USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1012 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 39 HIS : no HE2:sc= -2.99! K(o=-14!,f=-15) USER MOD Set 1.2: A 120 CYS SG : rot -129:sc= -6! USER MOD Set 1.3: A 122 CYS SG : rot 88:sc= -1.08 USER MOD Set 1.4: A 127 CYS SG : rot -14:sc= -2.26 USER MOD Set 1.5: A 128 LYS NZ :NH3+ -124:sc= -1.72 (180deg=-5.85!) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0.105 USER MOD Set 2.2: A 101 ASN : amide:sc= -1.32 K(o=-1.2,f=0.21) USER MOD Set 2.3: A 103 MET CE :methyl -142:sc=-0.00956 (180deg=-0.0424) USER MOD Set 3.1: A 75 SER OG : rot 60:sc= -0.987 USER MOD Set 3.2: A 76 GLN : amide:sc= -9.37! C(o=-10!,f=-22!) USER MOD Set 4.1: A 56 SER OG : rot -121:sc= 0.191! USER MOD Set 4.2: A 89 TYR OH : rot 109:sc= -1.51! USER MOD Set 5.1: A 46 TYR OH : rot -62:sc= 1.12 USER MOD Set 5.2: A 82 CYS SG : rot -120:sc= -0.0792 USER MOD Set 6.1: A 23 ASN : amide:sc= -3.25 K(o=-3.4,f=-4.6!) USER MOD Set 6.2: A 67 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -7.14! C(o=-7.1!,f=-5.1!) USER MOD Single : A 19 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-1.2) USER MOD Single : A 35 ASN : amide:sc= -6.82! C(o=-6.8!,f=-18!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -33:sc= 0.527 USER MOD Single : A 45 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-1) USER MOD Single : A 48 SER OG : rot 60:sc= 0 USER MOD Single : A 50 SER OG : rot -150:sc=-0.00716 USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= -0.918 (180deg=-2.08!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.6!) USER MOD Single : A 61 ASN : amide:sc= -14.6! C(o=-15!,f=-7.4!) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.258) USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= -0.367 (180deg=-1.38!) USER MOD Single : A 71 HIS : no HD1:sc= -8.23! C(o=-8.2!,f=-12!) USER MOD Single : A 72 SER OG : rot -30:sc= -1.99 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00406 USER MOD Single : A 88 ASN : amide:sc= -1.99 K(o=-2,f=-4.4!) USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0931) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -140:sc= -2.54 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0.34 X(o=0.34,f=-0.15) USER MOD Single : A 115 SER OG : rot -57:sc= 0.359 USER MOD Single : A 117 LYS NZ :NH3+ -163:sc= -0.201 (180deg=-0.675) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.672 21.588 7.067 1.00 0.00 N ATOM 2 CA MET A 1 6.351 22.014 5.815 1.00 0.00 C ATOM 3 C MET A 1 7.151 20.869 5.204 1.00 0.00 C ATOM 4 O MET A 1 6.940 20.499 4.049 1.00 0.00 O ATOM 5 CB MET A 1 7.275 23.190 6.140 1.00 0.00 C ATOM 6 CG MET A 1 7.492 24.134 4.969 1.00 0.00 C ATOM 7 SD MET A 1 6.447 25.601 5.056 1.00 0.00 S ATOM 8 CE MET A 1 7.598 26.870 4.532 1.00 0.00 C ATOM 0 H1 MET A 1 5.135 22.387 7.460 1.00 0.00 H new ATOM 0 H2 MET A 1 5.022 20.803 6.860 1.00 0.00 H new ATOM 0 H3 MET A 1 6.383 21.275 7.758 1.00 0.00 H new ATOM 0 HA MET A 1 5.600 22.315 5.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.856 23.751 6.975 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.240 22.803 6.468 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.538 24.439 4.942 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.291 23.604 4.038 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.098 27.838 4.534 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.445 26.898 5.217 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.952 26.647 3.526 1.00 0.00 H new ATOM 18 N ALA A 2 8.070 20.312 5.986 1.00 0.00 N ATOM 19 CA ALA A 2 8.901 19.208 5.522 1.00 0.00 C ATOM 20 C ALA A 2 8.502 17.900 6.196 1.00 0.00 C ATOM 21 O ALA A 2 9.118 17.481 7.176 1.00 0.00 O ATOM 22 CB ALA A 2 10.370 19.511 5.779 1.00 0.00 C ATOM 0 H ALA A 2 8.258 20.607 6.944 1.00 0.00 H new ATOM 0 HA ALA A 2 8.747 19.094 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.980 18.679 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.653 20.419 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.531 19.653 6.848 1.00 0.00 H new ATOM 28 N MET A 3 7.464 17.261 5.667 1.00 0.00 N ATOM 29 CA MET A 3 6.979 16.000 6.219 1.00 0.00 C ATOM 30 C MET A 3 6.024 15.311 5.248 1.00 0.00 C ATOM 31 O MET A 3 4.911 14.935 5.615 1.00 0.00 O ATOM 32 CB MET A 3 6.279 16.244 7.557 1.00 0.00 C ATOM 33 CG MET A 3 5.289 17.398 7.527 1.00 0.00 C ATOM 34 SD MET A 3 5.062 18.160 9.144 1.00 0.00 S ATOM 35 CE MET A 3 3.538 17.383 9.677 1.00 0.00 C ATOM 0 H MET A 3 6.942 17.595 4.857 1.00 0.00 H new ATOM 0 HA MET A 3 7.837 15.347 6.379 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.755 15.335 7.854 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.032 16.442 8.320 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.637 18.151 6.820 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.328 17.037 7.161 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.266 17.754 10.665 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.743 17.618 8.970 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.676 16.303 9.721 1.00 0.00 H new ATOM 45 N ALA A 4 6.468 15.146 4.005 1.00 0.00 N ATOM 46 CA ALA A 4 5.652 14.502 2.982 1.00 0.00 C ATOM 47 C ALA A 4 6.430 14.346 1.678 1.00 0.00 C ATOM 48 O ALA A 4 6.497 15.273 0.871 1.00 0.00 O ATOM 49 CB ALA A 4 4.377 15.296 2.745 1.00 0.00 C ATOM 0 H ALA A 4 7.387 15.449 3.683 1.00 0.00 H new ATOM 0 HA ALA A 4 5.386 13.507 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.778 14.803 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.806 15.352 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.632 16.303 2.414 1.00 0.00 H new ATOM 55 N ARG A 5 7.018 13.169 1.480 1.00 0.00 N ATOM 56 CA ARG A 5 7.793 12.895 0.274 1.00 0.00 C ATOM 57 C ARG A 5 8.078 11.399 0.135 1.00 0.00 C ATOM 58 O ARG A 5 7.451 10.574 0.800 1.00 0.00 O ATOM 59 CB ARG A 5 9.104 13.684 0.302 1.00 0.00 C ATOM 60 CG ARG A 5 9.232 14.692 -0.829 1.00 0.00 C ATOM 61 CD ARG A 5 8.913 16.104 -0.364 1.00 0.00 C ATOM 62 NE ARG A 5 7.865 16.725 -1.173 1.00 0.00 N ATOM 63 CZ ARG A 5 7.194 17.815 -0.808 1.00 0.00 C ATOM 64 NH1 ARG A 5 7.455 18.406 0.351 1.00 0.00 N ATOM 65 NH2 ARG A 5 6.259 18.316 -1.605 1.00 0.00 N ATOM 0 H ARG A 5 6.973 12.391 2.138 1.00 0.00 H new ATOM 0 HA ARG A 5 7.207 13.210 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.183 14.208 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.940 12.986 0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.245 14.661 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.559 14.416 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.598 16.079 0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.816 16.713 -0.411 1.00 0.00 H new ATOM 0 HE ARG A 5 7.635 16.298 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.173 18.025 0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.938 19.241 0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.055 17.866 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.745 19.151 -1.326 1.00 0.00 H new ATOM 79 N SER A 6 9.028 11.056 -0.734 1.00 0.00 N ATOM 80 CA SER A 6 9.398 9.660 -0.962 1.00 0.00 C ATOM 81 C SER A 6 9.697 8.949 0.353 1.00 0.00 C ATOM 82 O SER A 6 9.935 9.594 1.374 1.00 0.00 O ATOM 83 CB SER A 6 10.615 9.578 -1.887 1.00 0.00 C ATOM 84 OG SER A 6 10.853 10.820 -2.527 1.00 0.00 O ATOM 0 H SER A 6 9.556 11.727 -1.292 1.00 0.00 H new ATOM 0 HA SER A 6 8.553 9.162 -1.437 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.494 9.287 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.454 8.804 -2.637 1.00 0.00 H new ATOM 0 HG SER A 6 11.636 10.742 -3.111 1.00 0.00 H new ATOM 90 N ILE A 7 9.679 7.613 0.317 1.00 0.00 N ATOM 91 CA ILE A 7 9.941 6.785 1.502 1.00 0.00 C ATOM 92 C ILE A 7 9.433 7.443 2.777 1.00 0.00 C ATOM 93 O ILE A 7 10.073 7.373 3.826 1.00 0.00 O ATOM 94 CB ILE A 7 11.441 6.463 1.662 1.00 0.00 C ATOM 95 CG1 ILE A 7 12.299 7.725 1.544 1.00 0.00 C ATOM 96 CG2 ILE A 7 11.869 5.431 0.632 1.00 0.00 C ATOM 97 CD1 ILE A 7 12.322 8.566 2.802 1.00 0.00 C ATOM 0 H ILE A 7 9.484 7.076 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 7 9.397 5.854 1.343 1.00 0.00 H new ATOM 0 HB ILE A 7 11.592 6.051 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.320 7.437 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.925 8.332 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.930 5.212 0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.291 4.517 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.693 5.822 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.950 9.443 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.308 8.885 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.724 7.977 3.626 1.00 0.00 H new ATOM 109 N SER A 8 8.289 8.104 2.669 1.00 0.00 N ATOM 110 CA SER A 8 7.707 8.802 3.816 1.00 0.00 C ATOM 111 C SER A 8 6.182 8.816 3.774 1.00 0.00 C ATOM 112 O SER A 8 5.572 8.444 2.777 1.00 0.00 O ATOM 113 CB SER A 8 8.231 10.239 3.878 1.00 0.00 C ATOM 114 OG SER A 8 9.531 10.284 4.440 1.00 0.00 O ATOM 0 H SER A 8 7.746 8.174 1.808 1.00 0.00 H new ATOM 0 HA SER A 8 8.008 8.256 4.710 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.250 10.666 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.553 10.851 4.473 1.00 0.00 H new ATOM 0 HG SER A 8 9.844 11.212 4.467 1.00 0.00 H new ATOM 120 N TYR A 9 5.578 9.273 4.868 1.00 0.00 N ATOM 121 CA TYR A 9 4.119 9.364 4.966 1.00 0.00 C ATOM 122 C TYR A 9 3.638 10.670 4.353 1.00 0.00 C ATOM 123 O TYR A 9 4.396 11.634 4.245 1.00 0.00 O ATOM 124 CB TYR A 9 3.621 9.252 6.418 1.00 0.00 C ATOM 125 CG TYR A 9 4.622 9.696 7.458 1.00 0.00 C ATOM 126 CD1 TYR A 9 5.477 10.751 7.204 1.00 0.00 C ATOM 127 CD2 TYR A 9 4.708 9.058 8.689 1.00 0.00 C ATOM 128 CE1 TYR A 9 6.399 11.164 8.143 1.00 0.00 C ATOM 129 CE2 TYR A 9 5.626 9.464 9.636 1.00 0.00 C ATOM 130 CZ TYR A 9 6.471 10.518 9.358 1.00 0.00 C ATOM 131 OH TYR A 9 7.389 10.927 10.299 1.00 0.00 O ATOM 0 H TYR A 9 6.075 9.587 5.702 1.00 0.00 H new ATOM 0 HA TYR A 9 3.704 8.520 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.715 9.849 6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.346 8.216 6.616 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.423 11.261 6.254 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.047 8.232 8.908 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.061 11.989 7.927 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.682 8.959 10.589 1.00 0.00 H new ATOM 0 HH TYR A 9 7.308 10.368 11.100 1.00 0.00 H new ATOM 141 N ILE A 10 2.389 10.677 3.900 1.00 0.00 N ATOM 142 CA ILE A 10 1.831 11.848 3.236 1.00 0.00 C ATOM 143 C ILE A 10 0.494 12.284 3.860 1.00 0.00 C ATOM 144 O ILE A 10 -0.166 11.499 4.541 1.00 0.00 O ATOM 145 CB ILE A 10 1.682 11.558 1.718 1.00 0.00 C ATOM 146 CG1 ILE A 10 0.265 11.091 1.364 1.00 0.00 C ATOM 147 CG2 ILE A 10 2.700 10.515 1.273 1.00 0.00 C ATOM 148 CD1 ILE A 10 -0.117 9.780 2.017 1.00 0.00 C ATOM 0 H ILE A 10 1.747 9.889 3.980 1.00 0.00 H new ATOM 0 HA ILE A 10 2.518 12.683 3.374 1.00 0.00 H new ATOM 0 HB ILE A 10 1.868 12.492 1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.448 11.859 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.185 10.986 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.582 10.323 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.707 10.884 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.540 9.590 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.131 9.509 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.574 9.000 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.069 9.886 3.101 1.00 0.00 H new ATOM 160 N THR A 11 0.114 13.551 3.641 1.00 0.00 N ATOM 161 CA THR A 11 -1.128 14.101 4.197 1.00 0.00 C ATOM 162 C THR A 11 -2.298 14.009 3.213 1.00 0.00 C ATOM 163 O THR A 11 -2.115 13.683 2.044 1.00 0.00 O ATOM 164 CB THR A 11 -0.917 15.560 4.615 1.00 0.00 C ATOM 165 OG1 THR A 11 0.464 15.864 4.694 1.00 0.00 O ATOM 166 CG2 THR A 11 -1.537 15.896 5.953 1.00 0.00 C ATOM 0 H THR A 11 0.651 14.214 3.082 1.00 0.00 H new ATOM 0 HA THR A 11 -1.384 13.499 5.069 1.00 0.00 H new ATOM 0 HB THR A 11 -1.410 16.154 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.578 16.800 4.961 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.350 16.944 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.612 15.720 5.911 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.096 15.267 6.726 1.00 0.00 H new ATOM 174 N SER A 12 -3.502 14.308 3.703 1.00 0.00 N ATOM 175 CA SER A 12 -4.706 14.270 2.872 1.00 0.00 C ATOM 176 C SER A 12 -4.595 15.257 1.709 1.00 0.00 C ATOM 177 O SER A 12 -4.715 14.874 0.548 1.00 0.00 O ATOM 178 CB SER A 12 -5.943 14.590 3.713 1.00 0.00 C ATOM 179 OG SER A 12 -7.118 14.073 3.111 1.00 0.00 O ATOM 0 H SER A 12 -3.669 14.579 4.672 1.00 0.00 H new ATOM 0 HA SER A 12 -4.805 13.264 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.827 14.168 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.036 15.669 3.832 1.00 0.00 H new ATOM 0 HG SER A 12 -7.894 14.290 3.669 1.00 0.00 H new ATOM 185 N THR A 13 -4.345 16.523 2.032 1.00 0.00 N ATOM 186 CA THR A 13 -4.193 17.564 1.015 1.00 0.00 C ATOM 187 C THR A 13 -3.026 17.234 0.118 1.00 0.00 C ATOM 188 O THR A 13 -3.059 17.503 -1.082 1.00 0.00 O ATOM 189 CB THR A 13 -4.004 18.940 1.643 1.00 0.00 C ATOM 190 OG1 THR A 13 -2.968 18.916 2.608 