USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 557 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 15 TYR OH : rot 161:sc= -1.85! USER MOD Set 1.2: A 37 MET CE :methyl -136:sc= -0.815 (180deg=-3.7!) USER MOD Single : A 5 SER OG : rot -22:sc= 0.414 USER MOD Single : A 6 GLN :FLIP amide:sc=-0.000206 F(o=-1,f=-0.00021) USER MOD Single : A 7 GLN : amide:sc= 0.0429 K(o=0.043,f=-1.3) USER MOD Single : A 10 THR OG1 : rot 107:sc= 0.9 USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 1.09 (180deg=0.694) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= -0.0186 (180deg=-0.211) USER MOD Single : A 20 SER OG : rot -12:sc= 0.616 USER MOD Single : A 24 LYS NZ :NH3+ 131:sc= -0.105 (180deg=-0.782) USER MOD Single : A 25 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.1) USER MOD Single : A 26 HIS : no HD1:sc= -8.33! C(o=-8.3!,f=-8.5!) USER MOD Single : A 27 ASN : amide:sc= 0.544 K(o=0.54,f=0) USER MOD Single : A 29 ASN : amide:sc= 0.0126 K(o=0.013,f=-4.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 79:sc= 1.24 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.413) USER MOD Single : A 38 GLN : amide:sc= -0.641 K(o=-0.64,f=-1.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.477 K(o=-0.48,f=-4.4!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.716 K(o=-0.72,f=-4.8!) USER MOD Single : A 62 HIS : no HD1:sc= -3.26! X(o=-3.3!,f=-2.8) USER MOD Single : A 64 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-9.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -1.61 K(o=-1.6,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -18.735 5.636 1.178 1.00 0.00 N ATOM 2 CA SER A 5 -17.699 4.830 0.557 1.00 0.00 C ATOM 3 C SER A 5 -16.578 4.553 1.557 1.00 0.00 C ATOM 4 O SER A 5 -15.418 4.906 1.334 1.00 0.00 O ATOM 5 CB SER A 5 -17.167 5.543 -0.687 1.00 0.00 C ATOM 6 OG SER A 5 -17.066 6.941 -0.467 1.00 0.00 O ATOM 0 HA SER A 5 -18.119 3.872 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.189 5.141 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.829 5.351 -1.532 1.00 0.00 H new ATOM 0 HG SER A 5 -17.661 7.200 0.268 1.00 0.00 H new ATOM 12 N GLN A 6 -16.938 3.901 2.657 1.00 0.00 N ATOM 13 CA GLN A 6 -16.005 3.645 3.752 1.00 0.00 C ATOM 14 C GLN A 6 -15.108 2.442 3.470 1.00 0.00 C ATOM 15 O GLN A 6 -14.433 1.934 4.365 1.00 0.00 O ATOM 16 CB GLN A 6 -16.767 3.445 5.067 1.00 0.00 C ATOM 17 CG GLN A 6 -17.798 2.326 5.021 1.00 0.00 C ATOM 18 CD GLN A 6 -18.488 2.100 6.353 1.00 0.00 C ATOM 19 OE1 GLN A 6 -17.772 2.302 7.446 1.00 0.00 O flip ATOM 20 NE2 GLN A 6 -19.656 1.720 6.396 1.00 0.00 N flip ATOM 0 H GLN A 6 -17.877 3.537 2.816 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.360 4.519 3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.051 3.233 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -17.268 4.376 5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.547 2.561 4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.310 1.402 4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -20.177 1.575 5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -20.104 1.550 7.296 1.00 0.00 H new ATOM 29 N GLN A 7 -15.116 1.977 2.235 1.00 0.00 N ATOM 30 CA GLN A 7 -14.166 0.966 1.802 1.00 0.00 C ATOM 31 C GLN A 7 -13.423 1.448 0.563 1.00 0.00 C ATOM 32 O GLN A 7 -12.221 1.243 0.426 1.00 0.00 O ATOM 33 CB GLN A 7 -14.869 -0.351 1.511 1.00 0.00 C ATOM 34 CG GLN A 7 -13.942 -1.536 1.552 1.00 0.00 C ATOM 35 CD GLN A 7 -13.322 -1.747 2.920 1.00 0.00 C ATOM 36 OE1 GLN A 7 -13.907 -1.385 3.940 1.00 0.00 O ATOM 37 NE2 GLN A 7 -12.153 -2.363 2.959 1.00 0.00 N ATOM 0 H GLN A 7 -15.769 2.282 1.513 1.00 0.00 H new ATOM 0 HA GLN A 7 -13.451 0.799 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -15.669 -0.497 2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -15.337 -0.297 0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.492 -2.432 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.150 -1.398 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.698 -2.648 2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.706 -2.553 3.856 1.00 0.00 H new ATOM 46 N ILE A 8 -14.144 2.123 -0.321 1.00 0.00 N ATOM 47 CA ILE A 8 -13.581 2.599 -1.582 1.00 0.00 C ATOM 48 C ILE A 8 -12.462 3.627 -1.360 1.00 0.00 C ATOM 49 O ILE A 8 -11.637 3.864 -2.243 1.00 0.00 O ATOM 50 CB ILE A 8 -14.692 3.201 -2.479 1.00 0.00 C ATOM 51 CG1 ILE A 8 -15.831 2.201 -2.630 1.00 0.00 C ATOM 52 CG2 ILE A 8 -14.149 3.596 -3.848 1.00 0.00 C ATOM 53 CD1 ILE A 8 -17.028 2.735 -3.387 1.00 0.00 C ATOM 0 H ILE A 8 -15.128 2.356 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.142 1.738 -2.086 1.00 0.00 H new ATOM 0 HB ILE A 8 -15.066 4.105 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -15.456 1.315 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.154 1.883 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -14.954 4.015 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.362 4.340 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.742 2.716 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -17.793 1.961 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -17.431 3.603 -2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -16.723 3.026 -4.392 1.00 0.00 H new ATOM 65 N ALA A 9 -12.424 4.219 -0.175 1.00 0.00 N ATOM 66 CA ALA A 9 -11.399 5.213 0.144 1.00 0.00 C ATOM 67 C ALA A 9 -10.478 4.733 1.262 1.00 0.00 C ATOM 68 O ALA A 9 -9.278 4.539 1.066 1.00 0.00 O ATOM 69 CB ALA A 9 -12.053 6.535 0.520 1.00 0.00 C ATOM 0 H ALA A 9 -13.084 4.033 0.580 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.785 5.359 -0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.282 7.268 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.653 6.895 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.693 6.390 1.390 1.00 0.00 H new ATOM 75 N THR A 10 -11.066 4.535 2.422 1.00 0.00 N ATOM 76 CA THR A 10 -10.353 4.140 3.628 1.00 0.00 C ATOM 77 C THR A 10 -9.632 2.792 3.530 1.00 0.00 C ATOM 78 O THR A 10 -8.736 2.533 4.326 1.00 0.00 O ATOM 79 CB THR A 10 -11.302 4.127 4.820 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.630 3.851 4.368 1.00 0.00 O ATOM 81 CG2 THR A 10 -11.271 5.457 5.553 1.00 0.00 C ATOM 0 H THR A 10 -12.071 4.645 2.561 1.00 0.00 H new ATOM 0 HA THR A 10 -9.573 4.890 3.762 1.00 0.00 H new ATOM 0 HB THR A 10 -10.981 3.349 5.513 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.879 2.938 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.957 5.422 6.399 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.260 5.651 5.912 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.574 6.254 4.874 1.00 0.00 H new ATOM 89 N ALA A 11 -10.007 1.927 2.585 1.00 0.00 N ATOM 90 CA ALA A 11 -9.249 0.689 2.385 1.00 0.00 C ATOM 91 C ALA A 11 -7.888 1.025 1.815 1.00 0.00 C ATOM 92 O ALA A 11 -6.871 0.470 2.226 1.00 0.00 O ATOM 93 CB ALA A 11 -9.971 -0.289 1.474 1.00 0.00 C ATOM 0 H ALA A 11 -10.806 2.053 1.963 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.141 0.201 3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.369 -1.190 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.934 -0.551 1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.129 0.171 0.498 1.00 0.00 H new ATOM 99 N LYS A 12 -7.875 1.962 0.876 1.00 0.00 N ATOM 100 CA LYS A 12 -6.629 2.474 0.348 1.00 0.00 C ATOM 101 C LYS A 12 -5.868 3.167 1.452 1.00 0.00 C ATOM 102 O LYS A 12 -4.692 2.913 1.661 1.00 0.00 O ATOM 103 CB LYS A 12 -6.865 3.465 -0.787 1.00 0.00 C ATOM 104 CG LYS A 12 -5.586 4.165 -1.212 1.00 0.00 C ATOM 105 CD LYS A 12 -5.777 5.004 -2.454 1.00 0.00 C ATOM 106 CE LYS A 12 -4.521 5.800 -2.769 1.00 0.00 C ATOM 107 NZ LYS A 12 -4.357 6.960 -1.852 1.00 0.00 N ATOM 0 H LYS A 12 -8.713 2.378 0.469 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.059 1.632 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.292 2.941 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.597 4.209 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.234 4.799 -0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.811 3.421 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.026 4.360 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.617 5.684 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.650 5.150 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.564 6.154 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.433 7.407 -2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.114 