00 C ATOM 1390 O ASN A 105 -9.638 -10.485 -6.524 1.00 0.00 O ATOM 1391 CB ASN A 105 -8.113 -13.079 -6.487 1.00 0.00 C ATOM 1392 CG ASN A 105 -8.722 -12.891 -5.114 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -9.937 -12.759 -4.973 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -7.877 -12.878 -4.091 1.00 0.00 N ATOM 0 H ASN A 105 -6.779 -11.367 -5.275 1.00 0.00 H new ATOM 0 HA ASN A 105 -7.165 -11.958 -8.057 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.833 -13.577 -7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -7.246 -13.735 -6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.228 -12.755 -3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.877 -12.991 -4.254 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.198 -10.644 -8.727 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.354 -9.843 -9.137 1.00 0.00 C ATOM 1403 C PRO A 106 -11.673 -10.577 -8.926 1.00 0.00 C ATOM 1404 O PRO A 106 -12.538 -10.042 -8.199 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.110 -9.601 -10.628 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.270 -10.749 -11.064 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.405 -11.103 -9.883 1.00 0.00 C ATOM 1408 OXT PRO A 106 -11.831 -11.681 -9.488 1.00 0.00 O ATOM 0 HA PRO A 106 -10.442 -8.928 -8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.048 -9.564 -11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.602 -8.652 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.890 -11.595 -11.361 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.661 -10.481 -11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.209 -12.174 -9.836 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.437 -10.604 -9.930 1.00 0.00 H new TER 1416 PRO A 106