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.252 19.470 2.318 1.00 0.00 C ATOM 0 H THR A 13 -4.243 16.855 2.991 1.00 0.00 H new ATOM 0 HA THR A 13 -5.108 17.596 0.424 1.00 0.00 H new ATOM 0 HB THR A 13 -3.753 19.601 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.863 19.809 2.997 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.046 20.452 2.743 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.055 19.552 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.554 18.787 3.112 1.00 0.00 H new ATOM 199 N GLN A 14 -1.999 16.626 0.696 1.00 0.00 N ATOM 200 CA GLN A 14 -0.833 16.237 -0.073 1.00 0.00 C ATOM 201 C GLN A 14 -1.279 15.341 -1.231 1.00 0.00 C ATOM 202 O GLN A 14 -0.543 15.140 -2.197 1.00 0.00 O ATOM 203 CB GLN A 14 0.167 15.509 0.837 1.00 0.00 C ATOM 204 CG GLN A 14 0.244 14.013 0.603 1.00 0.00 C ATOM 205 CD GLN A 14 1.024 13.648 -0.643 1.00 0.00 C ATOM 206 OE1 GLN A 14 2.127 14.145 -0.870 1.00 0.00 O ATOM 207 NE2 GLN A 14 0.452 12.771 -1.460 1.00 0.00 N ATOM 0 H GLN A 14 -1.953 16.394 1.688 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.338 17.118 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.157 15.940 0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.107 15.689 1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.709 13.539 1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.766 13.611 0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.464 12.384 -1.232 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.929 12.484 -2.315 1.00 0.00 H new ATOM 216 N LEU A 15 -2.516 14.848 -1.144 1.00 0.00 N ATOM 217 CA LEU A 15 -3.082 14.033 -2.194 1.00 0.00 C ATOM 218 C LEU A 15 -3.344 14.898 -3.423 1.00 0.00 C ATOM 219 O LEU A 15 -3.216 14.426 -4.553 1.00 0.00 O ATOM 220 CB LEU A 15 -4.384 13.379 -1.727 1.00 0.00 C ATOM 221 CG LEU A 15 -5.092 12.521 -2.776 1.00 0.00 C ATOM 222 CD1 LEU A 15 -5.878 11.404 -2.108 1.00 0.00 C ATOM 223 CD2 LEU A 15 -6.007 13.381 -3.636 1.00 0.00 C ATOM 0 H LEU A 15 -3.138 15.006 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.374 13.244 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.169 12.758 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.068 14.162 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.338 12.070 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.375 10.803 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.198 10.773 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.624 11.834 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.503 12.755 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.756 13.859 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.418 14.146 -4.142 1.00 0.00 H new ATOM 235 N LEU A 16 -3.709 16.175 -3.212 1.00 0.00 N ATOM 236 CA LEU A 16 -3.970 17.055 -4.353 1.00 0.00 C ATOM 237 C LEU A 16 -2.710 17.187 -5.219 1.00 0.00 C ATOM 238 O LEU A 16 -2.748 16.918 -6.420 1.00 0.00 O ATOM 239 CB LEU A 16 -4.462 18.431 -3.872 1.00 0.00 C ATOM 240 CG LEU A 16 -4.175 19.609 -4.813 1.00 0.00 C ATOM 241 CD1 LEU A 16 -5.366 20.552 -4.870 1.00 0.00 C ATOM 242 CD2 LEU A 16 -2.926 20.355 -4.369 1.00 0.00 C ATOM 0 H LEU A 16 -3.826 16.605 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.758 16.615 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.538 18.374 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.004 18.642 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.003 19.213 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.142 21.380 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.240 20.013 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.571 20.940 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.738 21.187 -5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.070 20.737 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.073 19.676 -4.382 1.00 0.00 H new ATOM 254 N PRO A 17 -1.568 17.581 -4.622 1.00 0.00 N ATOM 255 CA PRO A 17 -0.304 17.723 -5.329 1.00 0.00 C ATOM 256 C PRO A 17 0.581 16.486 -5.164 1.00 0.00 C ATOM 257 O PRO A 17 1.805 16.590 -5.099 1.00 0.00 O ATOM 258 CB PRO A 17 0.314 18.911 -4.605 1.00 0.00 C ATOM 259 CG PRO A 17 -0.119 18.740 -3.182 1.00 0.00 C ATOM 260 CD PRO A 17 -1.404 17.934 -3.204 1.00 0.00 C ATOM 0 HA PRO A 17 -0.421 17.850 -6.405 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.400 18.910 -4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.039 19.856 -5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.649 18.226 -2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.279 19.709 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.331 17.046 -2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.249 18.516 -2.836 1.00 0.00 H new ATOM 268 N LEU A 18 -0.052 15.317 -5.080 1.00 0.00 N ATOM 269 CA LEU A 18 0.668 14.061 -4.902 1.00 0.00 C ATOM 270 C LEU A 18 1.679 13.836 -6.016 1.00 0.00 C ATOM 271 O LEU A 18 2.887 13.815 -5.779 1.00 0.00 O ATOM 272 CB LEU A 18 -0.316 12.890 -4.851 1.00 0.00 C ATOM 273 CG LEU A 18 0.308 11.527 -4.536 1.00 0.00 C ATOM 274 CD1 LEU A 18 -0.660 10.669 -3.734 1.00 0.00 C ATOM 275 CD2 LEU A 18 0.715 10.816 -5.819 1.00 0.00 C ATOM 0 H LEU A 18 -1.066 15.215 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 18 1.210 14.121 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.075 13.107 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.828 12.824 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 18 1.203 11.690 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.200 9.705 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.902 11.172 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.573 10.515 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.156 9.850 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.164 10.666 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.444 11.423 -6.356 1.00 0.00 H new ATOM 287 N HIS A 19 1.175 13.659 -7.230 1.00 0.00 N ATOM 288 CA HIS A 19 2.031 13.423 -8.393 1.00 0.00 C ATOM 289 C HIS A 19 1.200 12.980 -9.593 1.00 0.00 C ATOM 290 O HIS A 19 1.528 13.294 -10.738 1.00 0.00 O ATOM 291 CB HIS A 19 3.085 12.353 -8.076 1.00 0.00 C ATOM 292 CG HIS A 19 4.465 12.902 -7.877 1.00 0.00 C ATOM 293 ND1 HIS A 19 5.184 13.518 -8.880 1.00 0.00 N ATOM 294 CD2 HIS A 19 5.262 12.918 -6.782 1.00 0.00 C ATOM 295 CE1 HIS A 19 6.363 13.886 -8.412 1.00 0.00 C ATOM 296 NE2 HIS A 19 6.436 13.535 -7.141 1.00 0.00 N ATOM 0 H HIS A 19 0.177 13.674 -7.439 1.00 0.00 H new ATOM 0 HA HIS A 19 2.533 14.359 -8.636 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.785 11.816 -7.176 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.107 11.626 -8.888 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.020 12.520 -5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.136 14.389 -8.974 1.00 0.00 H new ATOM 0 HE2 HIS A 19 7.234 13.696 -6.526 1.00 0.00 H new ATOM 305 N ARG A 20 0.128 12.241 -9.322 1.00 0.00 N ATOM 306 CA ARG A 20 -0.750 11.745 -10.377 1.00 0.00 C ATOM 307 C ARG A 20 -0.012 10.750 -11.268 1.00 0.00 C ATOM 308 O ARG A 20 0.248 11.023 -12.441 1.00 0.00 O ATOM 309 CB ARG A 20 -1.291 12.906 -11.216 1.00 0.00 C ATOM 310 CG ARG A 20 -2.225 12.468 -12.334 1.00 0.00 C ATOM 311 CD ARG A 20 -2.179 13.434 -13.508 1.00 0.00 C ATOM 312 NE ARG A 20 -2.283 12.742 -14.791 1.00 0.00 N ATOM 313 CZ ARG A 20 -1.270 12.103 -15.373 1.00 0.00 C ATOM 314 NH1 ARG A 20 -0.078 12.065 -14.792 1.00 0.00 N ATOM 315 NH2 ARG A 20 -1.452 11.501 -16.540 1.00 0.00 N ATOM 0 H ARG A 20 -0.154 11.972 -8.379 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.590 11.233 -9.908 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.821 13.599 -10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.453 13.452 -11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.947 11.470 -12.672 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.245 12.404 -11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.993 14.154 -13.417 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.248 14.000 -13.476 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.184 12.749 -15.269 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.067 12.527 -13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.694 11.574 -15.243 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.367 11.528 -16.991 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.677 11.011 -16.987 1.00 0.00 H new ATOM 329 N ARG A 21 0.328 9.596 -10.702 1.00 0.00 N ATOM 330 CA ARG A 21 1.041 8.559 -11.440 1.00 0.00 C ATOM 331 C ARG A 21 0.201 7.285 -11.554 1.00 0.00 C ATOM 332 O ARG A 21 -0.467 6.887 -10.600 1.00 0.00 O ATOM 333 CB ARG A 21 2.374 8.246 -10.754 1.00 0.00 C ATOM 334 CG ARG A 21 3.590 8.665 -11.566 1.00 0.00 C ATOM 335 CD ARG A 21 4.474 9.631 -10.792 1.00 0.00 C ATOM 336 NE ARG A 21 5.411 10.334 -11.665 1.00 0.00 N ATOM 337 CZ ARG A 21 5.052 11.274 -12.534 1.00 0.00 C ATOM 338 NH1 ARG A 21 3.778 11.629 -12.650 1.00 0.00 N ATOM 339 NH2 ARG A 21 5.968 11.864 -13.290 1.00 0.00 N ATOM 0 H ARG A 21 0.121 9.355 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 21 1.232 8.932 -12.446 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.402 8.749 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.430 7.175 -10.558 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.167 7.782 -11.840 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.264 9.133 -12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.849 10.357 -10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.029 9.084 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 21 6.399 10.089 -11.604 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.069 11.180 -12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.509 12.351 -13.318 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.949 11.597 -13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.692 12.585 -13.956 1.00 0.00 H new ATOM 353 N PRO A 22 0.223 6.626 -12.729 1.00 0.00 N ATOM 354 CA PRO A 22 -0.538 5.396 -12.959 1.00 0.00 C ATOM 355 C PRO A 22 0.129 4.164 -12.344 1.00 0.00 C ATOM 356 O PRO A 22 -0.458 3.083 -12.310 1.00 0.00 O ATOM 357 CB PRO A 22 -0.567 5.289 -14.482 1.00 0.00 C ATOM 358 CG PRO A 22 0.691 5.950 -14.932 1.00 0.00 C ATOM 359 CD PRO A 22 0.991 7.031 -13.924 1.00 0.00 C ATOM 0 HA PRO A 22 -1.525 5.433 -12.497 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.605 4.249 -14.805 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.445 5.784 -14.897 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.509 5.232 -14.985 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.572 6.372 -15.930 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.058 7.093 -13.711 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.680 8.011 -14.285 1.00 0.00 H new ATOM 367 N ASN A 23 1.353 4.337 -11.850 1.00 0.00 N ATOM 368 CA ASN A 23 2.095 3.242 -11.226 1.00 0.00 C ATOM 369 C ASN A 23 1.862 3.217 -9.717 1.00 0.00 C ATOM 370 O ASN A 23 2.690 2.706 -8.976 1.00 0.00 O ATOM 371 CB ASN A 23 3.599 3.380 -11.481 1.00 0.00 C ATOM 372 CG ASN A 23 4.068 4.822 -11.515 1.00 0.00 C ATOM 373 OD1 ASN A 23 4.468 5.334 -12.561 1.00 0.00 O ATOM 374 ND2 ASN A 23 4.021 5.484 -10.365 1.00 0.00 N ATOM 0 H ASN A 23 1.853 5.226 -11.869 1.00 0.00 H new ATOM 0 HA ASN A 23 1.732 2.315 -11.671 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.144 2.846 -10.703 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.846 2.902 -12.429 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.324 6.457 -10.324 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.682 5.019 -9.523 1.00 0.00 H new ATOM 381 N ILE A 24 0.758 3.802 -9.255 1.00 0.00 N ATOM 382 CA ILE A 24 0.485 3.872 -7.818 1.00 0.00 C ATOM 383 C ILE A 24 -0.513 2.826 -7.327 1.00 0.00 C ATOM 384 O ILE A 24 -1.545 2.579 -7.952 1.00 0.00 O ATOM 385 CB ILE A 24 -0.030 5.272 -7.424 1.00 0.00 C ATOM 386 CG1 ILE A 24 -0.157 5.387 -5.904 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.365 5.559 -8.095 1.00 0.00 C ATOM 388 CD1 ILE A 24 -0.528 6.776 -5.432 1.00 0.00 C ATOM 0 H ILE A 24 0.045 4.230 -9.846 1.00 0.00 H new ATOM 0 HA ILE A 24 1.440 3.664 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 24 0.692 6.013 -7.766 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.910 4.680 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.788 5.097 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.712 6.551 -7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.244 5.519 -9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.096 4.813 -7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.601 6.783 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.237 7.485 -5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.488 7.062 -5.862 1.00 0.00 H new ATOM 400 N ALA A 25 -0.190 2.245 -6.170 1.00 0.00 N ATOM 401 CA ALA A 25 -1.037 1.250 -5.525 1.00 0.00 C ATOM 402 C ALA A 25 -0.724 1.196 -4.033 1.00 0.00 C ATOM 403 O ALA A 25 0.425 1.352 -3.626 1.00 0.00 O ATOM 404 CB ALA A 25 -0.862 -0.118 -6.162 1.00 0.00 C ATOM 0 H ALA A 25 0.667 2.454 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.078 1.542 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.507 -0.839 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.131 -0.065 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.177 -0.433 -6.067 1.00 0.00 H new ATOM 410 N ILE A 26 -1.751 0.995 -3.221 1.00 0.00 N ATOM 411 CA