7.651 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.409 6.633 -0.866 1.00 0.00 H new ATOM 121 N ASP A 13 -6.573 4.041 2.150 1.00 0.00 N ATOM 122 CA ASP A 13 -6.017 4.784 3.276 1.00 0.00 C ATOM 123 C ASP A 13 -5.380 3.844 4.301 1.00 0.00 C ATOM 124 O ASP A 13 -4.269 4.083 4.783 1.00 0.00 O ATOM 125 CB ASP A 13 -7.120 5.608 3.946 1.00 0.00 C ATOM 126 CG ASP A 13 -6.577 6.509 5.037 1.00 0.00 C ATOM 127 OD1 ASP A 13 -5.671 7.320 4.754 1.00 0.00 O ATOM 128 OD2 ASP A 13 -7.062 6.406 6.186 1.00 0.00 O ATOM 0 H ASP A 13 -7.550 4.258 1.954 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.241 5.448 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.626 6.214 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.867 4.936 4.370 1.00 0.00 H new ATOM 133 N LYS A 14 -6.080 2.764 4.621 1.00 0.00 N ATOM 134 CA LYS A 14 -5.596 1.799 5.564 1.00 0.00 C ATOM 135 C LYS A 14 -4.384 1.094 4.980 1.00 0.00 C ATOM 136 O LYS A 14 -3.372 0.925 5.654 1.00 0.00 O ATOM 137 CB LYS A 14 -6.710 0.806 5.877 1.00 0.00 C ATOM 138 CG LYS A 14 -6.440 -0.041 7.089 1.00 0.00 C ATOM 139 CD LYS A 14 -7.554 -1.049 7.316 1.00 0.00 C ATOM 140 CE LYS A 14 -7.441 -1.716 8.678 1.00 0.00 C ATOM 141 NZ LYS A 14 -7.740 -0.770 9.782 1.00 0.00 N ATOM 0 H LYS A 14 -6.995 2.544 4.228 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.297 2.289 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.641 1.353 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.858 0.155 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.492 -0.565 6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.340 0.597 7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.519 -0.549 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.522 -1.809 6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.128 -2.561 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.435 -2.116 8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.886 -1.301 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.943 -0.113 9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.601 -0.232 9.555 1.00 0.00 H new ATOM 155 N TYR A 15 -4.487 0.715 3.707 1.00 0.00 N ATOM 156 CA TYR A 15 -3.371 0.110 2.988 1.00 0.00 C ATOM 157 C TYR A 15 -2.161 1.030 2.986 1.00 0.00 C ATOM 158 O TYR A 15 -1.026 0.578 3.121 1.00 0.00 O ATOM 159 CB TYR A 15 -3.754 -0.212 1.542 1.00 0.00 C ATOM 160 CG TYR A 15 -2.572 -0.664 0.718 1.00 0.00 C ATOM 161 CD1 TYR A 15 -2.147 -1.982 0.762 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.863 0.230 -0.086 1.00 0.00 C ATOM 163 CE1 TYR A 15 -1.060 -2.405 0.034 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.769 -0.190 -0.816 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.374 -1.509 -0.752 1.00 0.00 C ATOM 166 OH TYR A 15 0.711 -1.933 -1.472 1.00 0.00 O ATOM 0 H TYR A 15 -5.337 0.818 3.152 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.120 -0.815 3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.516 -0.991 1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.197 0.671 1.082 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.679 -2.690 1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.174 1.263 -0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.746 -3.437 0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.226 0.510 -1.433 1.00 0.00 H new ATOM 0 HH TYR A 15 0.900 -1.291 -2.188 1.00 0.00 H new ATOM 176 N GLU A 16 -2.406 2.315 2.792 1.00 0.00 N ATOM 177 CA GLU A 16 -1.392 3.309 2.868 1.00 0.00 C ATOM 178 C GLU A 16 -0.686 3.275 4.212 1.00 0.00 C ATOM 179 O GLU A 16 0.516 3.541 4.285 1.00 0.00 O ATOM 180 CB GLU A 16 -2.045 4.639 2.598 1.00 0.00 C ATOM 181 CG GLU A 16 -2.407 4.815 1.149 1.00 0.00 C ATOM 182 CD GLU A 16 -2.608 6.261 0.768 1.00 0.00 C ATOM 183 OE1 GLU A 16 -1.605 6.969 0.540 1.00 0.00 O ATOM 184 OE2 GLU A 16 -3.774 6.698 0.685 1.00 0.00 O ATOM 0 H GLU A 16 -3.332 2.684 2.576 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.616 3.125 2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.944 4.730 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.371 5.440 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.620 4.386 0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.320 4.258 0.937 1.00 0.00 H new ATOM 191 N TRP A 17 -1.398 2.919 5.282 1.00 0.00 N ATOM 192 CA TRP A 17 -0.702 2.647 6.510 1.00 0.00 C ATOM 193 C TRP A 17 0.073 1.383 6.336 1.00 0.00 C ATOM 194 O TRP A 17 1.236 1.384 6.589 1.00 0.00 O ATOM 195 CB TRP A 17 -1.600 2.496 7.719 1.00 0.00 C ATOM 196 CG TRP A 17 -0.955 1.702 8.819 1.00 0.00 C ATOM 197 CD1 TRP A 17 0.178 1.973 9.487 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.419 0.481 9.328 1.00 0.00 C ATOM 199 NE1 TRP A 17 0.418 1.008 10.431 1.00 0.00 N ATOM 200 CE2 TRP A 17 -0.570 0.081 10.355 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.487 -0.278 9.010 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -0.790 -1.077 11.079 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -2.720 -1.441 9.712 1.00 0.00 C ATOM 204 CH2 TRP A 17 -1.873 -1.822 10.748 1.00 0.00 C ATOM 0 H TRP A 17 -2.413 2.819 5.313 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.066 3.510 6.706 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.866 3.484 8.096 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.528 2.009 7.420 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.810 2.830 9.306 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.205 0.990 11.080 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.153 0.022 8.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.125 -1.376 11.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.566 -2.061 9.456 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.082 -2.727 11.298 1.00 0.00 H new ATOM 215 N LEU A 18 -0.581 0.319 5.883 1.00 0.00 N ATOM 216 CA LEU A 18 0.071 -0.984 5.753 1.00 0.00 C ATOM 217 C LEU A 18 1.440 -0.842 5.089 1.00 0.00 C ATOM 218 O LEU A 18 2.444 -1.367 5.575 1.00 0.00 O ATOM 219 CB LEU A 18 -0.777 -1.958 4.902 1.00 0.00 C ATOM 220 CG LEU A 18 -1.866 -2.767 5.615 1.00 0.00 C ATOM 221 CD1 LEU A 18 -1.240 -3.789 6.546 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.800 -1.857 6.376 1.00 0.00 C ATOM 0 H LEU A 18 -1.561 0.330 5.599 1.00 0.00 H new ATOM 0 HA LEU A 18 0.182 -1.382 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.253 -1.382 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.097 -2.662 4.421 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.449 -3.296 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.026 -4.356 7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.612 -4.469 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.632 -3.277 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.564 -2.454 6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.235 -1.297 7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.276 -1.163 5.684 1.00 0.00 H new ATOM 234 N VAL A 19 1.467 -0.113 3.985 1.00 0.00 N ATOM 235 CA VAL A 19 2.703 0.122 3.251 1.00 0.00 C ATOM 236 C VAL A 19 3.698 0.917 4.093 1.00 0.00 C ATOM 237 O VAL A 19 4.872 0.591 4.128 1.00 0.00 O ATOM 238 CB VAL A 19 2.438 0.831 1.896 1.00 0.00 C ATOM 239 CG1 VAL A 19 2.222 2.329 2.048 1.00 0.00 C ATOM 240 CG2 VAL A 19 3.554 0.540 0.906 1.00 0.00 C ATOM 0 H VAL A 19 0.644 0.329 3.575 1.00 0.00 H new ATOM 0 HA VAL A 19 3.142 -0.852 3.033 1.00 0.00 H new ATOM 0 HB VAL A 19 1.508 0.421 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.041 2.772 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.361 2.509 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.109 2.781 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.346 1.047 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.501 0.898 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.616 -0.534 0.733 1.00 0.00 H new ATOM 250 N SER A 20 3.222 1.942 4.786 1.00 0.00 N ATOM 251 CA SER A 20 4.070 2.730 5.675 1.00 0.00 C ATOM 252 C SER A 20 4.357 1.957 6.965 1.00 0.00 C ATOM 253 O SER A 20 5.287 2.264 7.713 1.00 0.00 O ATOM 254 CB SER A 20 3.396 4.067 5.983 1.00 0.00 C ATOM 255 OG SER A 20 2.213 3.898 6.749 1.00 0.00 O ATOM 0 H SER A 20 2.250 2.250 4.751 1.00 0.00 H new ATOM 0 HA SER A 20 5.021 2.924 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.091 4.708 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.155 4.576 5.050 1.00 0.00 H new ATOM 0 HG SER A 20 1.966 2.950 6.765 1.00 0.00 H new ATOM 261 N ARG A 21 3.529 0.959 7.205 1.00 0.00 N ATOM 262 CA ARG A 21 3.597 0.131 8.366 1.00 0.00 C ATOM 263 C ARG A 21 4.807 -0.784 8.253 1.00 0.00 C ATOM 264 O ARG A 21 5.428 -1.155 9.248 1.00 0.00 O ATOM 265 CB ARG A 21 2.264 -0.646 8.521 1.00 0.00 C ATOM 266 CG ARG A 21 2.496 -2.076 8.847 1.00 0.00 C ATOM 267 CD ARG A 21 1.228 -2.828 9.196 1.00 0.00 C ATOM 268 NE ARG A 21 1.504 -4.225 9.527 1.00 0.00 N ATOM 269 CZ ARG A 21 0.569 -5.136 9.798 1.00 0.00 C ATOM 270 NH1 ARG A 21 -0.716 -4.813 9.750 1.00 0.00 N ATOM 271 NH2 ARG A 21 0.925 -6.371 10.118 1.00 0.00 N ATOM 0 H ARG A 21 2.772 0.704 6.571 1.00 0.00 H new ATOM 0 HA ARG A 21 3.725 0.729 9.268 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.664 -0.186 9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.690 -0.572 7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.975 -2.562 7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.191 -2.142 9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.738 -2.344 10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.535 -2.783 8.356 1.00 0.00 H new ATOM 0 HE ARG A 21 2.479 -4.523 9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.994 -3.863 9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.426 -5.515 9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.913 -6.623 10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.212 -7.070 10.326 1.00 0.00 H new ATOM 285 N ILE A 22 5.139 -1.118 7.024 1.00 0.00 N ATOM 286 CA ILE A 22 6.342 -1.883 6.731 1.00 0.00 C ATOM 287 C ILE A 22 7.456 -0.971 6.211 1.00 0.00 C ATOM 288 O ILE A 22 8.549 -0.907 6.779 1.00 0.00 O ATOM 289 CB ILE A 22 6.051 -2.957 5.688 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.717 -3.624 5.995 1.00 0.00 C ATOM 291 CG2 ILE A 22 7.170 -3.981 5.672 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.769 -4.713 7.048 1.00 0.00 C ATOM 0 H ILE A 22 4.589 -0.871 6.201 1.00 0.00 H new ATOM 0 HA ILE A 22 6.669 -2.354 7.658 1.00 0.00 H new ATOM 0 HB ILE A 22 5.992 -2.496 4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.012 -2.859 6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.321 -4.050 5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.954 -4.744 4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.111 -3.488 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.250 -4.447 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.771 -5.125 7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.444 -5.504 6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.130 -4.294 7.987 1.00 0.00 H new ATOM 304 N VAL A 23 7.160 -0.272 5.120 1.00 0.00 N ATOM 305 CA VAL A 23 8.092 0.639 4.480 1.00 0.00 C ATOM 306 C VAL A 23 8.274 1.909 5.298 1.00 0.00 C ATOM 307 O VAL A 23 7.309 2.599 5.629 1.00 0.00 O ATOM 308 CB VAL A 23 7.576 1.008 3.088 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.554 1.916 2.379 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.305 -0.240 2.266 1.00 0.00 C ATOM 0 H VAL A 23 6.255 -0.325 4.653 1.00 0.00 H new ATOM 0 HA VAL A 23 9.056 0.136 4.403 1.00 0.00 H new ATOM 0 HB VAL A 23 6.636 1.547 3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.168 2.166 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.688 2.830 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.513 1.408 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.939 0.046 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.226 -0.812 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.555 -0.851 2.768 1.00 0.00 H new ATOM 320 N LYS A 24 9.525 2.228 5.576 1.00 0.00 N ATOM 321 CA LYS A 24 9.868 3.338 6.444 1.00 0.00 C ATOM 322 C LYS A 24 10.971 4.183 5.821 1.00 0.00 C ATOM 323 O LYS A 24 10.852 5.399 5.689 1.00 0.00 O ATOM 324 CB LYS A 24 10.343 2.804 7.778 1.00 0.00 C ATOM 325 CG LYS A 24 10.504 3.875 8.809 1.00 0.00 C ATOM 326 CD LYS A 24 9.188 4.469 9.156 1.00 0.00 C ATOM 327 CE LYS A 24 9.377 5.724 9.971 1.00 0.00 C ATOM 328 NZ LYS A 24 10.123 6.772 9.229 1.00 0.00 N ATOM 0 H LYS A 24 10.331 1.724 5.206 1.00 0.00 H new ATOM 0 HA LYS A 24 8.983 3.960 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.632 2.062 8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.296 2.293 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.969 3.459 9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.172 4.651 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.634 4.699 8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.593 3.749 9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.402 6.114 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.913 5.481 10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.614 7.676 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.074 6.877 9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.204 6.498 8.229 1.00 0.00 H new ATOM 342 N ASN A 25 12.047 3.513 5.442 1.00 0.00 N ATOM 343 CA ASN A 25 13.225 4.172 4.886 1.00 0.00 C ATOM 344 C ASN A 25 13.172 4.192 3.354 1.00 0.00 C ATOM 345 O ASN A 25 14.134 4.583 2.697 1.00 0.00 O ATOM 346 CB ASN A 25 14.468 3.442 5.368 1.00 0.00 C ATOM 347 CG ASN A 25 15.754 4.200 5.105 1.00 0.00 C ATOM 348 OD1 ASN A 25 15.770 5.430 5.060 1.00 0.00 O ATOM 349 ND2 ASN A 25 16.845 3.467 4.953 1.00 0.00 N ATOM 0 H ASN A 25 12.132 2.499 5.510 1.00 0.00 H new ATOM 0 HA ASN A 25 13.252 5.207 5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.378 3.255 6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.522 2.470 4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 25 17.745 3.919 4.791 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.786 2.450 4.998 1.00 0.00 H new ATOM 356 N HIS A 26 12.033 3.741 2.806 1.00 0.00 N ATOM 357 CA HIS A 26 11.782 3.606 1.353 1.00 0.00 C ATOM 358 C HIS A 26 12.764 2.651 0.685 1.00 0.00 C ATOM 359 O HIS A 26 12.643 2.347 -0.501 1.00 0.00 O ATOM 360 CB HIS A 26 11.759 4.969 0.621 1.00 0.00 C ATOM 361 CG HIS A 26 13.091 5.542 0.235 1.00 0.00 C ATOM 362 ND1 HIS A 26 13.452 6.816 0.565 1.00 0.00 N ATOM 363 CD2 HIS A 26 14.142 5.024 -0.456 1.00 0.00 C ATOM 364 CE1 HIS A 26 14.660 7.064 0.114 1.00 0.00 C ATOM 365 NE2 HIS A 26 15.106 5.993 -0.511 1.00 0.00 N ATOM 0 H HIS A 26 11.236 3.451 3.372 1.00 0.00 H new ATOM 0 HA HIS A 26 10.785 3.175 1.266 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.159 4.861 -0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.249 5.691 1.259 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.204 4.033 -0.881 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.199 7.992 0.235 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.017 5.902 -0.960 1.00 0.00 H new ATOM 374 N ASN A 27 13.727 2.182 1.449 1.00 0.00 N ATOM 375 CA ASN A 27 14.757 1.307 0.938 1.00 0.00 C ATOM 376 C ASN A 27 14.301 -0.136 1.063 1.00 0.00 C ATOM 377 O ASN A 27 15.088 -1.080 0.990 1.00 0.00 O ATOM 378 CB ASN A 27 16.073 1.574 1.673 1.00 0.00 C ATOM 379 CG ASN A 27 16.900 2.642 1.001 1.00 0.00 C ATOM 380 OD1 ASN A 27 17.751 2.337 0.164 1.00 0.00 O ATOM 381 ND2 ASN A 27 16.660 3.901 1.317 1.00 0.00 N ATOM 0 H ASN A 27 13.817 2.397 2.442 1.00 0.00 H new ATOM 0 HA ASN A 27 14.934 1.504 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.859 1.875 2.698 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.650 0.651 1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.185 4.649 0.864 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.950 4.125 2.014 1.00 0.00 H new ATOM 388 N GLU A 28 12.996 -0.266 1.260 1.00 0.00 N ATOM 389 CA GLU A 28 12.303 -1.538 1.238 1.00 0.00 C ATOM 390 C GLU A 28 12.211 -2.056 -0.199 1.00 0.00 C ATOM 391 O GLU A 28 12.698 -1.419 -1.134 1.00 0.00 O ATOM 392 CB GLU A 28 10.884 -1.357 1.793 1.00 0.00 C ATOM 393 CG GLU A 28 10.773 -1.258 3.313 1.00 0.00 C ATOM 394 CD GLU A 28 11.679 -0.208 3.934 1.00 0.00 C ATOM 395 OE1 GLU A 28 11.309 0.986 3.928 1.00 0.00 O ATOM 396 OE2 GLU A 28 12.759 -0.572 4.438 1.00 0.00 O ATOM 0 H GLU A 28 12.382 0.527 1.443 1.00 0.00 H new ATOM 0 HA GLU A 28 12.854 -2.253 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.456 -0.455 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.273 -2.195 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.740 -1.033 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.009 -2.229 3.748 1.00 0.00 H new ATOM 403 N ASN A 29 11.568 -3.198 -0.368 1.00 0.00 N ATOM 404 CA ASN A 29 11.355 -3.774 -1.690 1.00 0.00 C ATOM 405 C ASN A 29 9.900 -4.183 -1.851 1.00 0.00 C ATOM 406 O ASN A 29 9.416 -5.012 -1.086 1.00 0.00 O ATOM 407 CB ASN A 29 12.263 -4.990 -1.903 1.00 0.00 C ATOM 408 CG ASN A 29 12.010 -5.682 -3.230 1.00 0.00 C ATOM 409 OD1 ASN A 29 11.187 -6.597 -3.324 1.00 0.00 O ATOM 410 ND2 ASN A 29 12.716 -5.253 -4.262 1.00 0.00 N ATOM 0 H ASN A 29 11.181 -3.750 0.397 1.00 0.00 H new ATOM 0 HA ASN A 29 11.602 -3.020 -2.438 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.305 -4.674 -1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.108 -5.701 -1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.590 -5.681 -5.179 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.386 -4.494 -4.141 1.00 0.00 H new ATOM 417 N TRP A 30 9.216 -3.598 -2.839 1.00 0.00 N ATOM 418 CA TRP A 30 7.774 -3.797 -3.032 1.00 0.00 C ATOM 419 C TRP A 30 7.347 -5.246 -2.815 1.00 0.00 C ATOM 420 O TRP A 30 6.490 -5.525 -1.979 1.00 0.00 O ATOM 421 CB TRP A 30 7.347 -3.325 -4.419 1.00 0.00 C ATOM 422 CG TRP A 30 6.056 -3.912 -4.845 1.00 0.00 C ATOM 423 CD1 TRP A 30 5.866 -4.673 -5.927 1.00 0.00 C ATOM 424 CD2 TRP A 30 4.797 -3.808 -4.187 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.556 -5.072 -6.010 1.00 0.00 N ATOM 426 CE2 TRP A 30 3.874 -4.548 -4.945 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.364 -3.164 -3.032 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.536 -4.660 -4.583 1.00 0.00 C ATOM 429 CZ3 TRP A 30 3.042 -3.272 -2.672 1.00 0.00 C ATOM 430 CH2 TRP A 30 2.137 -4.015 -3.443 1.00 0.00 C ATOM 0 H TRP A 30 9.643 -2.976 -3.525 1.00 0.00 H new ATOM 0 HA TRP A 30 7.271 -3.196 -2.275 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.266 -2.238 -4.421 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.119 -3.588 -5.142 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.636 -4.937 -6.637 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.157 -5.660 -6.742 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.053 -2.590 -2.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 1.839 -5.233 -5.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.694 -2.775 -1.778 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.105 -4.080 -3.132 1.00 0.00 H new ATOM 441 N LEU A 31 7.968 -6.152 -3.543 1.00 0.00 N ATOM 442 CA LEU A 31 7.591 -7.546 -3.534 1.00 0.00 C ATOM 443 C LEU A 31 7.731 -8.140 -2.146 1.00 0.00 C ATOM 444 O LEU A 31 6.804 -8.752 -1.627 1.00 0.00 O ATOM 445 CB LEU A 31 8.465 -8.295 -4.513 1.00 0.00 C ATOM 446 CG LEU A 31 8.250 -7.939 -5.982 1.00 0.00 C ATOM 447 CD1 LEU A 31 6.783 -8.058 -6.366 1.00 0.00 C ATOM 448 CD2 LEU A 31 8.797 -6.561 -6.338 1.00 0.00 C ATOM 0 H LEU A 31 8.752 -5.938 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 31 6.545 -7.633 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.509 -8.109 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.292 -9.364 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 31 8.819 -8.664 -6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.660 -7.799 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.446 -9.082 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.190 -7.379 -5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.617 -6.360 -7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.297 -5.804 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.869 -6.533 -6.141 1.00 0.00 H new ATOM 460 N SER A 32 8.901 -7.957 -1.560 1.00 0.00 N ATOM 461 CA SER A 32 9.168 -8.375 -0.203 1.00 0.00 C ATOM 462 C SER A 32 8.195 -7.765 0.801 1.00 0.00 C ATOM 463 O SER A 32 7.741 -8.432 1.729 1.00 0.00 O ATOM 464 CB SER A 32 10.578 -7.964 0.160 1.00 0.00 C ATOM 465 OG SER A 32 11.540 -8.709 -0.567 1.00 0.00 O ATOM 0 H SER A 32 9.695 -7.511 -2.019 1.00 0.00 H new ATOM 0 HA SER A 32 9.045 -9.457 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.711 -6.901 -0.041 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.736 -8.108 1.229 1.00 0.00 H new ATOM 0 HG SER A 32 12.440 -8.419 -0.311 1.00 0.00 H new ATOM 471 N VAL A 33 7.883 -6.494 0.629 1.00 0.00 N ATOM 472 CA VAL A 33 6.940 -5.836 1.513 1.00 0.00 C ATOM 473 C VAL A 33 5.546 -6.413 1.286 1.00 0.00 C ATOM 474 O VAL A 33 4.728 -6.443 2.190 1.00 0.00 O ATOM 475 CB VAL A 33 6.930 -4.296 1.310 1.00 0.00 C ATOM 476 CG1 VAL A 33 6.018 -3.609 2.307 1.00 0.00 C ATOM 477 CG2 VAL A 33 8.334 -3.734 1.423 1.00 0.00 C ATOM 0 H VAL A 33 8.265 -5.901 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 33 7.252 -6.020 2.541 1.00 0.00 H new ATOM 0 HB VAL A 33 6.546 -4.101 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.036 -2.533 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.000 -3.979 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.361 -3.820 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.306 -2.654 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.737 -3.957 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.969 -4.186 0.661 1.00 0.00 H new ATOM 487 N SER A 34 5.301 -6.893 0.073 1.00 0.00 N ATOM 488 CA SER A 34 4.056 -7.577 -0.256 1.00 0.00 C ATOM 489 C SER A 34 4.048 -8.983 0.345 1.00 0.00 C ATOM 490 O SER A 34 2.999 -9.501 0.710 1.00 0.00 O ATOM 491 CB SER A 34 3.886 -7.647 -1.774 1.00 0.00 C ATOM 492 OG SER A 34 3.963 -6.359 -2.344 1.00 0.00 O ATOM 0 H SER A 34 5.955 -6.820 -0.706 1.00 0.00 H new ATOM 0 HA SER A 34 3.222 -7.016 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.658 -8.286 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.925 -8.101 -2.017 1.00 0.00 H new ATOM 0 HG SER A 34 4.902 -6.086 -2.409 1.00 0.00 H new ATOM 498 N ARG A 35 5.228 -9.596 0.434 1.00 0.00 N ATOM 499 CA ARG A 35 5.414 -10.829 1.159 1.00 0.00 C ATOM 500 C ARG A 35 4.911 -10.656 2.570 1.00 0.00 C ATOM 501 O ARG A 35 4.092 -11.412 3.083 1.00 0.00 O ATOM 502 CB ARG A 35 6.890 -11.124 1.226 1.00 0.00 C ATOM 503 CG ARG A 35 7.545 -11.253 -0.096 1.00 0.00 C ATOM 504 CD ARG A 35 7.058 -12.472 -0.821 1.00 0.00 C ATOM 505 NE ARG A 35 7.852 -12.777 -2.005 1.00 0.00 N ATOM 506 CZ ARG A 35 7.930 -13.990 -2.539 1.00 0.00 C ATOM 507 NH1 ARG A 35 7.205 -14.986 -2.041 1.00 0.00 N ATOM 508 NH2 ARG A 35 8.721 -14.205 -3.581 1.00 0.00 N ATOM 0 H ARG A 35 6.079 -9.240 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 35 4.875 -11.635 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.383 -10.330 1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.039 -12.048 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.342 -10.365 -0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.626 -11.310 0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.080 -13.326 -0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.018 -12.325 -1.114 1.00 0.00 H new ATOM 0 HE ARG A 35 8.374 -12.020 -2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.587 -14.819 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.267 -15.917 -2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.269 -13.439 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.781 -15.137 -3.992 1.00 0.00 H new ATOM 522 N LYS A 36 5.470 -9.644 3.181 1.00 0.00 N ATOM 523 CA LYS A 36 5.098 -9.209 4.510 1.00 0.00 C ATOM 524 C LYS A 36 3.623 -8.827 4.599 1.00 0.00 C ATOM 525 O LYS A 36 2.876 -9.344 5.430 1.00 0.00 O ATOM 526 CB LYS A 36 6.008 -8.058 4.878 1.00 0.00 C ATOM 527 CG LYS A 36 7.374 -8.581 5.116 1.00 0.00 C ATOM 528 CD LYS A 36 7.561 -8.894 6.542 1.00 0.00 C ATOM 529 CE LYS A 36 8.726 -9.830 6.761 1.00 0.00 C ATOM 530 NZ LYS A 36 9.836 -9.613 5.799 1.00 0.00 N ATOM 0 H LYS A 36 6.213 -9.084 2.763 1.00 0.00 H new ATOM 0 HA LYS A 36 5.222 -10.027 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.022 -7.318 4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.637 -7.555 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.537 -9.476 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.113 -7.845 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.726 -7.971 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.652 -9.346 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.102 -9.701 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.378 -10.860 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.705 -10.048 6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.593 -10.046 4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.988 -8.592 5.669 1.00 0.00 H new ATOM 544 N MET A 37 3.219 -7.958 3.704 1.00 0.00 N ATOM 545 CA MET A 37 1.862 -7.405 3.692 1.00 0.00 C ATOM 546 C MET A 37 0.773 -8.438 3.365 1.00 0.00 C ATOM 547 O MET A 37 -0.380 -8.248 3.742 1.00 0.00 O