ILE A 26 -1.584 0.944 -1.773 1.00 0.00 C ATOM 412 C ILE A 26 -1.563 -0.500 -1.269 1.00 0.00 C ATOM 413 O ILE A 26 -2.403 -1.301 -1.652 1.00 0.00 O ATOM 414 CB ILE A 26 -2.724 1.729 -1.089 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.428 3.228 -1.119 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.956 1.254 0.338 1.00 0.00 C ATOM 417 CD1 ILE A 26 -3.668 4.088 -1.015 1.00 0.00 C ATOM 0 H ILE A 26 -2.711 0.864 -3.539 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.627 1.401 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.641 1.541 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.754 3.474 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.904 3.469 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.766 1.830 0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.223 0.197 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.045 1.394 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.384 5.140 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.333 3.870 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.181 3.875 -0.077 1.00 0.00 H new ATOM 429 N ILE A 27 -0.596 -0.828 -0.412 1.00 0.00 N ATOM 430 CA ILE A 27 -0.482 -2.175 0.129 1.00 0.00 C ATOM 431 C ILE A 27 -1.175 -2.303 1.490 1.00 0.00 C ATOM 432 O ILE A 27 -1.108 -1.410 2.335 1.00 0.00 O ATOM 433 CB ILE A 27 1.002 -2.609 0.231 1.00 0.00 C ATOM 434 CG1 ILE A 27 1.396 -3.433 -0.999 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.271 -3.401 1.508 1.00 0.00 C ATOM 436 CD1 ILE A 27 0.829 -4.838 -0.999 1.00 0.00 C ATOM 0 H ILE A 27 0.117 -0.178 -0.080 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.991 -2.844 -0.565 1.00 0.00 H new ATOM 0 HB ILE A 27 1.612 -1.706 0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.058 -2.914 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.483 -3.490 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.322 -3.688 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.033 -2.785 2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.650 -4.297 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.151 -5.360 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.188 -5.375 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.260 -4.791 -0.976 1.00 0.00 H new ATOM 448 N ASP A 28 -1.834 -3.450 1.675 1.00 0.00 N ATOM 449 CA ASP A 28 -2.543 -3.749 2.912 1.00 0.00 C ATOM 450 C ASP A 28 -2.223 -5.165 3.392 1.00 0.00 C ATOM 451 O ASP A 28 -2.419 -6.139 2.664 1.00 0.00 O ATOM 452 CB ASP A 28 -4.051 -3.597 2.713 1.00 0.00 C ATOM 453 CG ASP A 28 -4.417 -2.299 2.023 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.901 -2.051 0.913 1.00 0.00 O ATOM 455 OD2 ASP A 28 -5.218 -1.529 2.593 1.00 0.00 O ATOM 0 H ASP A 28 -1.888 -4.189 0.974 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.212 -3.040 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.423 -4.435 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.549 -3.643 3.682 1.00 0.00 H new ATOM 460 N VAL A 29 -1.734 -5.265 4.625 1.00 0.00 N ATOM 461 CA VAL A 29 -1.388 -6.556 5.218 1.00 0.00 C ATOM 462 C VAL A 29 -2.489 -7.025 6.161 1.00 0.00 C ATOM 463 O VAL A 29 -2.928 -6.266 7.025 1.00 0.00 O ATOM 464 CB VAL A 29 -0.059 -6.509 6.018 1.00 0.00 C ATOM 465 CG1 VAL A 29 0.905 -7.570 5.512 1.00 0.00 C ATOM 466 CG2 VAL A 29 0.587 -5.127 5.975 1.00 0.00 C ATOM 0 H VAL A 29 -1.568 -4.465 5.236 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.270 -7.248 4.384 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.298 -6.720 7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.831 -7.522 6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.456 -8.556 5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.120 -7.393 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.514 -5.141 6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.803 -4.859 4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.095 -4.393 6.405 1.00 0.00 H new ATOM 476 N ARG A 30 -2.930 -8.273 6.012 1.00 0.00 N ATOM 477 CA ARG A 30 -3.976 -8.793 6.895 1.00 0.00 C ATOM 478 C ARG A 30 -4.317 -10.253 6.606 1.00 0.00 C ATOM 479 O ARG A 30 -5.470 -10.664 6.737 1.00 0.00 O ATOM 480 CB ARG A 30 -5.238 -7.930 6.790 1.00 0.00 C ATOM 481 CG ARG A 30 -5.644 -7.287 8.108 1.00 0.00 C ATOM 482 CD ARG A 30 -6.094 -8.326 9.123 1.00 0.00 C ATOM 483 NE ARG A 30 -4.961 -8.960 9.795 1.00 0.00 N ATOM 484 CZ ARG A 30 -4.197 -8.348 10.698 1.00 0.00 C ATOM 485 NH1 ARG A 30 -4.463 -7.101 11.067 1.00 0.00 N ATOM 486 NH2 ARG A 30 -3.171 -8.989 11.240 1.00 0.00 N ATOM 0 H ARG A 30 -2.591 -8.929 5.308 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.584 -8.748 7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.073 -7.148 6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.061 -8.546 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.804 -6.723 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.451 -6.575 7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.738 -7.853 9.865 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.691 -9.088 8.622 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.743 -9.928 9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.256 -6.606 10.659 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.874 -6.637 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.967 -9.950 10.965 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.585 -8.521 11.932 1.00 0.00 H new ATOM 500 N ASP A 31 -3.316 -11.042 6.229 1.00 0.00 N ATOM 501 CA ASP A 31 -3.529 -12.459 5.943 1.00 0.00 C ATOM 502 C ASP A 31 -4.725 -12.658 5.012 1.00 0.00 C ATOM 503 O ASP A 31 -5.182 -11.714 4.378 1.00 0.00 O ATOM 504 CB ASP A 31 -3.745 -13.233 7.247 1.00 0.00 C ATOM 505 CG ASP A 31 -3.056 -14.583 7.239 1.00 0.00 C ATOM 506 OD1 ASP A 31 -3.605 -15.527 6.631 1.00 0.00 O ATOM 507 OD2 ASP A 31 -1.968 -14.698 7.840 1.00 0.00 O ATOM 0 H ASP A 31 -2.353 -10.727 6.114 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.640 -12.841 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.371 -12.642 8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.813 -13.374 7.410 1.00 0.00 H new ATOM 512 N GLU A 32 -5.218 -13.893 4.936 1.00 0.00 N ATOM 513 CA GLU A 32 -6.357 -14.241 4.079 1.00 0.00 C ATOM 514 C GLU A 32 -7.395 -13.115 3.984 1.00 0.00 C ATOM 515 O GLU A 32 -8.023 -12.935 2.944 1.00 0.00 O ATOM 516 CB GLU A 32 -7.026 -15.518 4.594 1.00 0.00 C ATOM 517 CG GLU A 32 -6.886 -16.700 3.649 1.00 0.00 C ATOM 518 CD GLU A 32 -7.364 -16.384 2.245 1.00 0.00 C ATOM 519 OE1 GLU A 32 -8.412 -15.718 2.111 1.00 0.00 O ATOM 520 OE2 GLU A 32 -6.690 -16.803 1.280 1.00 0.00 O ATOM 0 H GLU A 32 -4.842 -14.681 5.464 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.963 -14.401 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.593 -15.781 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.085 -15.321 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.841 -17.009 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.454 -17.543 4.041 1.00 0.00 H new ATOM 527 N GLU A 33 -7.575 -12.371 5.071 1.00 0.00 N ATOM 528 CA GLU A 33 -8.546 -11.272 5.105 1.00 0.00 C ATOM 529 C GLU A 33 -8.222 -10.178 4.085 1.00 0.00 C ATOM 530 O GLU A 33 -9.046 -9.302 3.828 1.00 0.00 O ATOM 531 CB GLU A 33 -8.604 -10.666 6.508 1.00 0.00 C ATOM 532 CG GLU A 33 -8.868 -11.687 7.602 1.00 0.00 C ATOM 533 CD GLU A 33 -10.237 -12.328 7.482 1.00 0.00 C ATOM 534 OE1 GLU A 33 -10.493 -12.991 6.456 1.00 0.00 O ATOM 535 OE2 GLU A 33 -11.052 -12.166 8.415 1.00 0.00 O ATOM 0 H GLU A 33 -7.063 -12.506 5.943 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.516 -11.692 4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.661 -10.160 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.386 -9.907 6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.103 -12.462 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.781 -11.203 8.575 1.00 0.00 H new ATOM 542 N ARG A 34 -7.023 -10.222 3.517 1.00 0.00 N ATOM 543 CA ARG A 34 -6.604 -9.226 2.543 1.00 0.00 C ATOM 544 C ARG A 34 -7.418 -9.329 1.256 1.00 0.00 C ATOM 545 O ARG A 34 -7.468 -8.384 0.471 1.00 0.00 O ATOM 546 CB ARG A 34 -5.111 -9.385 2.234 1.00 0.00 C ATOM 547 CG ARG A 34 -4.692 -10.825 1.964 1.00 0.00 C ATOM 548 CD ARG A 34 -4.053 -10.988 0.596 1.00 0.00 C ATOM 549 NE ARG A 34 -4.220 -12.341 0.073 1.00 0.00 N ATOM 550 CZ ARG A 34 -3.573 -13.404 0.549 1.00 0.00 C ATOM 551 NH1 ARG A 34 -2.702 -13.271 1.542 1.00 0.00 N ATOM 552 NH2 ARG A 34 -3.796 -14.603 0.028 1.00 0.00 N ATOM 0 H ARG A 34 -6.324 -10.938 3.715 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.780 -8.241 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.861 -8.774 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.532 -8.999 3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.989 -11.148 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.564 -11.475 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.495 -10.274 -0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.991 -10.753 0.662 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.869 -12.480 -0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.525 -12.351 1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.210 -14.089 1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.462 -14.711 -0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.301 -15.417 0.392 1.00 0.00 H new ATOM 566 N ASN A 35 -8.051 -10.478 1.036 1.00 0.00 N ATOM 567 CA ASN A 35 -8.841 -10.678 -0.171 1.00 0.00 C ATOM 568 C ASN A 35 -9.999 -9.692 -0.251 1.00 0.00 C ATOM 569 O ASN A 35 -10.141 -8.967 -1.236 1.00 0.00 O ATOM 570 CB ASN A 35 -9.366 -12.114 -0.249 1.00 0.00 C ATOM 571 CG ASN A 35 -9.941 -12.595 1.067 1.00 0.00 C ATOM 572 OD1 ASN A 35 -9.989 -11.849 2.044 1.00 0.00 O ATOM 573 ND2 ASN A 35 -10.377 -13.848 1.099 1.00 0.00 N ATOM 0 H ASN A 35 -8.032 -11.276 1.671 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.183 -10.498 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.133 -12.175 -1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.556 -12.777 -0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.772 -14.229 1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.317 -14.430 0.264 1.00 0.00 H new ATOM 580 N TYR A 36 -10.824 -9.664 0.787 1.00 0.00 N ATOM 581 CA TYR A 36 -11.965 -8.760 0.824 1.00 0.00 C ATOM 582 C TYR A 36 -11.510 -7.341 1.134 1.00 0.00 C ATOM 583 O TYR A 36 -11.837 -6.401 0.409 1.00 0.00 O ATOM 584 CB TYR A 36 -12.979 -9.225 1.867 1.00 0.00 C ATOM 585 CG TYR A 36 -13.269 -10.706 1.804 1.00 0.00 C ATOM 586 CD1 TYR A 36 -14.244 -11.211 0.952 1.00 0.00 C ATOM 587 CD2 TYR A 36 -12.561 -11.601 2.592 1.00 0.00 C ATOM 588 CE1 TYR A 36 -14.503 -12.568 0.889 1.00 0.00 C ATOM 589 CE2 TYR A 36 -12.813 -12.957 2.536 1.00 0.00 C ATOM 590 CZ TYR A 36 -13.785 -13.437 1.682 1.00 0.00 C ATOM 591 OH TYR A 36 -14.038 -14.787 1.623 1.00 0.00 O ATOM 0 H TYR A 36 -10.725 -10.255 1.612 1.00 0.00 H new ATOM 0 HA TYR A 36 -12.441 -8.768 -0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -12.606 -8.977 2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -13.909 -8.674 1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -14.808 -10.533 0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.799 -11.230 3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -15.264 -12.945 0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.252 -13.639 3.158 1.00 0.00 H new ATOM 0 HH TYR A 36 -13.444 -15.259 2.244 1.00 0.00 H new ATOM 601 N ASP A 37 -10.747 -7.198 2.218 1.00 0.00 N ATOM 602 CA ASP A 37 -10.231 -5.895 2.640 1.00 0.00 C ATOM 603 C ASP A 37 -11.271 -4.792 2.442 1.00 0.00 C ATOM 604 O ASP A 37 -10.930 -3.650 2.132 1.00 0.00 O ATOM 605 CB ASP A 37 -8.958 -5.555 1.859 1.00 0.00 C ATOM 606 CG ASP A 37 -7.865 -4.998 2.750 1.00 0.00 C ATOM 607 OD1 ASP A 37 -8.033 -3.871 3.262 1.00 0.00 O ATOM 608 OD2 ASP A 37 -6.839 -5.687 2.933 1.00 0.00 O ATOM 0 H ASP A 37 -10.472 -7.972 2.822 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.000 -5.956 3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.593 -6.451 1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.195 -4.828 1.082 1.00 0.00 H new ATOM 613 N GLY A 38 -12.541 -5.147 2.613 1.00 0.00 N ATOM 614 CA GLY A 38 -13.612 -4.180 2.439 1.00 0.00 C ATOM 615 C GLY A 38 -13.839 -3.839 0.979 1.00 0.00 C ATOM 616 O GLY A 38 -12.931 -3.978 0.159 1.00 0.00 O ATOM 0 H GLY A 38 -12.848 -6.085 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.533 -4.578 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.372 -3.271 2.990 1.00 0.00 H new ATOM 620 N HIS A 39 -15.049 -3.399 0.646 1.00 0.00 N ATOM 621 CA HIS A 39 -15.373 -3.050 -0.728 1.00 0.00 C ATOM 622 C HIS A 39 -15.085 -1.572 -0.997 1.00 0.00 C ATOM 623 O HIS A 39 -14.240 -0.990 -0.322 1.00 0.00 O ATOM 624 CB HIS A 39 -16.822 -3.398 -1.020 1.00 0.00 C ATOM 625 CG HIS A 39 -17.169 -4.818 -0.693 1.00 0.00 C ATOM 626 ND1 HIS A 39 -17.849 -5.610 -1.585 1.00 0.00 N ATOM 627 CD2 HIS A 39 -16.902 -5.538 0.425 1.00 0.00 C ATOM 628 CE1 HIS A 39 -17.978 -6.787 -0.998 1.00 0.00 C ATOM 629 NE2 HIS A 39 -17.421 -6.791 0.222 1.00 0.00 N ATOM 0 H HIS A 39 -15.816 -3.277 1.307 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.740 -3.629 -1.400 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -17.470 -2.733 -0.450 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -17.027 -3.215 -2.075 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -18.185 -5.344 -2.511 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -16.381 -5.191 1.305 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -18.470 -7.638 -1.445 1.00 0.00 H new ATOM 637 N ILE A 40 -15.757 -0.968 -1.999 1.00 0.00 N ATOM 638 CA ILE A 40 -15.514 0.446 -2.358 1.00 0.00 C ATOM 639 C ILE A 40 -14.028 0.776 -2.198 1.00 0.00 C ATOM 640 O ILE A 40 -13.651 1.893 -1.842 1.00 0.00 O ATOM 641 CB ILE A 40 -16.356 1.408 -1.491 1.00 0.00 C ATOM 642 CG1 ILE A 40 -16.305 2.822 -2.072 1.00 0.00 C ATOM 643 CG2 ILE A 40 -15.870 1.401 -0.049 1.00 0.00 C ATOM 644 CD1 ILE A 40 -17.521 3.659 -1.736 1.00 0.00 C ATOM 0 H ILE A 40 -16.465 -1.431 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 40 -15.813 0.581 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 40 -17.391 1.066 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.413 3.327 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -16.207 2.757 -3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -16.477 2.086 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -15.956 0.394 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -14.828 1.718 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.416 4.649 -2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -18.415 3.177 -2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -17.609 3.755 -0.654 1.00 0.00 H new ATOM 656 N ALA A 41 -13.210 -0.249 -2.413 1.00 0.00 N ATOM 657 CA ALA A 41 -11.763 -0.163 -2.248 1.00 0.00 C ATOM 658 C ALA A 41 -10.982 -0.983 -3.278 1.00 0.00 C ATOM 659 O ALA A 41 -11.396 -2.072 -3.677 1.00 0.00 O ATOM 660 CB ALA A 41 -11.381 -0.600 -0.843 1.00 0.00 C ATOM 0 H ALA A 41 -13.535 -1.170 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.491 0.880 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.300 -0.535 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.867 0.050 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.702 -1.629 -0.682 1.00 0.00 H new ATOM 666 N GLY A 42 -9.834 -0.454 -3.683 1.00 0.00 N ATOM 667 CA GLY A 42 -8.965 -1.142 -4.614 1.00 0.00 C ATOM 668 C GLY A 42 -7.679 -1.589 -3.934 1.00 0.00 C ATOM 669 O GLY A 42 -7.586 -2.723 -3.466 1.00 0.00 O ATOM 0 H GLY A 42 -9.487 0.455 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.482 -2.008 -5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.728 -0.484 -5.450 1.00 0.00 H new ATOM 673 N SER A 43 -6.695 -0.689 -3.855 1.00 0.00 N ATOM 674 CA SER A 43 -5.424 -0.987 -3.202 1.00 0.00 C ATOM 675 C SER A 43 -4.901 -2.380 -3.565 1.00 0.00 C ATOM 676 O SER A 43 -5.249 -2.936 -4.607 1.00 0.00 O ATOM 677 CB SER A 43 -5.587 -0.864 -1.684 1.00 0.00 C ATOM 678 OG SER A 43 -6.180 -2.028 -1.139 1.00 0.00 O ATOM 0 H SER A 43 -6.758 0.254 -4.238 1.00 0.00 H new ATOM 0 HA SER A 43 -4.689 -0.264 -3.557 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.613 -0.698 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.202 0.005 -1.450 1.00 0.00 H new ATOM 0 HG SER A 43 -6.808 -2.410 -1.788 1.00 0.00 H new ATOM 684 N LEU A 44 -4.064 -2.934 -2.690 1.00 0.00 N ATOM 685 CA LEU A 44 -3.485 -4.251 -2.893 1.00 0.00 C ATOM 686 C LEU A 44 -3.721 -5.130 -1.669 1.00 0.00 C ATOM 687 O LEU A 44 -3.788 -4.639 -0.541 1.00 0.00 O ATOM 688 CB LEU A 44 -1.985 -4.139 -3.180 1.00 0.00 C ATOM 689 CG LEU A 44 -1.386 -5.297 -3.984 1.00 0.00 C ATOM 690 CD1 LEU A 44 -2.207 -5.563 -5.237 1.00 0.00 C ATOM 691 CD2 LEU A 44 0.061 -4.998 -4.349 1.00 0.00 C ATOM 0 H LEU A 44 -3.772 -2.480 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.971 -4.711 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.803 -3.210 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.454 -4.064 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.409 -6.193 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.764 -6.389 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.228 -5.821 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.218 -4.670 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.472 -5.831 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.104 -4.090 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.645 -4.859 -3.439 1.00 0.00 H new ATOM 703 N HIS A 45 -3.855 -6.427 -1.905 1.00 0.00 N ATOM 704 CA HIS A 45 -4.098 -7.381 -0.832 1.00 0.00 C ATOM 705 C HIS A 45 -2.900 -8.301 -0.635 1.00 0.00 C ATOM 706 O HIS A 45 -2.535 -9.056 -1.535 1.00 0.00 O ATOM 707 CB HIS A 45 -5.343 -8.206 -1.155 1.00 0.00 C ATOM 708 CG HIS A 45 -5.230 -8.998 -2.422 1.00 0.00 C ATOM 709 ND1 HIS A 45 -5.622 -8.510 -3.652 1.00 0.00 N ATOM 710 CD2 HIS A 45 -4.766 -10.250 -2.648 1.00 0.00 C ATOM 711 CE1 HIS A 45 -5.404 -9.429 -4.577 1.00 0.00 C ATOM 712 NE2 HIS A 45 -4.886 -10.493 -3.994 1.00 0.00 N ATOM 0 H HIS A 45 -3.799 -6.844 -2.834 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.255 -6.828 0.094 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.541 -8.887 -0.328 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.201 -7.538 -1.230 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.374 -10.931 -1.907 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.614 -9.326 -5.631 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.618 -11.356 -4.467 1.00 0.00 H new ATOM 721 N TYR A 46 -2.291 -8.241 0.547 1.00 0.00 N ATOM 722 CA TYR A 46 -1.138 -9.085 0.834 1.00 0.00 C ATOM 723 C TYR A 46 -1.047 -9.426 2.327 1.00 0.00 C ATOM 724 O TYR A 46 -1.738 -8.838 3.155 1.00 0.00 O ATOM 725 CB TYR A 46 0.145 -8.420 0.303 1.00 0.00 C ATOM 726 CG TYR A 46 1.041 -7.792 1.348 1.00 0.00 C ATOM 727 CD1 TYR A 46 0.645 -6.663 2.051 1.00 0.00 C ATOM 728 CD2 TYR A 46 2.293 -8.326 1.617 1.00 0.00 C ATOM 729 CE1 TYR A 46 1.472 -6.087 2.997 1.00 0.00 C ATOM 730 CE2 TYR A 46 3.125 -7.758 2.559 1.00 0.00 C ATOM 731 CZ TYR A 46 2.712 -6.640 3.247 1.00 0.00 C ATOM 732 OH TYR A 46 3.538 -6.078 4.190 1.00 0.00 O ATOM 0 H TYR A 46 -2.573 -7.626 1.310 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.260 -10.035 0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.722 -9.168 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.137 -7.651 -0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.324 -6.228 1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.622 -9.203 1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.150 -5.209 3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.096 -8.188 2.756 1.00 0.00 H new ATOM 0 HH TYR A 46 3.763 -5.162 3.923 1.00 0.00 H new ATOM 742 N ALA A 47 -0.207 -10.412 2.644 1.00 0.00 N ATOM 743 CA ALA A 47 -0.035 -10.870 4.018 1.00 0.00 C ATOM 744 C ALA A 47 1.333 -10.497 4.574 1.00 0.00 C ATOM 745 O ALA A 47 2.068 -9.713 3.980 1.00 0.00 O ATOM 746 CB ALA A 47 -0.217 -12.379 4.087 1.00 0.00 C ATOM 0 H ALA A 47 0.366 -10.909 1.962 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.791 -10.374 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.087 -12.714 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.218 -12.641 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.523 -12.864 3.451 1.00 0.00 H new ATOM 752 N SER A 48 1.666 -11.083 5.719 1.00 0.00 N ATOM 753 CA SER A 48 2.944 -10.839 6.370 1.00 0.00 C ATOM 754 C SER A 48 3.299 -11.999 7.289 1.00 0.00 C ATOM 755 O SER A 48 3.813 -11.799 8.387 1.00 0.00 O ATOM 756 CB SER A 48 2.900 -9.531 7.165 1.00 0.00 C ATOM 757 OG SER A 48 1.731 -9.459 7.964 1.00 0.00 O ATOM 0 H SER A 48 1.061 -11.736 6.218 1.00 0.00 H new ATOM 0 HA SER A 48 3.711 -10.753 5.601 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.783 -9.458 7.800 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.929 -8.684 6.480 1.00 0.00 H new ATOM 0 HG SER A 48 1.720 -10.209 8.595 1.00 0.00 H new ATOM 763 N GLY A 49 3.036 -13.215 6.822 1.00 0.00 N ATOM 764 CA GLY A 49 3.352 -14.394 7.602 1.00 0.00 C ATOM 765 C GLY A 49 4.798 -14.781 7.416 1.00 0.00 C ATOM 766 O GLY A 49 5.488 -15.139 8.370 1.00 0.00 O ATOM 0 H GLY A 49 2.609 -13.404 5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.154 -14.203 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.707 -15.220 7.301 1.00 0.00 H new ATOM 770 N SER A 50 5.262 -14.675 6.176 1.00 0.00 N ATOM 771 CA SER A 50 6.643 -14.975 5.847 1.00 0.00 C ATOM 772 C SER A 50 7.492 -13.731 6.054 1.00 0.00 C ATOM 773 O SER A 50 8.618 -13.806 6.544 1.00 0.00 O ATOM 774 CB SER A 50 6.762 -15.459 4.399 1.00 0.00 C ATOM 775 OG SER A 50 5.525 -15.962 3.924 1.00 0.00 O ATOM 0 H SER A 50 4.695 -14.381 5.381 1.00 0.00 H new ATOM 0 HA SER A 50 6.997 -15.771 6.501 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.091 -14.637 3.764 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.523 -16.237 4.334 1.00 0.00 H new ATOM 0 HG SER A 50 5.690 -16.660 3.256 1.00 0.00 H new ATOM 781 N PHE A 51 6.932 -12.581 5.670 1.00 0.00 N ATOM 782 CA PHE A 51 7.606 -11.296 5.796 1.00 0.00 C ATOM 783 C PHE A 51 8.676 -11.143 4.737 1.00 0.00 C ATOM 784 O PHE A 51 9.053 -10.032 4.390 1.00 0.00 O ATOM 785 CB PHE A 51 8.228 -11.115 7.188 1.00 0.00 C ATOM 786 CG PHE A 51 7.254 -11.189 8.334 1.00 0.00 C ATOM 787 CD1 PHE A 51 6.789 -12.411 8.799 1.00 0.00 C ATOM 788 CD2 PHE A 51 6.818 -10.032 8.961 1.00 0.00 C ATOM 789 CE1 PHE A 51 5.910 -12.476 9.862 1.00 0.00 C ATOM 790 CE2 PHE A 51 5.940 -10.092 10.026 1.00 0.00 C ATOM 791 CZ PHE A 51 5.486 -11.314 10.478 1.00 0.00 C ATOM 0 H PHE A 51 5.998 -12.520 5.264 1.00 0.00 H new ATOM 0 HA PHE A 51 6.850 -10.524 5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.992 -11.879 7.330 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.733 -10.149 7.221 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.119 -13.323 8.323 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.169 -9.072 8.613 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.554 -13.434 10.212 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.609 -9.182 10.505 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.801 -11.362 11.311 1.00 0.00 H new ATOM 801 N ASP A 52 9.159 -12.254 4.218 1.00 0.00 N ATOM 802 CA ASP A 52 10.173 -12.222 3.191 1.00 0.00 C ATOM 803 C ASP A 52 9.724 -13.046 2.000 1.00 0.00 C ATOM 804 O ASP A 52 10.538 -13.553 1.232 1.00 0.00 O ATOM 805 CB ASP A 52 11.492 -12.759 3.739 1.00 0.00 C ATOM 806 CG ASP A 52 12.443 -11.654 4.144 1.00 0.00 C ATOM 807 OD1 ASP A 52 11.960 -10.582 4.563 1.00 0.00 O ATOM 808 OD2 ASP A 52 13.671 -11.858 4.041 1.00 0.00 O ATOM 0 H ASP A 52 8.863 -13.190 4.493 1.00 0.00 H new ATOM 0 HA ASP A 52 10.324 -11.191 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.292 -13.396 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.968 -13.385 2.984 1.00 0.00 H new ATOM 813 N ASP A 53 8.414 -13.177 1.860 1.00 0.00 N ATOM 814 CA ASP A 53 7.838 -13.933 0.770 1.00 0.00 C ATOM 815 C ASP A 53 7.006 -13.028 -0.128 1.00 0.00 C ATOM 816 O ASP A 53 6.559 -13.452 -1.194 1.00 0.00 O ATOM 817 CB ASP A 53 6.975 -15.073 1.310 1.00 0.00 C ATOM 818 CG ASP A 53 6.488 -15.998 0.213 1.00 0.00 C ATOM 819 OD1 ASP A 53 5.512 -15.636 -0.480 1.00 0.00 O ATOM 820 OD2 ASP A 53 7.080 -17.085 0.046 1.00 0.00 O ATOM 0 H ASP A 53 7.730 -12.765 2.494 1.00 0.00 H new ATOM 0 HA ASP A 53 8.651 -14.356 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.549 -15.647 2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.117 -14.657 1.838 1.00 0.00 H new ATOM 825 N LYS A 54 6.779 -11.779 0.300 1.00 0.00 N ATOM 826 CA LYS A 54 5.973 -10.864 -0.508 1.00 0.00 C ATOM 827 C LYS A 54 6.781 -9.673 -1.032 1.00 0.00 C ATOM 828 O LYS A 54 6.343 -8.979 -1.949 1.00 0.00 O ATOM 829 CB LYS A 54 4.772 -10.372 0.302 1.00 0.00 C ATOM 830 CG LYS A 54 3.828 -11.490 0.727 1.00 0.00 C ATOM 831 CD LYS A 54 3.465 -12.399 -0.440 1.00 0.00 C ATOM 832 CE LYS A 54 2.831 -11.621 -1.582 1.00 0.00 C ATOM 833 NZ LYS A 54 1.419 -11.251 -1.286 1.00 0.00 N ATOM 0 H LYS A 54 7.131 -11.390 1.175 1.00 0.00 H new ATOM 0 HA LYS A 54 5.628 -11.421 -1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.131 -9.853 1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.217 -9.644 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.295 -12.080 1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.920 -11.058 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.361 -12.907 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.776 -13.172 -0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.411 -10.718 -1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.866 -12.219 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.195 -10.344 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.783 -11.989 -1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.292 -11.161 -0.258 1.00 0.00 H new ATOM 847 N ILE A 55 7.948 -9.427 -0.445 1.00 0.00 N ATOM 848 CA ILE A 55 8.775 -8.300 -0.868 1.00 0.00 C ATOM 849 C ILE A 55 9.825 -8.687 -1.909 1.00 0.00 C ATOM 850 O ILE A 55 10.534 -7.820 -2.407 1.00 0.00 O ATOM 851 CB ILE A 55 9.461 -7.612 0.329 1.00 0.00 C ATOM 852 CG1 ILE A 55 8.455 -7.403 1.458 1.00 0.00 C ATOM 853 CG2 ILE A 55 10.092 -6.294 -0.090 1.00 0.00 C ATOM 854 CD1 ILE A 55 8.458 -8.511 2.477 1.00 0.00 C ATOM 0 H ILE A 55 8.339 -9.984 0.315 1.00 0.00 H new ATOM 0 HA ILE A 55 8.087 -7.596 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 55 10.260 -8.259 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.673 -6.459 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.456 -7.315 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.569 -5.829 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.839 -6.477 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.321 -5.630 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.720 -8.297 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.210 -9.454 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.446 -8.586 2.930 1.00 0.00 H new ATOM 866 N SER A 56 9.892 -9.965 -2.292 1.00 0.00 N ATOM 867 CA SER A 56 10.836 -10.386 -3.340 1.00 0.00 C ATOM 868 C SER A 56 10.174 -10.136 -4.653 1.00 0.00 C ATOM 869 O SER A 56 10.750 -9.623 -5.605 1.00 0.00 O ATOM 870 CB SER A 56 11.213 -11.865 -3.262 1.00 0.00 C ATOM 871 OG SER A 56 10.168 -12.645 -2.707 1.00 0.00 O ATOM 0 H SER A 56 9.319 -10.714 -1.904 1.00 0.00 H new ATOM 0 HA SER A 56 11.759 -9.820 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.451 -12.233 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.113 -11.980 -2.658 1.00 0.00 H new ATOM 0 HG SER A 56 10.493 -13.102 -1.903 1.00 0.00 H new ATOM 877 N HIS A 57 8.924 -10.483 -4.623 1.00 0.00 N ATOM 878 CA HIS A 57 8.014 -10.316 -5.719 1.00 0.00 C ATOM 879 C HIS A 57 7.809 -8.824 -5.938 1.00 0.00 C ATOM 880 O HIS A 57 7.764 -8.337 -7.067 1.00 0.00 O ATOM 881 CB HIS A 57 6.718 -11.013 -5.333 1.00 0.00 C ATOM 882 CG HIS A 57 5.639 -10.927 -6.367 1.00 0.00 C ATOM 883 ND1 HIS A 57 5.719 -11.554 -7.593 1.00 0.00 N ATOM 884 CD2 HIS A 57 4.447 -10.283 -6.354 1.00 0.00 C ATOM 885 CE1 HIS A 57 4.625 -11.300 -8.289 1.00 0.00 C ATOM 886 NE2 HIS A 57 3.837 -10.531 -7.559 1.00 0.00 N ATOM 0 H HIS A 57 8.491 -10.907 -3.803 1.00 0.00 H new ATOM 0 HA HIS A 57 8.388 -10.747 -6.648 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.930 -12.063 -5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.349 -10.579 -4.403 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.050 -9.686 -5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.411 -11.660 -9.285 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.923 -10.179 -7.844 1.00 0.00 H new ATOM 895 N LEU A 58 7.743 -8.105 -4.815 1.00 0.00 N ATOM 896 CA LEU A 58 7.609 -6.662 -4.839 1.00 0.00 C ATOM 897 C LEU A 58 8.990 -6.062 -5.087 1.00 0.00 C ATOM 898 O LEU A 58 9.116 -4.959 -5.610 1.00 0.00 O ATOM 899 CB LEU A 58 6.967 -6.159 -3.534 1.00 0.00 C ATOM 900 CG LEU A 58 7.818 -5.249 -2.642 1.00 0.00 C ATOM 901 CD1 LEU A 58 8.058 -3.902 -3.312 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.133 -5.059 -1.297 1.00 0.00 C ATOM 0 H LEU A 58 7.781 -8.508 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 58 6.944 -6.346 -5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.054 -5.622 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.671 -7.028 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 58 8.787 -5.723 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.664 -3.274 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.580 -4.053 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.102 -3.414 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.742 -4.411 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.155 -4.603 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.010 -6.027 -0.811 1.00 0.00 H new ATOM 914 N VAL A 59 10.024 -6.839 -4.743 1.00 0.00 N ATOM 915 CA VAL A 59 11.410 -6.440 -4.969 1.00 0.00 C ATOM 916 C VAL A 59 11.687 -6.458 -6.473 1.00 0.00 C ATOM 917 O VAL A 59 12.431 -5.631 -7.002 1.00 0.00 O ATOM 918 CB VAL A 59 12.389 -7.415 -4.261 1.00 0.00 C ATOM 919 CG1 VAL A 59 13.538 -7.822 -5.172 1.00 0.00 C ATOM 920 CG2 VAL A 59 12.922 -6.826 -2.962 1.00 0.00 C ATOM 0 H VAL A 59 9.921 -7.754 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 59 11.561 -5.440 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 59 11.819 -8.312 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.200 -8.504 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.142 -8.318 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.096 -6.935 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.604 -7.536 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.453 -5.898 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.091 -6.622 -2.287 1.00 0.00 H new ATOM 930 N GLN A 60 11.073 -7.433 -7.141 1.00 0.00 N ATOM 931 CA GLN A 60 11.216 -7.627 -8.576 1.00 0.00 C ATOM 932 C GLN A 60 10.498 -6.538 -9.345 1.00 0.00 C ATOM 933 O GLN A 60 11.128 -5.626 -9.880 1.00 0.00 O ATOM 934 CB GLN A 60 10.641 -8.985 -8.955 1.00 0.00 C ATOM 935 CG GLN A 60 11.429 -10.142 -8.387 1.00 0.00 C ATOM 936 CD GLN A 60 11.605 -11.277 -9.376 1.00 0.00 C ATOM 937 OE1 GLN A 60 11.421 -11.100 -10.580 1.00 0.00 O ATOM 938 NE2 GLN A 60 11.961 -12.452 -8.871 1.00 0.00 N ATOM 0 H GLN A 60 10.458 -8.114 -6.695 1.00 0.00 H new ATOM 0 HA GLN A 60 12.275 -7.583 -8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.611 -9.048 -8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.613 -9.071 -10.041 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.410 -9.787 -8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.924 -10.517 -7.497 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.103 -12.553 -7.866 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.093 -13.253 -9.488 1.00 0.00 H new ATOM 947 N ASN A 61 9.166 -6.632 -9.380 1.00 0.00 N ATOM 948 CA ASN A 61 8.339 -5.643 -10.071 1.00 0.00 C ATOM 949 C ASN A 61 9.034 -5.133 -11.329 1.00 0.00 C ATOM 950 O ASN A 61 9.046 -3.934 -11.610 1.00 0.00 O ATOM 951 CB ASN A 61 8.022 -4.477 -9.133 1.00 0.00 C ATOM 952 CG ASN A 61 9.272 -3.836 -8.559 1.00 0.00 C ATOM 953 OD1 ASN A 61 9.569 -2.674 -8.839 1.00 0.00 O ATOM 954 ND2 ASN A 61 10.015 -4.587 -7.751 1.00 0.00 N ATOM 0 H ASN A 61 8.638 -7.384 -8.937 1.00 0.00 H new ATOM 0 HA ASN A 61 7.408 -6.124 -10.369 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.448 -3.725 -9.675 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.392 -4.832 -8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.866 -4.204 -7.338 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.734 -5.545 -7.544 1.00 0.00 H new ATOM 961 N VAL A 62 9.622 -6.064 -12.071 1.00 0.00 N ATOM 962 CA VAL A 62 10.346 -5.744 -13.303 1.00 0.00 C ATOM 963 C VAL A 62 9.600 -4.720 -14.159 1.00 0.00 C ATOM 964 O VAL A 62 10.212 -3.983 -14.933 1.00 0.00 O ATOM 965 CB VAL A 62 10.598 -7.009 -14.147 1.00 0.00 C ATOM 966 CG1 VAL A 62 11.520 -6.700 -15.318 1.00 0.00 C ATOM 967 CG2 VAL A 62 11.176 -8.121 -13.282 1.00 0.00 C ATOM 0 H VAL A 62 9.613 -7.058 -11.840 1.00 0.00 H new ATOM 0 HA VAL A 62 11.299 -5.314 -12.993 1.00 0.00 H new ATOM 0 HB VAL A 62 9.644 -7.350 -14.549 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.685 -7.606 -15.900 1.00 0.00 H new ATOM 0 HG12 VAL A 62 11.062 -5.940 -15.951 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.475 -6.332 -14.942 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.348 -9.006 -13.894 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.120 -7.791 -12.848 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.475 -8.363 -12.483 1.00 0.00 H new ATOM 977 N LYS A 63 8.278 -4.677 -14.020 1.00 0.00 N ATOM 978 CA LYS A 63 7.453 -3.743 -14.784 1.00 0.00 C ATOM 979 C LYS A 63 7.991 -2.312 -14.701 1.00 0.00 C ATOM 980 O LYS A 63 7.700 -1.486 -15.566 1.00 0.00 O ATOM 981 CB LYS A 63 6.009 -3.781 -14.284 1.00 0.00 C ATOM 982 CG LYS A 63 5.166 -4.858 -14.947 1.00 0.00 C ATOM 983 CD LYS A 63 4.272 -4.280 -16.032 1.00 0.00 C ATOM 984 CE LYS A 63 4.888 -4.452 -17.411 1.00 0.00 C ATOM 985 NZ LYS A 63 5.641 -3.243 -17.840 1.00 0.00 N ATOM 0 H LYS A 63 7.753 -5.278 -13.385 1.00 0.00 H new ATOM 0 HA LYS A 63 7.486 -4.056 -15.828 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.010 -3.944 -13.206 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.547 -2.810 -14.459 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.818 -5.617 -15.378 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.552 -5.355 -14.195 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.299 -4.771 -16.003 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.101 -3.221 -15.838 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.557 -5.312 -17.404 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.102 -4.665 -18.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.309 -3.500 -18.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.975 -2.528 -18.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.166 -2.855 -17.030 1.00 0.00 H new ATOM 999 N ASP A 64 8.771 -2.025 -13.658 1.00 0.00 N ATOM 1000 CA ASP A 64 9.346 -0.693 -13.460 1.00 0.00 C ATOM 1001 C ASP A 64 8.319 0.252 -12.844 1.00 0.00 C ATOM 1002 O ASP A 64 8.524 0.775 -11.750 1.00 0.00 O ATOM 1003 CB ASP A 64 9.866 -0.119 -14.782 1.00 0.00 C ATOM 1004 CG ASP A 64 10.914 0.957 -14.573 1.00 0.00 C ATOM 1005 OD1 ASP A 64 11.869 0.713 -13.807 1.00 0.00 O ATOM 1006 OD2 ASP A 64 10.778 2.042 -15.176 1.00 0.00 O ATOM 0 H ASP A 64 9.020 -2.700 -12.935 1.00 0.00 H new ATOM 0 HA ASP A 64 10.186 -0.791 -12.773 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.290 -0.924 -15.382 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.032 0.295 -15.348 1.00 0.00 H new ATOM 1011 N LYS A 65 7.210 0.460 -13.548 1.00 0.00 N ATOM 1012 CA LYS A 65 6.147 1.333 -13.057 1.00 0.00 C ATOM 1013 C LYS A 65 5.593 0.801 -11.751 1.00 0.00 C ATOM 1014 O LYS A 65 4.747 -0.094 -11.745 1.00 0.00 O ATOM 1015 CB LYS A 65 5.020 1.423 -14.078 1.00 0.00 C ATOM 1016 CG LYS A 65 4.701 2.836 -14.537 1.00 0.00 C ATOM 1017 CD LYS A 65 3.207 3.026 -14.754 1.00 0.00 C ATOM 1018 CE LYS A 65 2.833 2.878 -16.221 1.00 0.00 C ATOM 1019 NZ LYS A 65 3.644 3.767 -17.096 1.00 0.00 N ATOM 0 H LYS A 65 7.024 0.038 -14.458 1.00 0.00 H new ATOM 0 HA LYS A 65 6.568 2.325 -12.896 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.285 0.822 -14.948 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.121 0.982 -13.648 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.056 3.550 -13.794 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.235 3.048 -15.463 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.656 2.295 -14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.909 4.013 -14.399 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.973 1.842 -16.528 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.776 3.109 -16.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.064 4.089 -17.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.968 4.591 -16.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.468 3.244 -17.454 1.00 0.00 H new ATOM 1033 N ASP A 66 6.065 1.350 -10.650 1.00 0.00 N ATOM 1034 CA ASP A 66 5.590 0.908 -9.346 1.00 0.00 C ATOM 1035 C ASP A 66 5.735 1.958 -8.253 1.00 0.00 C ATOM 1036 O ASP A 66 6.833 2.320 -7.851 1.00 0.00 O ATOM 1037 CB ASP A 66 6.338 -0.359 -8.919 1.00 0.00 C ATOM 1038 CG ASP A 66 7.787 -0.366 -9.369 1.00 0.00 C ATOM 1039 OD1 ASP A 66 8.579 0.438 -8.833 1.00 0.00 O ATOM 1040 OD2 ASP A 66 8.130 -1.176 -10.256 1.00 0.00 O ATOM 0 H ASP A 66 6.766 2.091 -10.626 1.00 0.00 H new ATOM 0 HA ASP A 66 4.524 0.713 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.299 -0.450 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.830 -1.231 -9.331 1.00 0.00 H new ATOM 1045 N THR A 67 4.595 2.361 -7.721 1.00 0.00 N ATOM 1046 CA THR A 67 4.522 3.279 -6.599 1.00 0.00 C ATOM 1047 C THR A 67 3.737 2.562 -5.510 1.00 0.00 C ATOM 1048 O THR A 67 2.677 2.003 -5.795 1.00 0.00 O ATOM 1049 CB THR A 67 3.860 4.604 -7.001 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.777 5.423 -7.704 1.00 0.00 O ATOM 1051 CG2 THR A 67 3.341 5.412 -5.827 1.00 0.00 C ATOM 0 H THR A 67 3.683 2.056 -8.060 1.00 0.00 H new ATOM 0 HA THR A 67 5.518 3.546 -6.244 1.00 0.00 H new ATOM 0 HB THR A 67 3.011 4.319 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.339 6.263 -7.955 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.887 6.334 -6.192 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.595 4.830 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.167 5.654 -5.158 1.00 0.00 H new ATOM 1059 N LEU A 68 4.239 2.528 -4.287 1.00 0.00 N ATOM 1060 CA LEU A 68 3.525 1.809 -3.240 1.00 0.00 C ATOM 1061 C LEU A 68 3.358 2.617 -1.964 1.00 0.00 C ATOM 1062 O LEU A 68 4.306 3.204 -1.446 1.00 0.00 O ATOM 1063 CB LEU A 68 4.238 0.493 -2.928 1.00 0.00 C ATOM 1064 CG LEU A 68 3.711 -0.724 -3.690 1.00 0.00 C ATOM 1065 CD1 LEU A 68 4.297 -0.769 -5.094 1.00 0.00 C ATOM 1066 CD2 LEU A 68 4.032 -2.003 -2.932 1.00 0.00 C ATOM 0 H LEU A 68 5.110 2.974 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 68 2.524 1.614 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.299 0.610 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.156 0.297 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 68 2.628 -0.638 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.911 -1.641 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.017 0.135 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.383 -0.833 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.651 -2.860 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.112 -2.096 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.564 -1.970 -1.948 1.00 0.00 H new ATOM 1078 N VAL A 69 2.139 2.599 -1.445 1.00 0.00 N ATOM 1079 CA VAL A 69 1.816 3.277 -0.203 1.00 0.00 C ATOM 1080 C VAL A 69 1.232 2.257 