ATOM 548 CB MET A 37 1.780 -6.233 2.711 1.00 0.00 C ATOM 549 CG MET A 37 2.159 -4.894 3.328 1.00 0.00 C ATOM 550 SD MET A 37 1.786 -3.492 2.254 1.00 0.00 S ATOM 551 CE MET A 37 2.653 -3.946 0.753 1.00 0.00 C ATOM 0 H MET A 37 3.815 -7.605 2.955 1.00 0.00 H new ATOM 0 HA MET A 37 1.665 -7.064 4.708 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.437 -6.432 1.864 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.765 -6.169 2.319 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.629 -4.772 4.273 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.224 -4.895 3.558 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.184 -3.078 0.362 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.367 -4.740 0.971 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.936 -4.297 0.011 1.00 0.00 H new ATOM 561 N GLN A 38 1.122 -9.527 2.682 1.00 0.00 N ATOM 562 CA GLN A 38 0.121 -10.523 2.273 1.00 0.00 C ATOM 563 C GLN A 38 -0.482 -11.224 3.481 1.00 0.00 C ATOM 564 O GLN A 38 -1.576 -11.778 3.414 1.00 0.00 O ATOM 565 CB GLN A 38 0.730 -11.542 1.306 1.00 0.00 C ATOM 566 CG GLN A 38 1.612 -12.598 1.958 1.00 0.00 C ATOM 567 CD GLN A 38 0.851 -13.856 2.332 1.00 0.00 C ATOM 568 OE1 GLN A 38 -0.112 -14.233 1.667 1.00 0.00 O ATOM 569 NE2 GLN A 38 1.280 -14.518 3.397 1.00 0.00 N ATOM 0 H GLN A 38 2.078 -9.745 2.401 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.680 -9.996 1.755 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.078 -12.043 0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.319 -11.007 0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.422 -12.859 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.071 -12.178 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.083 -14.173 3.923 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.807 -15.373 3.691 1.00 0.00 H new ATOM 578 N ALA A 39 0.233 -11.177 4.590 1.00 0.00 N ATOM 579 CA ALA A 39 -0.252 -11.761 5.833 1.00 0.00 C ATOM 580 C ALA A 39 -1.292 -10.853 6.483 1.00 0.00 C ATOM 581 O ALA A 39 -1.775 -11.120 7.585 1.00 0.00 O ATOM 582 CB ALA A 39 0.905 -12.023 6.785 1.00 0.00 C ATOM 0 H ALA A 39 1.152 -10.741 4.658 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.729 -12.714 5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.525 -12.459 7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.609 -12.713 6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.412 -11.084 7.009 1.00 0.00 H new ATOM 588 N SER A 40 -1.627 -9.776 5.784 1.00 0.00 N ATOM 589 CA SER A 40 -2.598 -8.818 6.256 1.00 0.00 C ATOM 590 C SER A 40 -3.722 -8.652 5.233 1.00 0.00 C ATOM 591 O SER A 40 -3.488 -8.314 4.064 1.00 0.00 O ATOM 592 CB SER A 40 -1.918 -7.474 6.510 1.00 0.00 C ATOM 593 OG SER A 40 -0.811 -7.621 7.385 1.00 0.00 O ATOM 0 H SER A 40 -1.228 -9.549 4.873 1.00 0.00 H new ATOM 0 HA SER A 40 -3.028 -9.183 7.189 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.584 -7.047 5.564 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.635 -6.775 6.940 1.00 0.00 H new ATOM 0 HG SER A 40 -0.391 -6.748 7.531 1.00 0.00 H new ATOM 599 N PRO A 41 -4.959 -8.895 5.679 1.00 0.00 N ATOM 600 CA PRO A 41 -6.167 -8.736 4.864 1.00 0.00 C ATOM 601 C PRO A 41 -6.283 -7.345 4.316 1.00 0.00 C ATOM 602 O PRO A 41 -6.939 -7.107 3.307 1.00 0.00 O ATOM 603 CB PRO A 41 -7.315 -9.005 5.834 1.00 0.00 C ATOM 604 CG PRO A 41 -6.717 -8.988 7.184 1.00 0.00 C ATOM 605 CD PRO A 41 -5.269 -9.349 7.031 1.00 0.00 C ATOM 0 HA PRO A 41 -6.162 -9.406 4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.091 -8.245 5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.784 -9.967 5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.822 -8.003 7.639 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.224 -9.697 7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.648 -8.852 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.106 -10.421 7.144 1.00 0.00 H new ATOM 613 N GLU A 42 -5.646 -6.441 5.010 1.00 0.00 N ATOM 614 CA GLU A 42 -5.594 -5.059 4.603 1.00 0.00 C ATOM 615 C GLU A 42 -4.979 -4.916 3.213 1.00 0.00 C ATOM 616 O GLU A 42 -5.601 -4.366 2.295 1.00 0.00 O ATOM 617 CB GLU A 42 -4.814 -4.247 5.625 1.00 0.00 C ATOM 618 CG GLU A 42 -5.112 -4.607 7.077 1.00 0.00 C ATOM 619 CD GLU A 42 -6.594 -4.697 7.392 1.00 0.00 C ATOM 620 OE1 GLU A 42 -7.405 -4.089 6.669 1.00 0.00 O ATOM 621 OE2 GLU A 42 -6.948 -5.385 8.372 1.00 0.00 O ATOM 0 H GLU A 42 -5.146 -6.641 5.877 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.613 -4.676 4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.748 -4.382 5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.032 -3.190 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.642 -5.563 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.656 -3.861 7.728 1.00 0.00 H new ATOM 628 N TYR A 43 -3.766 -5.431 3.064 1.00 0.00 N ATOM 629 CA TYR A 43 -3.084 -5.442 1.778 1.00 0.00 C ATOM 630 C TYR A 43 -3.921 -6.180 0.741 1.00 0.00 C ATOM 631 O TYR A 43 -4.079 -5.716 -0.386 1.00 0.00 O ATOM 632 CB TYR A 43 -1.700 -6.087 1.941 1.00 0.00 C ATOM 633 CG TYR A 43 -1.152 -6.762 0.695 1.00 0.00 C ATOM 634 CD1 TYR A 43 -0.429 -6.053 -0.257 1.00 0.00 C ATOM 635 CD2 TYR A 43 -1.354 -8.120 0.483 1.00 0.00 C ATOM 636 CE1 TYR A 43 0.069 -6.681 -1.386 1.00 0.00 C ATOM 637 CE2 TYR A 43 -0.859 -8.751 -0.638 1.00 0.00 C ATOM 638 CZ TYR A 43 -0.151 -8.031 -1.568 1.00 0.00 C ATOM 639 OH TYR A 43 0.331 -8.660 -2.692 1.00 0.00 O ATOM 0 H TYR A 43 -3.231 -5.850 3.825 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.951 -4.419 1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.994 -5.320 2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.752 -6.825 2.742 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.253 -4.997 -0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.910 -8.693 1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.626 -6.118 -2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.027 -9.808 -0.784 1.00 0.00 H new ATOM 0 HH TYR A 43 0.090 -9.609 -2.664 1.00 0.00 H new ATOM 649 N GLN A 44 -4.468 -7.323 1.140 1.00 0.00 N ATOM 650 CA GLN A 44 -5.300 -8.133 0.252 1.00 0.00 C ATOM 651 C GLN A 44 -6.474 -7.340 -0.285 1.00 0.00 C ATOM 652 O GLN A 44 -6.625 -7.168 -1.492 1.00 0.00 O ATOM 653 CB GLN A 44 -5.852 -9.322 1.006 1.00 0.00 C ATOM 654 CG GLN A 44 -4.793 -10.167 1.655 1.00 0.00 C ATOM 655 CD GLN A 44 -4.035 -11.030 0.660 1.00 0.00 C ATOM 656 OE1 GLN A 44 -3.864 -10.661 -0.503 1.00 0.00 O ATOM 657 NE2 GLN A 44 -3.574 -12.184 1.108 1.00 0.00 N ATOM 0 H GLN A 44 -4.351 -7.712 2.076 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.670 -8.454 -0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.542 -8.968 1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.429 -9.941 0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.089 -9.520 2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.256 -10.808 2.406 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.735 -12.456 2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.057 -12.803 0.484 1.00 0.00 H new ATOM 666 N ASP A 45 -7.312 -6.901 0.642 1.00 0.00 N ATOM 667 CA ASP A 45 -8.528 -6.142 0.322 1.00 0.00 C ATOM 668 C ASP A 45 -8.263 -5.044 -0.699 1.00 0.00 C ATOM 669 O ASP A 45 -8.959 -4.947 -1.708 1.00 0.00 O ATOM 670 CB ASP A 45 -9.137 -5.525 1.585 1.00 0.00 C ATOM 671 CG ASP A 45 -10.565 -5.055 1.368 1.00 0.00 C ATOM 672 OD1 ASP A 45 -11.486 -5.904 1.417 1.00 0.00 O ATOM 673 OD2 ASP A 45 -10.781 -3.847 1.158 1.00 0.00 O ATOM 0 H ASP A 45 -7.175 -7.057 1.641 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.233 -6.851 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.117 -6.259 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.525 -4.682 1.906 1.00 0.00 H new ATOM 678 N TYR A 46 -7.238 -4.243 -0.451 1.00 0.00 N ATOM 679 CA TYR A 46 -6.900 -3.144 -1.352 1.00 0.00 C ATOM 680 C TYR A 46 -6.456 -3.650 -2.706 1.00 0.00 C ATOM 681 O TYR A 46 -6.868 -3.117 -3.740 1.00 0.00 O ATOM 682 CB TYR A 46 -5.818 -2.239 -0.759 1.00 0.00 C ATOM 683 CG TYR A 46 -5.388 -1.150 -1.715 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.207 -0.058 -1.959 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.178 -1.228 -2.398 1.00 0.00 C ATOM 686 CE1 TYR A 46 -5.834 0.927 -2.850 1.00 0.00 C ATOM 687 CE2 TYR A 46 -3.803 -0.247 -3.294 1.00 0.00 C ATOM 688 CZ TYR A 46 -4.633 0.828 -3.515 1.00 0.00 C ATOM 689 OH TYR A 46 -4.271 1.802 -4.416 1.00 0.00 O ATOM 0 H TYR A 46 -6.627 -4.330 0.361 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.810 -2.558 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.191 -1.786 0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.952 -2.843 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.152 0.023 -1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.523 -2.069 -2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.482 1.773 -3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.862 -0.323 -3.819 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.395 1.585 -4.798 1.00 0.00 H new ATOM 699 N VAL A 47 -5.630 -4.672 -2.711 1.00 0.00 N ATOM 700 CA VAL A 47 -5.110 -5.193 -3.953 1.00 0.00 C ATOM 701 C VAL A 47 -6.213 -5.898 -4.745 1.00 0.00 C ATOM 702 O VAL A 47 -6.140 -6.036 -5.968 1.00 0.00 O ATOM 703 CB VAL A 47 -3.906 -6.133 -3.701 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.481 -6.874 -4.960 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.738 -5.342 -3.138 1.00 0.00 C ATOM 0 H VAL A 47 -5.306 -5.156 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.751 -4.356 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.223 -6.883 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.633 -7.521 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.312 -7.479 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.193 -6.154 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.896 -6.011 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.446 -4.569 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.033 -4.878 -2.197 1.00 0.00 H new ATOM 715 N TYR A 48 -7.249 -6.306 -4.037 1.00 0.00 N ATOM 716 CA TYR A 48 -8.409 -6.914 -4.638 1.00 0.00 C ATOM 717 C TYR A 48 -9.232 -5.864 -5.377 1.00 0.00 C ATOM 718 O TYR A 48 -9.580 -6.037 -6.545 1.00 0.00 O ATOM 719 CB TYR A 48 -9.218 -7.566 -3.526 1.00 0.00 C ATOM 720 CG TYR A 48 -10.669 -7.766 -3.845 1.00 0.00 C ATOM 721 CD1 TYR A 48 -11.103 -8.857 -4.572 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.599 -6.852 -3.401 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.446 -9.034 -4.849 1.00 0.00 C ATOM 724 CE2 TYR A 48 -12.942 -7.012 -3.673 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.361 -8.107 -4.397 1.00 0.00 C ATOM 726 OH TYR A 48 -14.698 -8.276 -4.668 1.00 0.00 O ATOM 0 H TYR A 48 -7.305 -6.222 -3.022 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.115 -7.667 -5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.774 -8.534 -3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.138 -6.952 -2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.385 -9.581 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.271 -5.996 -2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.776 -9.892 -5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.659 -6.285 -3.321 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.207 -7.535 -4.278 1.00 0.00 H new ATOM 736 N LEU A 49 -9.539 -4.785 -4.670 1.00 0.00 N ATOM 737 CA LEU A 49 -10.298 -3.667 -5.236 1.00 0.00 C ATOM 738 C LEU A 49 -9.545 -3.037 -6.395 1.00 0.00 C ATOM 739 O LEU A 49 -10.013 -3.013 -7.536 1.00 0.00 O ATOM 740 CB LEU A 49 -10.519 -2.587 -4.180 1.00 0.00 C ATOM 741 CG LEU A 49 -11.044 -3.080 -2.847 1.00 0.00 C ATOM 742 CD1 LEU A 49 -10.963 -1.977 -1.807 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.475 -3.577 -2.980 1.00 0.00 C ATOM 0 H LEU A 49 -9.273 -4.656 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.253 -4.062 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.575 -2.070 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.219 -1.852 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.422 -3.914 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.344 -2.346 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.925 -1.666 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.562 -1.126 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.831 -3.926 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.112 -2.764 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.510 -4.398 -3.696 1.00 0.00 H new ATOM 755 N GLU A 50 -8.374 -2.522 -6.073 1.00 0.00 N ATOM 756 CA GLU A 50 -7.560 -1.794 -7.038 1.00 0.00 C ATOM 757 C GLU A 50 -6.720 -2.729 -7.895 1.00 0.00 C ATOM 758 O GLU A 50 -7.030 -2.967 -9.064 1.00 0.00 O ATOM 759 CB GLU A 50 -6.648 -0.800 -6.322 1.00 0.00 C ATOM 760 CG GLU A 50 -7.392 0.354 -5.691 1.00 0.00 C ATOM 761 CD GLU A 50 -7.963 1.298 -6.722 1.00 0.00 C ATOM 762 OE1 GLU A 50 -9.101 1.069 -7.176 1.00 0.00 O ATOM 763 OE2 GLU A 50 -7.270 2.267 -7.091 1.00 0.00 O ATOM 0 H GLU A 50 -7.959 -2.593 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.244 -1.257 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.086 -1.326 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.921 -0.408 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.199 -0.033 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.718 0.902 -5.033 1.00 0.00 H new ATOM 770 N GLY A 51 -5.652 -3.245 -7.314 1.00 0.00 N ATOM 771 CA GLY A 51 -4.772 -4.134 -8.037 1.00 0.00 C ATOM 772 C GLY A 51 -3.366 -4.107 -7.488 1.00 0.00 C ATOM 773 O GLY A 51 -2.967 -3.139 -6.836 1.00 0.00 O ATOM 0 H GLY A 51 -5.377 -3.063 -6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.162 -5.151 -7.986 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.756 -3.851 -9.090 1.00 0.00 H new ATOM 777 N THR A 52 -2.614 -5.164 -7.757 1.00 0.00 N ATOM 778 CA THR A 52 -1.260 -5.302 -7.252 1.00 0.00 C ATOM 779 C THR A 52 -0.361 -4.198 -7.789 1.00 0.00 C ATOM 780 O THR A 52 0.466 -3.650 -7.067 1.00 0.00 O ATOM 781 CB THR A 52 -0.669 -6.662 -7.646 1.00 0.00 C ATOM 782 OG1 THR A 52 -1.734 -7.604 -7.857 1.00 0.00 O ATOM 783 CG2 THR A 52 0.263 -7.175 -6.561 1.00 0.00 C ATOM 0 H THR A 52 -2.926 -5.948 -8.330 1.00 0.00 H new ATOM 0 HA THR A 52 -1.309 -5.227 -6.166 1.00 0.00 H new ATOM 0 HB THR A 52 -0.097 -6.543 -8.566 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.357 -8.472 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.672 -8.140 -6.859 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.077 -6.465 -6.415 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.291 -7.288 -5.629 1.00 0.00 H new ATOM 791 N GLN A 53 -0.546 -3.860 -9.058 1.00 0.00 N ATOM 792 CA GLN A 53 0.280 -2.849 -9.698 1.00 0.00 C ATOM 793 C GLN A 53 -0.012 -1.457 -9.142 1.00 0.00 C ATOM 794 O GLN A 53 0.887 -0.634 -9.049 1.00 0.00 O ATOM 795 CB GLN A 53 0.102 -2.877 -11.212 1.00 0.00 C ATOM 796 CG GLN A 53 -1.305 -2.607 -11.655 1.00 0.00 C ATOM 797 CD GLN A 53 -1.435 -2.522 -13.161 1.00 0.00 C ATOM 798 OE1 GLN A 53 -0.509 -2.103 -13.854 1.00 0.00 O ATOM 799 NE2 GLN A 53 -2.580 -2.932 -13.680 1.00 0.00 N ATOM 0 H GLN A 53 -1.259 -4.270 -9.662 1.00 0.00 H new ATOM 0 HA GLN A 53 1.321 -3.084 -9.474 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.764 -2.137 -11.661 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.412 -3.852 -11.588 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.957 -3.396 -11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.649 -1.673 -11.211 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.323 -3.273 -13.070 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.720 -2.908 -14.690 1.00 0.00 H new ATOM 808 N LYS A 54 -1.259 -1.204 -8.751 1.00 0.00 N ATOM 809 CA LYS A 54 -1.631 0.082 -8.163 1.00 0.00 C ATOM 810 C LYS A 54 -1.170 0.171 -6.723 1.00 0.00 C ATOM 811 O LYS A 54 -0.869 1.245 -6.226 1.00 0.00 O ATOM 812 CB LYS A 54 -3.117 0.275 -8.238 1.00 0.00 C ATOM 813 CG LYS A 54 -3.643 0.093 -9.626 1.00 0.00 C ATOM 814 CD LYS A 54 -5.059 0.601 -9.766 1.00 0.00 C ATOM 815 CE LYS A 54 -5.644 0.211 -11.111 1.00 0.00 C ATOM 816 NZ LYS A 54 -6.960 0.855 -11.365 1.00 0.00 N ATOM 0 H LYS A 54 -2.027 -1.870 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.139 0.871 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.607 -0.433 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.370 1.274 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.998 0.619 -10.330 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.609 -0.964 -9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.676 0.195 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.073 1.686 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.947 0.490 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.758 -0.872 -11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.318 0.558 -12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.635 0.569 -10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.849 1.889 -11.351 1.00 0.00 H new ATOM 830 N ALA A 55 -1.127 -0.966 -6.057 1.00 0.00 N ATOM 831 CA ALA A 55 -0.577 -1.043 -4.708 1.00 0.00 C ATOM 832 C ALA A 55 0.937 -0.906 -4.758 1.00 0.00 C ATOM 833 O ALA A 55 1.551 -0.342 -3.854 1.00 0.00 O ATOM 834 CB ALA A 55 -0.984 -2.352 -4.057 1.00 0.00 C ATOM 0 H ALA A 55 -1.466 -1.855 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.975 -0.225 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.569 -2.402 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.071 -2.410 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.604 -3.186 -4.648 1.00 0.00 H new ATOM 840 N LYS A 56 1.535 -1.418 -5.829 1.00 0.00 N ATOM 841 CA LYS A 56 2.929 -1.211 -6.095 1.00 0.00 C ATOM 842 C LYS A 56 3.150 0.256 -6.406 1.00 0.00 C ATOM 843 O LYS A 56 3.991 0.907 -5.812 1.00 0.00 O ATOM 844 CB LYS A 56 3.342 -2.092 -7.270 1.00 0.00 C ATOM 845 CG LYS A 56 4.814 -2.014 -7.573 1.00 0.00 C ATOM 846 CD LYS A 56 5.242 -3.009 -8.644 1.00 0.00 C ATOM 847 CE LYS A 56 6.729 -2.896 -8.954 1.00 0.00 C ATOM 848 NZ LYS A 56 7.108 -3.703 -10.143 1.00 0.00 N ATOM 0 H LYS A 56 1.056 -1.985 -6.528 1.00 0.00 H new ATOM 0 HA LYS A 56 3.537 -1.480 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.075 -3.126 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.778 -1.796 -8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.061 -1.004 -7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.380 -2.201 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.015 -4.022 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.666 -2.836 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.986 -1.851 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.306 -3.227 -8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.127 -3.600 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.886 -4.704 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.576 -3.370 -10.972 1.00 0.00 H new ATOM 862 N LYS A 57 2.369 0.760 -7.341 1.00 0.00 N ATOM 863 CA LYS A 57 2.296 2.169 -7.630 1.00 0.00 C ATOM 864 C LYS A 57 2.124 2.993 -6.348 1.00 0.00 C ATOM 865 O LYS A 57 2.778 4.018 -6.173 1.00 0.00 O ATOM 866 CB LYS A 57 1.117 2.367 -8.579 1.00 0.00 C ATOM 867 CG LYS A 57 1.520 2.854 -9.939 1.00 0.00 C ATOM 868 CD LYS A 57 2.103 1.711 -10.696 1.00 0.00 C ATOM 869 CE LYS A 57 2.901 2.185 -11.881 1.00 0.00 C ATOM 870 NZ LYS A 57 3.549 1.059 -12.602 1.00 0.00 N ATOM 0 H LYS A 57 1.760 0.189 -7.927 1.00 0.00 H new ATOM 0 HA LYS A 57 3.222 2.515 -8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.582 1.423 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.421 3.080 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.657 3.258 -10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.247 3.661 -9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.742 1.124 -10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.304 1.052 -11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.247 2.725 -12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.664 2.888 -11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.088 1.429 -13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.193 0.558 -11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.820 0.401 -12.944 1.00 0.00 H new ATOM 884 N LEU A 58 1.262 2.521 -5.452 1.00 0.00 N ATOM 885 CA LEU A 58 1.031 3.177 -4.168 1.00 0.00 C ATOM 886 C LEU A 58 2.300 3.106 -3.310 1.00 0.00 C ATOM 887 O LEU A 58 2.699 4.092 -2.683 1.00 0.00 O ATOM 888 CB LEU A 58 -0.160 2.509 -3.458 1.00 0.00 C ATOM 889 CG LEU A 58 -0.678 3.189 -2.194 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.441 4.693 -2.227 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.163 2.919 -2.029 1.00 0.00 C ATOM 0 H LEU A 58 0.706 1.677 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 58 0.791 4.228 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.984 2.440 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.126 1.489 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.128 2.774 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.823 5.142 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.628 4.891 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.958 5.124 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.523 3.408 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.702 3.310 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.331 1.845 -1.952 1.00 0.00 H new ATOM 903 N PHE A 59 2.916 1.929 -3.289 1.00 0.00 N ATOM 904 CA PHE A 59 4.236 1.744 -2.691 1.00 0.00 C ATOM 905 C PHE A 59 5.206 2.795 -3.226 1.00 0.00 C ATOM 906 O PHE A 59 5.803 3.541 -2.457 1.00 0.00 O ATOM 907 CB PHE A 59 4.745 0.327 -3.003 1.00 0.00 C ATOM 908 CG PHE A 59 6.184 0.072 -2.649 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.580 -0.021 -1.329 1.00 0.00 C ATOM 910 CD2 PHE A 59 7.144 -0.074 -3.644 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.901 -0.257 -1.004 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.465 -0.306 -3.322 1.00 0.00 C ATOM 913 CZ PHE A 59 8.844 -0.399 -2.001 1.00 0.00 C ATOM 0 H PHE A 59 2.517 1.078 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 59 4.166 1.864 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.123 -0.391 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.610 0.136 -4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.848 0.092 -0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.852 -0.005 -4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.197 -0.331 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.201 -0.415 -4.105 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.877 -0.583 -1.746 1.00 0.00 H new ATOM 923 N LEU A 60 5.320 2.856 -4.550 1.00 0.00 N ATOM 924 CA LEU A 60 6.199 3.806 -5.234 1.00 0.00 C ATOM 925 C LEU A 60 5.983 5.233 -4.748 1.00 0.00 C ATOM 926 O LEU A 60 6.938 5.948 -4.431 1.00 0.00 O ATOM 927 CB LEU A 60 5.946 3.761 -6.740 1.00 0.00 C ATOM 928 CG LEU A 60 6.758 2.769 -7.547 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.232 3.125 -7.506 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.556 1.343 -7.078 1.00 0.00 C ATOM 0 H LEU A 60 4.804 2.246 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 60 7.225 3.514 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.890 3.543 -6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.130 4.757 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 60 6.401 2.830 -8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.798 2.400 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.377 4.121 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.582 3.109 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.159 0.670 -7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.859 1.257 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.504 1.074 -7.174 1.00 0.00 H new ATOM 942 N GLN A 61 4.731 5.648 -4.734 1.00 0.00 N ATOM 943 CA GLN A 61 4.347 6.960 -4.228 1.00 0.00 C ATOM 944 C GLN A 61 4.878 7.203 -2.835 1.00 0.00 C ATOM 945 O GLN A 61 5.660 8.122 -2.606 1.00 0.00 O ATOM 946 CB GLN A 61 2.846 7.066 -4.171 1.00 0.00 C ATOM 947 CG GLN A 61 2.171 6.939 -5.503 1.00 0.00 C ATOM 948 CD GLN A 61 2.359 8.140 -6.382 1.00 0.00 C ATOM 949 OE1 GLN A 61 3.391 8.817 -6.360 1.00 0.00 O ATOM 950 NE2 GLN A 61 1.332 8.426 -7.147 1.00 0.00 N ATOM 0 H GLN A 61 3.948 5.088 -5.072 1.00 0.00 H new ATOM 0 HA GLN A 61 4.770 7.701 -4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.463 6.291 -3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.577 8.026 -3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.558 6.058 -6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.105 6.775 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.502 7.834 -7.128 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.364 9.240 -7.760 1.00 0.00 H new ATOM 959 N HIS A 62 4.411 6.394 -1.903 1.00 0.00 N ATOM 960 CA HIS A 62 4.864 6.486 -0.517 1.00 0.00 C ATOM 961 C HIS A 62 6.382 6.439 -0.443 1.00 0.00 C ATOM 962 O HIS A 62 6.976 7.142 0.369 1.00 0.00 O ATOM 963 CB HIS A 62 4.263 5.366 0.334 1.00 0.00 C ATOM 964 CG HIS A 62 4.575 5.513 1.790 1.00 0.00 C ATOM 965 ND1 HIS A 62 5.434 4.674 2.466 1.00 0.00 N ATOM 966 CD2 HIS A 62 4.155 6.426 2.696 1.00 0.00 C ATOM 967 CE1 HIS A 62 5.528 5.066 3.719 1.00 0.00 C ATOM 968 NE2 HIS A 62 4.764 6.128 3.886 1.00 0.00 N ATOM 0 H HIS A 62 3.719 5.665 -2.074 1.00 0.00 H new ATOM 0 HA HIS A 62 4.522 7.442 -0.119 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.182 5.353 0.198 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.640 4.406 -0.019 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.467 7.239 2.514 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.130 4.596 4.483 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.646 6.643 4.758 1.00 0.00 H new ATOM 977 N ILE A 63 7.005 5.629 -1.296 1.00 0.00 N ATOM 978 CA ILE A 63 8.456 5.598 -1.385 1.00 0.00 C ATOM 979 C ILE A 63 8.987 6.995 -1.635 1.00 0.00 C ATOM 980 O ILE A 63 9.870 7.465 -0.929 1.00 0.00 O ATOM 981 CB ILE A 63 8.949 4.651 -2.486 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.687 3.219 -2.057 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.433 4.857 -2.779 1.00 0.00 C ATOM 984 CD1 ILE A 63 9.296 2.858 -0.726 1.00 0.00 C ATOM 0 H ILE A 63 6.527 4.990 -1.931 1.00 0.00 H new ATOM 0 HA ILE A 63 8.833 5.221 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 63 8.405 4.868 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.610 3.056 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.078 2.545 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.748 4.169 -3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.600 5.883 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.012 4.666 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.065 1.819 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.377 2.987 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.887 3.506 0.049 1.00 0.00 H new ATOM 996 N HIS A 64 8.371 7.669 -2.597 1.00 0.00 N ATOM 997 CA HIS A 64 8.745 9.021 -2.983 1.00 0.00 C ATOM 998 C HIS A 64 8.595 9.944 -1.800 1.00 0.00 C ATOM 999 O HIS A 64 9.479 10.735 -1.493 1.00 0.00 O ATOM 1000 CB HIS A 64 7.842 9.452 -4.151 1.00 0.00 C ATOM 1001 CG HIS A 64 7.786 10.900 -4.418 1.00 0.00 C ATOM 1002 ND1 HIS A 64 7.429 11.744 -3.449 1.00 0.00 N ATOM 1003 CD2 HIS A 64 8.019 11.641 -5.521 1.00 0.00 C ATOM 1004 CE1 HIS A 64 7.437 12.979 -3.904 1.00 0.00 C ATOM 1005 NE2 HIS A 64 7.788 12.950 -5.178 1.00 0.00 N ATOM 0 H HIS A 64 7.592 7.289 -3.135 1.00 0.00 H new ATOM 0 HA HIS A 64 9.786 9.062 -3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.184 8.948 -5.055 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.830 9.099 -3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.328 11.274 -6.489 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.198 13.865 -3.334 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.872 13.757 -5.796 1.00 0.00 H new ATOM 1014 N ARG A 65 7.443 9.862 -1.190 1.00 0.00 N ATOM 1015 CA ARG A 65 7.097 10.648 -0.036 1.00 0.00 C ATOM 1016 C ARG A 65 8.118 10.502 1.091 1.00 0.00 C ATOM 1017 O ARG A 65 8.550 11.484 1.686 1.00 0.00 O ATOM 1018 CB ARG A 65 5.747 10.195 0.397 1.00 0.00 C ATOM 1019 CG ARG A 65 4.741 10.209 -0.727 1.00 0.00 C ATOM 1020 CD ARG A 65 4.761 11.510 -1.505 1.00 0.00 C ATOM 1021 NE ARG A 65 3.466 11.772 -2.134 1.00 0.00 N ATOM 1022 CZ ARG A 65 3.081 12.948 -2.641 1.00 0.00 C ATOM 1023 NH1 ARG A 65 3.891 14.000 -2.623 1.00 0.00 N ATOM 1024 NH2 ARG A 65 1.867 13.066 -3.166 1.00 0.00 N ATOM 0 H ARG A 65 6.700 9.231 -1.490 1.00 0.00 H new ATOM 0 HA ARG A 65 7.095 11.708 -0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.819 9.186 0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.394 10.838 1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.946 9.380 -1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.743 10.048 -0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.016 12.332 -0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.537 11.468 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 65 2.805 10.997 -2.190 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.824 13.919 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.581 14.889 -3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.237 12.264 -3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.564 13.959 -3.555 1.00 0.00 H new ATOM 1038 N LEU A 66 8.480 9.267 1.371 1.00 0.00 N ATOM 1039 CA LEU A 66 9.549 8.946 2.322 1.00 0.00 C ATOM 1040 C LEU A 66 10.809 9.735 2.039 1.00 0.00 C ATOM 1041 O LEU A 66 11.399 10.352 2.925 1.00 0.00 O ATOM 1042 CB LEU A 66 9.850 7.458 2.235 1.00 0.00 C ATOM 1043 CG LEU A 66 8.679 6.599 2.645 1.00 0.00 C ATOM 1044 CD1 LEU A 66 8.918 5.147 2.297 1.00 0.00 C ATOM 1045 CD2 LEU A 66 8.410 6.759 4.129 1.00 0.00 C ATOM 0 H LEU A 66 8.045 8.447 0.949 1.00 0.00 H new ATOM 0 HA LEU A 66 9.211 9.213 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.137 7.209 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.704 7.227 2.871 1.00 0.00 H new ATOM 0 HG LEU A 66 7.800 6.931 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.057 4.553 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.061 5.049 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.809 4.791 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.563 6.135 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.292 6.455 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.182 7.802 4.347 1.00 0.00 H new ATOM 1057 N LYS A 67 11.208 9.683 0.792 1.00 0.00 N ATOM 1058 CA LYS A 67 12.416 10.373 0.333 1.00 0.00 C ATOM 1059 C LYS A 67 12.225 11.879 0.416 1.00 0.00 C ATOM 1060 O LYS A 67 13.085 12.608 0.907 1.00 0.00 O ATOM 1061 CB LYS A 67 12.734 9.995 -1.115 1.00 0.00 C ATOM 1062 CG LYS A 67 12.336 8.600 -1.466 1.00 0.00 C ATOM 1063 CD LYS A 67 12.831 8.174 -2.815 1.00 0.00 C ATOM 1064 CE LYS A 67 11.820 8.545 -3.883 1.00 0.00 C ATOM 1065 NZ LYS A 67 12.384 8.502 -5.255 1.00 0.00 N ATOM 0 H LYS A 67 10.717 9.168 0.061 1.00 0.00 H new ATOM 0 HA LYS A 67 13.242 10.070 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.225 10.689 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.804 10.114 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.723 7.916 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.249 8.521 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.788 8.652 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.003 7.098 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.971 7.864 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.440 9.547 -3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.648 8.764 -5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.177 9.171 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.722 7.540 -5.461 1.00 0.00 H new ATOM 1079 N HIS A 68 11.074 12.321 -0.070 1.00 0.00 N ATOM 1080 CA HIS A 68 10.753 13.721 -0.180 1.00 0.00 C ATOM 1081 C HIS A 68 9.306 13.898 -0.590 1.00 0.00 C ATOM 1082 O HIS A 68 8.991 13.913 -1.772 1.00 0.00 O ATOM 1083 CB HIS A 68 11.669 14.407 -1.186 1.00 0.00 C ATOM 1084 CG HIS A 68 11.778 13.731 -2.519 1.00 0.00 C ATOM 1085 ND1 HIS A 68 11.028 12.634 -2.851 1.00 0.00 N ATOM 1086 CD2 HIS A 68 12.553 13.995 -3.596 1.00 0.00 C ATOM 1087 CE1 HIS A 68 11.334 12.243 -4.073 1.00 0.00 C ATOM 1088 NE2 HIS A 68 12.257 13.054 -4.551 1.00 0.00 N ATOM 0 H HIS A 68 10.333 11.703 -0.401 1.00 0.00 H new ATOM 0 HA HIS A 68 10.903 14.183 0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.312 15.425 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 68 12.666 14.481 -0.752 1.00 0.00 H new ATOM 0 HD1 HIS A 68 10.339 12.188 -2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.271 14.797 -3.688 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.902 11.401 -4.594 1.00 0.00 H new ATOM 1097 N GLU A 69 8.427 14.010 0.379 1.00 0.00 N ATOM 1098 CA GLU A 69 7.008 14.096 0.080 1.00 0.00 C ATOM 1099 C GLU A 69 6.720 15.318 -0.776 1.00 0.00 C ATOM 1100 O GLU A 69 7.000 16.445 -0.321 1.00 0.00 O ATOM 1101 CB GLU A 69 6.153 14.131 1.336 1.00 0.00 C ATOM 1102 CG GLU A 69 4.740 13.674 1.068 1.00 0.00 C ATOM 1103 CD GLU A 69 3.747 14.076 2.137 1.00 0.00 C ATOM 1104 OE1 GLU A 69 3.289 15.239 2.122 1.00 0.00 O ATOM 1105 OE2 GLU A 69 3.393 13.221 2.975 1.00 0.00 O ATOM 1106 OXT GLU A 69 6.236 15.137 -1.910 1.00 0.00 O ATOM 0 H GLU A 69 8.661 14.044 1.371 1.00 0.00 H new ATOM 0 HA GLU A 69 6.744 13.193 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.602 13.494 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.137 15.145 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.413 14.082 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.733 12.588 0.971 1.00 0.00 H new TER 1113 GLU A 69