0.761 1.00 0.00 C ATOM 1081 O VAL A 69 0.268 1.581 0.424 1.00 0.00 O ATOM 1082 CB VAL A 69 0.811 4.435 -0.411 1.00 0.00 C ATOM 1083 CG1 VAL A 69 1.433 5.758 0.006 1.00 0.00 C ATOM 1084 CG2 VAL A 69 0.335 4.501 -1.856 1.00 0.00 C ATOM 0 H VAL A 69 1.350 2.115 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 69 2.730 3.716 0.198 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.058 4.243 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.713 6.562 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.710 5.714 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.322 5.948 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.370 5.325 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.189 4.661 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.156 3.564 -2.121 1.00 0.00 H new ATOM 1094 N PHE A 70 1.808 2.119 1.951 1.00 0.00 N ATOM 1095 CA PHE A 70 1.300 1.127 2.895 1.00 0.00 C ATOM 1096 C PHE A 70 0.418 1.765 3.941 1.00 0.00 C ATOM 1097 O PHE A 70 0.554 2.950 4.239 1.00 0.00 O ATOM 1098 CB PHE A 70 2.439 0.407 3.629 1.00 0.00 C ATOM 1099 CG PHE A 70 3.645 0.102 2.796 1.00 0.00 C ATOM 1100 CD1 PHE A 70 3.589 -0.854 1.803 1.00 0.00 C ATOM 1101 CD2 PHE A 70 4.839 0.762 3.024 1.00 0.00 C ATOM 1102 CE1 PHE A 70 4.704 -1.150 1.042 1.00 0.00 C ATOM 1103 CE2 PHE A 70 5.959 0.471 2.271 1.00 0.00 C ATOM 1104 CZ PHE A 70 5.891 -0.486 1.277 1.00 0.00 C ATOM 0 H PHE A 70 2.605 2.664 2.280 1.00 0.00 H new ATOM 0 HA PHE A 70 0.729 0.413 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.748 1.020 4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.053 -0.528 4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.663 -1.377 1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.896 1.512 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.647 -1.899 0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.887 0.991 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.765 -0.714 0.685 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.475 0.947 4.507 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.398 1.396 5.564 1.00 0.00 C ATOM 1116 C HIS A 71 -2.814 1.555 5.032 1.00 0.00 C ATOM 1117 O HIS A 71 -3.680 0.723 5.302 1.00 0.00 O ATOM 1118 CB HIS A 71 -0.933 2.719 6.199 1.00 0.00 C ATOM 1119 CG HIS A 71 -1.604 3.050 7.500 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -1.282 2.445 8.698 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -2.570 3.954 7.788 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -2.019 2.963 9.664 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -2.807 3.881 9.138 1.00 0.00 N ATOM 0 H HIS A 71 -0.581 -0.035 4.252 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.395 0.623 6.332 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.144 2.672 6.361 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.114 3.530 5.494 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.063 4.610 7.086 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.983 2.683 10.706 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -3.483 4.446 9.652 1.00 0.00 H new ATOM 1132 N SER A 72 -3.055 2.632 4.288 1.00 0.00 N ATOM 1133 CA SER A 72 -4.371 2.895 3.740 1.00 0.00 C ATOM 1134 C SER A 72 -5.310 3.373 4.843 1.00 0.00 C ATOM 1135 O SER A 72 -6.383 2.817 5.049 1.00 0.00 O ATOM 1136 CB SER A 72 -4.927 1.638 3.061 1.00 0.00 C ATOM 1137 OG SER A 72 -5.627 1.967 1.872 1.00 0.00 O ATOM 0 H SER A 72 -2.352 3.333 4.054 1.00 0.00 H new ATOM 0 HA SER A 72 -4.291 3.680 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.110 0.955 2.828 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.594 1.115 3.747 1.00 0.00 H new ATOM 0 HG SER A 72 -6.022 2.859 1.961 1.00 0.00 H new ATOM 1143 N ALA A 73 -4.886 4.415 5.556 1.00 0.00 N ATOM 1144 CA ALA A 73 -5.674 4.990 6.649 1.00 0.00 C ATOM 1145 C ALA A 73 -5.473 4.226 7.954 1.00 0.00 C ATOM 1146 O ALA A 73 -5.307 4.833 9.013 1.00 0.00 O ATOM 1147 CB ALA A 73 -7.154 5.042 6.288 1.00 0.00 C ATOM 0 H ALA A 73 -3.994 4.883 5.396 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.317 6.009 6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.716 5.473 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.290 5.657 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.516 4.033 6.090 1.00 0.00 H new ATOM 1153 N LEU A 74 -5.488 2.894 7.879 1.00 0.00 N ATOM 1154 CA LEU A 74 -5.310 2.050 9.049 1.00 0.00 C ATOM 1155 C LEU A 74 -5.670 0.611 8.704 1.00 0.00 C ATOM 1156 O LEU A 74 -6.548 0.015 9.329 1.00 0.00 O ATOM 1157 CB LEU A 74 -6.172 2.543 10.222 1.00 0.00 C ATOM 1158 CG LEU A 74 -5.392 2.906 11.490 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -5.391 4.412 11.709 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -5.976 2.189 12.700 1.00 0.00 C ATOM 0 H LEU A 74 -5.623 2.378 7.009 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.265 2.099 9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.735 3.418 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.899 1.769 10.469 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.360 2.580 11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.832 4.648 12.614 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.924 4.903 10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.417 4.765 11.814 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.409 2.459 13.591 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.018 2.483 12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.920 1.111 12.547 1.00 0.00 H new ATOM 1172 N SER A 75 -4.982 0.042 7.712 1.00 0.00 N ATOM 1173 CA SER A 75 -5.248 -1.337 7.320 1.00 0.00 C ATOM 1174 C SER A 75 -5.211 -2.223 8.556 1.00 0.00 C ATOM 1175 O SER A 75 -5.903 -3.240 8.640 1.00 0.00 O ATOM 1176 CB SER A 75 -4.221 -1.816 6.294 1.00 0.00 C ATOM 1177 OG SER A 75 -4.237 -3.228 6.177 1.00 0.00 O ATOM 0 H SER A 75 -4.250 0.507 7.176 1.00 0.00 H new ATOM 0 HA SER A 75 -6.234 -1.393 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.433 -1.365 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.226 -1.484 6.589 1.00 0.00 H new ATOM 0 HG SER A 75 -5.127 -3.522 5.891 1.00 0.00 H new ATOM 1183 N GLN A 76 -4.403 -1.800 9.520 1.00 0.00 N ATOM 1184 CA GLN A 76 -4.251 -2.512 10.790 1.00 0.00 C ATOM 1185 C GLN A 76 -3.162 -1.874 11.658 1.00 0.00 C ATOM 1186 O GLN A 76 -2.548 -2.548 12.484 1.00 0.00 O ATOM 1187 CB GLN A 76 -3.927 -4.004 10.571 1.00 0.00 C ATOM 1188 CG GLN A 76 -3.333 -4.362 9.207 1.00 0.00 C ATOM 1189 CD GLN A 76 -2.324 -3.352 8.687 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -1.905 -2.445 9.401 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -1.931 -3.510 7.429 1.00 0.00 N ATOM 0 H GLN A 76 -3.834 -0.956 9.447 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.207 -2.437 11.308 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.229 -4.322 11.345 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.842 -4.580 10.710 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.852 -5.338 9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.143 -4.457 8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.304 -4.278 6.871 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.256 -2.864 7.021 1.00 0.00 H new ATOM 1200 N VAL A 77 -2.923 -0.575 11.466 1.00 0.00 N ATOM 1201 CA VAL A 77 -1.903 0.143 12.229 1.00 0.00 C ATOM 1202 C VAL A 77 -0.485 -0.280 11.831 1.00 0.00 C ATOM 1203 O VAL A 77 0.490 0.364 12.216 1.00 0.00 O ATOM 1204 CB VAL A 77 -2.078 -0.069 13.745 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -1.177 0.878 14.521 1.00 0.00 C ATOM 1206 CG2 VAL A 77 -3.534 0.117 14.148 1.00 0.00 C ATOM 0 H VAL A 77 -3.423 0.000 10.788 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.036 1.199 11.993 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.788 -1.092 13.987 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.313 0.715 15.590 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.137 0.691 14.255 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.434 1.908 14.275 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.637 -0.037 15.222 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.856 1.127 13.894 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.154 -0.606 13.617 1.00 0.00 H new ATOM 1216 N ARG A 78 -0.376 -1.364 11.068 1.00 0.00 N ATOM 1217 CA ARG A 78 0.917 -1.871 10.629 1.00 0.00 C ATOM 1218 C ARG A 78 1.486 -1.055 9.478 1.00 0.00 C ATOM 1219 O ARG A 78 2.692 -1.028 9.298 1.00 0.00 O ATOM 1220 CB ARG A 78 0.797 -3.342 10.228 1.00 0.00 C ATOM 1221 CG ARG A 78 1.604 -4.278 11.112 1.00 0.00 C ATOM 1222 CD ARG A 78 0.738 -4.916 12.185 1.00 0.00 C ATOM 1223 NE ARG A 78 1.460 -5.946 12.928 1.00 0.00 N ATOM 1224 CZ ARG A 78 2.384 -5.683 13.849 1.00 0.00 C ATOM 1225 NH1 ARG A 78 2.698 -4.429 14.146 1.00 0.00 N ATOM 1226 NH2 ARG A 78 2.994 -6.679 14.477 1.00 0.00 N ATOM 0 H ARG A 78 -1.173 -1.909 10.740 1.00 0.00 H new ATOM 0 HA ARG A 78 1.608 -1.781 11.467 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.252 -3.636 10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.126 -3.457 9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.059 -5.057 10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.418 -3.725 11.581 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.390 -4.147 12.875 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.147 -5.354 11.724 1.00 0.00 H new ATOM 0 HE ARG A 78 1.243 -6.923 12.729 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.230 -3.659 13.667 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.407 -4.235 14.853 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.755 -7.645 14.254 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.702 -6.479 15.183 1.00 0.00 H new ATOM 1240 N GLY A 79 0.619 -0.401 8.701 1.00 0.00 N ATOM 1241 CA GLY A 79 1.074 0.409 7.568 1.00 0.00 C ATOM 1242 C GLY A 79 2.584 0.655 7.570 1.00 0.00 C ATOM 1243 O GLY A 79 3.302 0.180 6.694 1.00 0.00 O ATOM 0 H GLY A 79 -0.392 -0.416 8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.795 -0.088 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.556 1.368 7.584 1.00 0.00 H new ATOM 1247 N PRO A 80 3.083 1.395 8.581 1.00 0.00 N ATOM 1248 CA PRO A 80 4.511 1.691 8.720 1.00 0.00 C ATOM 1249 C PRO A 80 5.318 0.412 8.879 1.00 0.00 C ATOM 1250 O PRO A 80 6.377 0.251 8.272 1.00 0.00 O ATOM 1251 CB PRO A 80 4.591 2.541 9.996 1.00 0.00 C ATOM 1252 CG PRO A 80 3.205 3.043 10.217 1.00 0.00 C ATOM 1253 CD PRO A 80 2.293 1.983 9.674 1.00 0.00 C ATOM 0 HA PRO A 80 4.918 2.200 7.846 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.935 1.948 10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.294 3.365 9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.016 3.215 11.277 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.047 3.993 9.706 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.039 1.242 10.432 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.355 2.404 9.313 1.00 0.00 H new ATOM 1261 N THR A 81 4.793 -0.510 9.685 1.00 0.00 N ATOM 1262 CA THR A 81 5.446 -1.790 9.904 1.00 0.00 C ATOM 1263 C THR A 81 5.562 -2.550 8.588 1.00 0.00 C ATOM 1264 O THR A 81 6.529 -3.277 8.365 1.00 0.00 O ATOM 1265 CB THR A 81 4.662 -2.620 10.916 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.256 -1.824 12.017 1.00 0.00 O ATOM 1267 CG2 THR A 81 5.444 -3.795 11.464 1.00 0.00 C ATOM 0 H THR A 81 3.918 -0.390 10.195 1.00 0.00 H new ATOM 0 HA THR A 81 6.445 -1.607 10.299 1.00 0.00 H new ATOM 0 HB THR A 81 3.801 -3.001 10.366 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.754 -2.376 12.652 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.827 -4.342 12.177 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.726 -4.458 10.646 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.342 -3.433 11.964 1.00 0.00 H new ATOM 1275 N CYS A 82 4.577 -2.357 7.705 1.00 0.00 N ATOM 1276 CA CYS A 82 4.591 -3.007 6.404 1.00 0.00 C ATOM 1277 C CYS A 82 5.814 -2.536 5.647 1.00 0.00 C ATOM 1278 O CYS A 82 6.515 -3.326 5.014 1.00 0.00 O ATOM 1279 CB CYS A 82 3.311 -2.690 5.621 1.00 0.00 C ATOM 1280 SG CYS A 82 3.338 -3.232 3.896 1.00 0.00 S ATOM 0 H CYS A 82 3.768 -1.759 7.872 1.00 0.00 H new ATOM 0 HA CYS A 82 4.632 -4.088 6.534 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.466 -3.160 6.124 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.140 -1.614 5.649 1.00 0.00 H new ATOM 0 HG CYS A 82 3.185 -2.204 3.116 1.00 0.00 H new ATOM 1286 N ALA A 83 6.090 -1.238 5.754 1.00 0.00 N ATOM 1287 CA ALA A 83 7.265 -0.676 5.110 1.00 0.00 C ATOM 1288 C ALA A 83 8.511 -1.247 5.768 1.00 0.00 C ATOM 1289 O ALA A 83 9.524 -1.489 5.110 1.00 0.00 O ATOM 1290 CB ALA A 83 7.256 0.843 5.189 1.00 0.00 C ATOM 0 H ALA A 83 5.523 -0.568 6.273 1.00 0.00 H new ATOM 0 HA ALA A 83 7.259 -0.945 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.146 1.238 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.367 1.228 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.249 1.153 6.234 1.00 0.00 H new ATOM 1296 N ARG A 84 8.412 -1.499 7.073 1.00 0.00 N ATOM 1297 CA ARG A 84 9.514 -2.088 7.813 1.00 0.00 C ATOM 1298 C ARG A 84 9.780 -3.476 7.255 1.00 0.00 C ATOM 1299 O ARG A 84 10.925 -3.922 7.172 1.00 0.00 O ATOM 1300 CB ARG A 84 9.184 -2.169 9.306 1.00 0.00 C ATOM 1301 CG ARG A 84 9.839 -1.079 10.142 1.00 0.00 C ATOM 1302 CD ARG A 84 11.351 -1.063 9.972 1.00 0.00 C ATOM 1303 NE ARG A 84 11.950 -2.375 10.210 1.00 0.00 N ATOM 1304 CZ ARG A 84 13.239 -2.562 10.485 1.00 0.00 C ATOM 1305 NH1 ARG A 84 14.066 -1.526 10.562 1.00 0.00 N ATOM 1306 NH2 ARG A 84 13.703 -3.788 10.685 1.00 0.00 N ATOM 0 H ARG A 84 7.582 -1.304 7.632 1.00 0.00 H new ATOM 0 HA ARG A 84 10.402 -1.465 7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.103 -2.110 9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.497 -3.142 9.685 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.432 -0.109 9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.594 -1.231 11.193 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.597 -0.731 8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.784 -0.338 10.661 1.00 0.00 H new ATOM 0 HE ARG A 84 11.345 -3.195 10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.715 -0.581 10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.053 -1.676 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.072 -4.588 10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.691 -3.931 10.896 1.00 0.00 H new ATOM 1320 N ARG A 85 8.702 -4.142 6.843 1.00 0.00 N ATOM 1321 CA ARG A 85 8.796 -5.466 6.257 1.00 0.00 C ATOM 1322 C ARG A 85 9.548 -5.378 4.940 1.00 0.00 C ATOM 1323 O ARG A 85 10.373 -6.236 4.627 1.00 0.00 O ATOM 1324 CB ARG A 85 7.401 -6.056 6.035 1.00 0.00 C ATOM 1325 CG ARG A 85 7.100 -7.259 6.914 1.00 0.00 C ATOM 1326 CD ARG A 85 5.651 -7.266 7.374 1.00 0.00 C ATOM 1327 NE ARG A 85 5.530 -7.006 8.807 1.00 0.00 N ATOM 1328 CZ ARG A 85 4.379 -6.741 9.418 1.00 0.00 C ATOM 1329 NH1 ARG A 85 3.247 -6.693 8.724 1.00 0.00 N ATOM 1330 NH2 ARG A 85 4.358 -6.520 10.725 1.00 0.00 N ATOM 0 H ARG A 85 7.751 -3.778 6.908 1.00 0.00 H new ATOM 0 HA ARG A 85 9.336 -6.123 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.655 -5.284 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.301 -6.347 4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.312 -8.175 6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.758 -7.250 7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.091 -6.512 6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.202 -8.231 7.142 1.00 0.00 H new ATOM 0 HE ARG A 85 6.379 -7.029 9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.258 -6.860 7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.367 -6.489 9.197 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.225 -6.553 11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.475 -6.317 11.194 1.00 0.00 H new ATOM 1344 N LEU A 86 9.285 -4.314 4.179 1.00 0.00 N ATOM 1345 CA LEU A 86 9.979 -4.120 2.919 1.00 0.00 C ATOM 1346 C LEU A 86 11.472 -4.055 3.198 1.00 0.00 C ATOM 1347 O LEU A 86 12.285 -4.639 2.483 1.00 0.00 O ATOM 1348 CB LEU A 86 9.503 -2.839 2.230 1.00 0.00 C ATOM 1349 CG LEU A 86 8.614 -3.061 1.006 1.00 0.00 C ATOM 1350 CD1 LEU A 86 7.154 -3.160 1.421 1.00 0.00 C ATOM 1351 CD2 LEU A 86 8.811 -1.943 -0.005 1.00 0.00 C ATOM 0 H LEU A 86 8.607 -3.589 4.413 1.00 0.00 H new ATOM 0 HA LEU A 86 9.764 -4.952 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.956 -2.236 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.376 -2.260 1.927 1.00 0.00 H new ATOM 0 HG LEU A 86 8.901 -4.001 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.535 -3.318 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.027 -3.997 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.853 -2.236 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.171 -2.117 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.551 -0.989 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.853 -1.920 -0.324 1.00 0.00 H new ATOM 1363 N VAL A 87 11.807 -3.357 4.279 1.00 0.00 N ATOM 1364 CA VAL A 87 13.187 -3.229 4.707 1.00 0.00 C ATOM 1365 C VAL A 87 13.733 -4.584 5.140 1.00 0.00 C ATOM 1366 O VAL A 87 14.899 -4.893 4.914 1.00 0.00 O ATOM 1367 CB VAL A 87 13.327 -2.235 5.875 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.794 -1.957 6.166 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.578 -0.943 5.575 1.00 0.00 C ATOM 0 H VAL A 87 11.135 -2.871 4.873 1.00 0.00 H new ATOM 0 HA VAL A 87 13.757 -2.852 3.858 1.00 0.00 H new ATOM 0 HB VAL A 87 12.883 -2.683 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.874 -1.253 6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 87 15.295 -2.888 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.266 -1.531 5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.690 -0.255 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.987 -0.487 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.521 -1.162 5.424 1.00 0.00 H new ATOM 1379 N ASN A 88 12.875 -5.383 5.777 1.00 0.00 N ATOM 1380 CA ASN A 88 13.265 -6.702 6.263 1.00 0.00 C ATOM 1381 C ASN A 88 13.710 -7.615 5.123 1.00 0.00 C ATOM 1382 O ASN A 88 14.790 -8.203 5.179 1.00 0.00 O ATOM 1383 CB ASN A 88 12.099 -7.333 7.050 1.00 0.00 C ATOM 1384 CG ASN A 88 11.624 -8.663 6.480 1.00 0.00 C ATOM 1385 OD1 ASN A 88 12.122 -9.723 6.857 1.00 0.00 O ATOM 1386 ND2 ASN A 88 10.653 -8.612 5.568 1.00 0.00 N ATOM 0 H ASN A 88 11.904 -5.136 5.967 1.00 0.00 H new ATOM 0 HA ASN A 88 14.120 -6.582 6.928 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.409 -7.481 8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.262 -6.635 7.065 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.295 -9.473 5.155 1.00 0.00 H new ATOM 0 HD22 ASN A 88 10.268 -7.712 5.283 1.00 0.00 H new ATOM 1393 N TYR A 89 12.876 -7.743 4.098 1.00 0.00 N ATOM 1394 CA TYR A 89 13.209 -8.601 2.968 1.00 0.00 C ATOM 1395 C TYR A 89 14.407 -8.057 2.210 1.00 0.00 C ATOM 1396 O TYR A 89 15.380 -8.778 1.991 1.00 0.00 O ATOM 1397 CB TYR A 89 12.011 -8.764 2.032 1.00 0.00 C ATOM 1398 CG TYR A 89 12.066 -10.003 1.151 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.225 -10.759 1.043 1.00 0.00 C ATOM 1400 CD2 TYR A 89 10.957 -10.404 0.412 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.274 -11.876 0.236 1.00 0.00 C ATOM 1402 CE2 TYR A 89 10.992 -11.519 -0.396 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.158 -12.255 -0.479 1.00 0.00 C ATOM 1404 OH TYR A 89 12.207 -13.381 -1.271 1.00 0.00 O ATOM 0 H TYR A 89 11.975 -7.270 4.026 1.00 0.00 H new ATOM 0 HA TYR A 89 13.470 -9.584 3.361 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.100 -8.798 2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.941 -7.883 1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.103 -10.468 1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.046 -9.827 0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.184 -12.453 0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.118 -11.814 -0.958 1.00 0.00 H new ATOM 0 HH TYR A 89 11.663 -14.089 -0.867 1.00 0.00 H new ATOM 1414 N LEU A 90 14.364 -6.784 1.827 1.00 0.00 N ATOM 1415 CA LEU A 90 15.497 -6.204 1.116 1.00 0.00 C ATOM 1416 C LEU A 90 16.764 -6.411 1.941 1.00 0.00 C ATOM 1417 O LEU A 90 17.864 -6.520 1.402 1.00 0.00 O ATOM 1418 CB LEU A 90 15.273 -4.718 0.820 1.00 0.00 C ATOM 1419 CG LEU A 90 15.144 -3.808 2.040 1.00 0.00 C ATOM 1420 CD1 LEU A 90 16.507 -3.559 2.672 1.00 0.00 C ATOM 1421 CD2 LEU A 90 14.490 -2.492 1.646 1.00 0.00 C ATOM 0 H LEU A 90 13.581 -6.151 1.991 1.00 0.00 H new ATOM 0 HA LEU A 90 15.604 -6.707 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.102 -4.360 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.369 -4.619 0.220 1.00 0.00 H new ATOM 0 HG LEU A 90 14.513 -4.305 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.393 -2.909 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.942 -4.508 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.164 -3.082 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.403 -1.852 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.100 -1.994 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.498 -2.686 1.239 1.00 0.00 H new ATOM 1433 N ASP A 91 16.588 -6.495 3.259 1.00 0.00 N ATOM 1434 CA ASP A 91 17.701 -6.726 4.167 1.00 0.00 C ATOM 1435 C ASP A 91 18.235 -8.143 3.998 1.00 0.00 C ATOM 1436 O ASP A 91 19.441 -8.377 4.074 1.00 0.00 O ATOM 1437 CB ASP A 91 17.269 -6.509 5.621 1.00 0.00 C ATOM 1438 CG ASP A 91 18.447 -6.280 6.547 1.00 0.00 C ATOM 1439 OD1 ASP A 91 19.119 -7.269 6.909 1.00 0.00 O ATOM 1440 OD2 ASP A 91 18.696 -5.111 6.913 1.00 0.00 O ATOM 0 H ASP A 91 15.682 -6.406 3.719 1.00 0.00 H new ATOM 0 HA ASP A 91 18.489 -6.013 3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.598 -5.652 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.705 -7.377 5.963 1.00 0.00 H new ATOM 1445 N GLU A 92 17.324 -9.091 3.775 1.00 0.00 N ATOM 1446 CA GLU A 92 17.706 -10.489 3.604 1.00 0.00 C ATOM 1447 C GLU A 92 18.306 -10.737 2.223 1.00 0.00 C ATOM 1448 O GLU A 92 19.468 -11.124 2.102 1.00 0.00 O ATOM 1449 CB GLU A 92 16.494 -11.398 3.817 1.00 0.00 C ATOM 1450 CG GLU A 92 16.814 -12.663 4.597 1.00 0.00 C ATOM 1451 CD GLU A 92 16.701 -12.469 6.096 1.00 0.00 C ATOM 1452 OE1 GLU A 92 16.033 -11.503 6.521 1.00 0.00 O ATOM 1453 OE2 GLU A 92 17.280 -13.282 6.846 1.00 0.00 O ATOM 0 H GLU A 92 16.321 -8.915 3.709 1.00 0.00 H new ATOM 0 HA GLU A 92 18.466 -10.721 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.720 -10.841 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.082 -11.674 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.137 -13.458 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 92 17.824 -12.990 4.352 1.00 0.00 H new ATOM 1460 N LYS A 93 17.504 -10.522 1.186 1.00 0.00 N ATOM 1461 CA LYS A 93 17.952 -10.733 -0.187 1.00 0.00 C ATOM 1462 C LYS A 93 18.988 -9.691 -0.605 1.00 0.00 C ATOM 1463 O LYS A 93 20.151 -10.021 -0.835 1.00 0.00 O ATOM 1464 CB LYS A 93 16.760 -10.692 -1.144 1.00 0.00 C ATOM 1465 CG LYS A 93 16.912 -11.612 -2.344 1.00 0.00 C ATOM 1466 CD LYS A 93 16.697 -13.066 -1.961 1.00 0.00 C ATOM 1467 CE LYS A 93 17.120 -14.005 -3.079 1.00 0.00 C ATOM 1468 NZ LYS A 93 16.384 -13.731 -4.343 1.00 0.00 N ATOM 0 H LYS A 93 16.539 -10.201 1.270 1.00 0.00 H new ATOM 0 HA LYS A 93 18.422 -11.715 -0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.857 -10.966 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.622 -9.670 -1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.196 -11.328 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.907 -11.491 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.265 -13.294 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.645 -13.230 -1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.191 -13.902 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.944 -15.036 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.639 -14.445 -5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.360 -13.770 -4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.638 -12.786 -4.695 1.00 0.00 H new ATOM 1482 N LYS A 94 18.557 -8.438 -0.707 1.00 0.00 N ATOM 1483 CA LYS A 94 19.447 -7.351 -1.107 1.00 0.00 C ATOM 1484 C LYS A 94 18.709 -6.015 -1.088 1.00 0.00 C ATOM 1485 O LYS A 94 17.480 -5.975 -1.135 1.00 0.00 O ATOM 1486 CB LYS A 94 20.010 -7.619 -2.506 1.00 0.00 C ATOM 1487 CG LYS A 94 21.116 -6.659 -2.914 1.00 0.00 C ATOM 1488 CD LYS A 94 20.594 -5.568 -3.835 1.00 0.00 C ATOM 1489 CE LYS A 94 21.698 -4.606 -4.242 1.00 0.00 C ATOM 1490 NZ LYS A 94 21.310 -3.783 -5.420 1.00 0.00 N ATOM 0 H LYS A 94 17.597 -8.149 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 94 20.271 -7.301 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.394 -8.639 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.200 -7.556 -3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.554 -6.207 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.911 -7.210 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.158 -6.020 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 94 19.797 -5.018 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.936 -3.951 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.602 -5.168 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.089 -3.140 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.107 -4.406 -6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.462 -3.227 -5.191 1.00 0.00 H new ATOM 1504 N GLU A 95 19.466 -4.923 -1.010 1.00 0.00 N ATOM 1505 CA GLU A 95 18.882 -3.585 -0.977 1.00 0.00 C ATOM 1506 C GLU A 95 17.969 -3.350 -2.178 1.00 0.00 C ATOM 1507 O GLU A 95 17.643 -4.278 -2.917 1.00 0.00 O ATOM 1508 CB GLU A 95 19.984 -2.523 -0.940 1.00 0.00 C ATOM 1509 CG GLU A 95 19.698 -1.386 0.027 1.00 0.00 C ATOM 1510 CD GLU A 95 20.341 -0.081 -0.399 1.00 0.00 C ATOM 1511 OE1 GLU A 95 21.434 -0.127 -1.002 1.00 0.00 O ATOM 1512 OE2 GLU A 95 19.753 0.987 -0.129 1.00 0.00 O ATOM 0 H GLU A 95 20.485 -4.939 -0.968 1.00 0.00 H new ATOM 0 HA GLU A 95 18.280 -3.506 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 95 20.925 -2.997 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.116 -2.113 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.620 -1.246 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 95 20.060 -1.658 1.019 1.00 0.00 H new ATOM 1519 N ASP A 96 17.556 -2.099 -2.362 1.00 0.00 N ATOM 1520 CA ASP A 96 16.675 -1.735 -3.467 1.00 0.00 C ATOM 1521 C ASP A 96 15.288 -2.337 -3.272 1.00 0.00 C ATOM 1522 O ASP A 96 15.040 -3.485 -3.642 1.00 0.00 O ATOM 1523 CB ASP A 96 17.269 -2.192 -4.802 1.00 0.00 C ATOM 1524 CG ASP A 96 17.335 -1.069 -5.817 1.00 0.00 C ATOM 1525 OD1 ASP A 96 16.267 -0.535 -6.183 1.00 0.00 O ATOM 1526 OD2 ASP A 96 18.456 -0.721 -6.245 1.00 0.00 O ATOM 0 H ASP A 96 17.818 -1.319 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 96 16.581 -0.649 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 96 18.271 -2.587 -4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.668 -3.007 -5.204 1.00 0.00 H new ATOM 1531 N THR A 97 14.390 -1.553 -2.686 1.00 0.00 N ATOM 1532 CA THR A 97 13.024 -2.001 -2.433 1.00 0.00 C ATOM 1533 C THR A 97 12.333 -2.416 -3.728 1.00 0.00 C ATOM 1534 O THR A 97 11.489 -3.313 -3.733 1.00 0.00 O ATOM 1535 CB THR A 97 12.227 -0.889 -1.754 1.00 0.00 C ATOM 1536 OG1 THR A 97 12.083 0.222 -2.619 1.00 0.00 O ATOM 1537 CG2 THR A 97 12.863 -0.395 -0.474 1.00 0.00 C ATOM 0 H THR A 97 14.584 -0.601 -2.376 1.00 0.00 H new ATOM 0 HA THR A 97 13.068 -2.869 -1.775 1.00 0.00 H new ATOM 0 HB THR A 97 11.260 -1.330 -1.513 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.184 1.051 -2.106 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.247 0.394 -0.042 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.944 -1.220 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.857 -0.002 -0.689 1.00 0.00 H new ATOM 1545 N GLY A 98 12.692 -1.753 -4.822 1.00 0.00 N ATOM 1546 CA GLY A 98 12.092 -2.064 -6.105 1.00 0.00 C ATOM 1547 C GLY A 98 11.020 -1.067 -6.496 1.00 0.00 C ATOM 1548 O GLY A 98 10.841 -0.766 -7.676 1.00 0.00 O ATOM 0 H GLY A 98 13.387 -1.007 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.867 -2.080 -6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.659 -3.064 -6.068 1.00 0.00 H new ATOM 1552 N ILE A 99 10.307 -0.551 -5.500 1.00 0.00 N ATOM 1553 CA ILE A 99 9.249 0.425 -5.741 1.00 0.00 C ATOM 1554 C ILE A 99 9.816 1.736 -6.252 1.00 0.00 C ATOM 1555 O ILE A 99 10.844 2.209 -5.768 1.00 0.00 O ATOM 1556 CB ILE A 99 8.457 0.749 -4.463 1.00 0.00 C ATOM 1557 CG1 ILE A 99 9.420 1.185 -3.348 1.00 0.00 C ATOM 1558 CG2 ILE A 99 7.598 -0.430 -4.038 1.00 0.00 C ATOM 1559 CD1 ILE A 99 9.402 0.295 -2.125 1.00 0.00 C ATOM 0 H ILE A 99 10.442 -0.792 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 99 8.593 -0.032 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 99 7.778 1.577 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.433 1.211 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.171 2.202 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.049 -0.173 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.893 -0.672 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.235 -1.293 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.110 0.675 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.400 0.287 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.683 -0.719 -2.409 1.00 0.00 H new ATOM 1571 N LYS A 100 9.122 2.340 -7.200 1.00 0.00 N ATOM 1572 CA LYS A 100 9.549 3.625 -7.732 1.00 0.00 C ATOM 1573 C LYS A 100 9.550 4.656 -6.606 1.00 0.00 C ATOM 1574 O LYS A 100 10.489 5.439 -6.461 1.00 0.00 O ATOM 1575 CB LYS A 100 8.626 4.077 -8.864 1.00 0.00 C ATOM 1576 CG LYS A 100 9.313 4.954 -9.898 1.00 0.00 C ATOM 1577 CD LYS A 100 8.305 5.729 -10.729 1.00 0.00 C ATOM 1578 CE LYS A 100 8.984 6.510 -11.842 1.00 0.00 C ATOM 1579 NZ LYS A 100 9.736 7.684 -11.319 1.00 0.00 N ATOM 0 H LYS A 100 8.268 1.967 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 100 10.555 3.527 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.217 3.197 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.784 4.623 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.985 5.651 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.926 4.334 -10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.578 5.039 -11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.753 6.415 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.666 5.853 -12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.234 6.849 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.184 8.190 -12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.081 8.324 -10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.469 7.360 -10.656 1.00 0.00 H new ATOM 1593 N ASN A 101 8.491 4.625 -5.796 1.00 0.00 N ATOM 1594 CA ASN A 101 8.361 5.531 -4.660 1.00 0.00 C ATOM 1595 C ASN A 101 7.477 4.916 -3.572 1.00 0.00 C ATOM 1596 O ASN A 101 6.331 4.546 -3.831 1.00 0.00 O ATOM 1597 CB ASN A 101 7.770 6.868 -5.119 1.00 0.00 C ATOM 1598 CG ASN A 101 8.788 7.990 -5.087 1.00 0.00 C ATOM 1599 OD1 ASN A 101 9.711 8.030 -5.900 1.00 0.00 O ATOM 1600 ND2 ASN A 101 8.622 8.913 -4.146 1.00 0.00 N ATOM 0 H ASN A 101 7.710 3.979 -5.908 1.00 0.00 H new ATOM 0 HA ASN A 101 9.353 5.701 -4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.382 6.762 -6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.926 7.128 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 101 9.274 9.694 -4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.842 8.840 -3.492 1.00 0.00 H new ATOM 1607 N ILE A 102 8.010 4.810 -2.354 1.00 0.00 N ATOM 1608 CA ILE A 102 7.259 4.243 -1.237 1.00 0.00 C ATOM 1609 C ILE A 102 6.849 5.320 -0.223 1.00 0.00 C ATOM 1610 O ILE A 102 7.654 6.162 0.171 1.00 0.00 O ATOM 1611 CB ILE A 102 8.057 3.121 -0.529 1.00 0.00 C ATOM 1612 CG1 ILE A 102 7.097 2.106 0.088 1.00 0.00 C ATOM 1613 CG2 ILE A 102 8.996 3.684 0.529 1.00 0.00 C ATOM 1614 CD1 ILE A 102 6.264 1.369 -0.937 1.00 0.00 C ATOM 0 H ILE A 102 8.956 5.109 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 102 6.352 3.809 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 102 8.672 2.620 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.669 1.383 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.433 2.620 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.539 2.868 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.705 4.367 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.417 4.221 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.604 0.664 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.666 2.084 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.920 0.827 -1.618 1.00 0.00 H new ATOM 1626 N MET A 103 5.585 5.286 0.186 1.00 0.00 N ATOM 1627 CA MET A 103 5.067 6.256 1.142 1.00 0.00 C ATOM 1628 C MET A 103 4.094 5.601 2.120 1.00 0.00 C ATOM 1629 O MET A 103 3.676 4.461 1.927 1.00 0.00 O ATOM 1630 CB MET A 103 4.368 7.415 0.414 1.00 0.00 C ATOM 1631 CG MET A 103 4.646 7.466 -1.082 1.00 0.00 C ATOM 1632 SD MET A 103 3.907 8.904 -1.878 1.00 0.00 S ATOM 1633 CE MET A 103 5.298 10.031 -1.898 1.00 0.00 C ATOM 0 H MET A 103 4.902 4.598 -0.130 1.00 0.00 H new ATOM 0 HA MET A 103 5.914 6.648 1.705 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.292 7.332 0.570 1.00 0.00 H new ATOM 0 HB3 MET A 103 4.684 8.356 0.864 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.723 7.478 -1.247 1.00 0.00 H new ATOM 0 HG3 MET A 103 4.262 6.559 -1.550 1.00 0.00 H new ATOM 0 HE1 MET A 103 4.948 11.044 -1.699 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.015 9.737 -1.132 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.778 9.999 -2.876 1.00 0.00 H new ATOM 1643 N ILE A 104 3.720 6.341 3.159 1.00 0.00 N ATOM 1644 CA ILE A 104 2.771 5.843 4.148 1.00 0.00 C ATOM 1645 C ILE A 104 1.614 6.834 4.296 1.00 0.00 C ATOM 1646 O ILE A 104 1.814 7.997 4.634 1.00 0.00 O ATOM 1647 CB ILE A 104 3.447 5.557 5.528 1.00 0.00 C ATOM 1648 CG1 ILE A 104 2.474 5.792 6.693 1.00 0.00 C ATOM 1649 CG2 ILE A 104 4.720 6.379 5.725 1.00 0.00 C ATOM 1650 CD1 ILE A 104 1.308 4.828 6.714 1.00 0.00 C ATOM 0 H ILE A 104 4.059 7.286 3.338 1.00 0.00 H new ATOM 0 HA ILE A 104 2.383 4.889 3.791 1.00 0.00 H new ATOM 0 HB ILE A 104 3.728 4.504 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.020 5.709 7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.091 6.811 6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.156 6.148 6.697 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.435 6.136 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.478 7.441 5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.664 5.055 7.564 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.738 4.926 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.681 3.808 6.803 1.00 0.00 H new ATOM 1662 N LEU A 105 0.399 6.364 4.036 1.00 0.00 N ATOM 1663 CA LEU A 105 -0.782 7.217 4.135 1.00 0.00 C ATOM 1664 C LEU A 105 -1.565 6.927 5.404 1.00 0.00 C ATOM 1665 O LEU A 105 -1.754 5.773 5.787 1.00 0.00 O ATOM 1666 CB LEU A 105 -1.668 7.084 2.891 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.312 5.718 2.652 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -3.309 5.817 1.513 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -1.260 4.667 2.334 1.00 0.00 C ATOM 0 H LEU A 105 0.205 5.402 3.756 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.441 8.251 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.462 7.828 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.068 7.335 2.017 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.828 5.415 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.767 4.842 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.082 6.542 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.795 6.138 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.745 3.705 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.715 4.958 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.565 4.584 3.169 1.00 0.00 H new ATOM 1681 N GLU A 106 -1.989 7.998 6.065 1.00 0.00 N ATOM 1682 CA GLU A 106 -2.727 7.895 7.316 1.00 0.00 C ATOM 1683 C GLU A 106 -4.212 8.192 7.117 1.00 0.00 C ATOM 1684 O GLU A 106 -4.921 8.511 8.072 1.00 0.00 O ATOM 1685 CB GLU A 106 -2.130 8.858 8.349 1.00 0.00 C ATOM 1686 CG GLU A 106 -0.634 9.110 8.165 1.00 0.00 C ATOM 1687 CD GLU A 106 0.222 8.105 8.910 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -0.060 6.893 8.804 1.00 0.00 O ATOM 1689 OE2 GLU A 106 1.175 8.529 9.595 1.00 0.00 O ATOM 0 H GLU A 106 -1.832 8.956 5.751 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.640 6.871 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.659 9.809 8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.301 8.456 9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.391 9.072 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.393 10.115 8.512 1.00 0.00 H new ATOM 1696 N ARG A 107 -4.679 8.078 5.877 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.081 8.327 5.563 1.00 0.00 C ATOM 1698 C ARG A 107 -6.445 7.736 4.212 1.00 0.00 C ATOM 1699 O ARG A 107 -7.290 8.266 3.493 1.00 0.00 O ATOM 1700 CB ARG A 107 -6.382 9.827 5.583 1.00 0.00 C ATOM 1701 CG ARG A 107 -7.862 10.149 5.698 1.00 0.00 C ATOM 1702 CD ARG A 107 -8.357 9.987 7.126 1.00 0.00 C ATOM 1703 NE ARG A 107 -7.960 11.110 7.972 1.00 0.00 N ATOM 1704 CZ ARG A 107 -8.464 11.344 9.181 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -9.386 10.535 9.690 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -8.046 12.388 9.882 1.00 0.00 N ATOM 0 H ARG A 107 -4.107 7.815 5.074 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.688 7.841 6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.853 10.284 6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.990 10.280 4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.040 11.171 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.431 9.494 5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.443 9.899 7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.963 9.061 7.544 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.254 11.753 7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.711 9.730 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.770 10.718 10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.338 13.012 9.495 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.432 12.568 10.809 1.00 0.00 H new ATOM 1720 N GLY A 108 -5.806 6.619 3.885 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.068 5.932 2.632 1.00 0.00 C ATOM 1722 C GLY A 108 -7.552 5.696 2.358 1.00 0.00 C ATOM 1723 O GLY A 108 -7.912 5.234 1.277 1.00 0.00 O ATOM 0 H GLY A 108 -5.103 6.172 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.645 6.514 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -5.552 4.972 2.640 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.406 5.985 3.347 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.854 5.784 3.224 1.00 0.00 C ATOM 1729 C PHE A 109 -10.211 4.309 3.403 1.00 0.00 C ATOM 1730 O PHE A 109 -11.383 3.936 3.379 1.00 0.00 O ATOM 1731 CB PHE A 109 -10.384 6.305 1.881 1.00 0.00 C ATOM 1732 CG PHE A 109 -10.933 7.703 1.952 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -10.367 8.644 2.800 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -12.012 8.078 1.168 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -10.868 9.930 2.864 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -12.518 9.362 1.228 1.00 0.00 C ATOM 1737 CZ PHE A 109 -11.945 10.290 2.078 1.00 0.00 C ATOM 0 H PHE A 109 -8.115 6.362 4.249 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.334 6.359 4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.579 6.277 1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -11.165 5.634 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.525 8.368 3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -12.463 7.358 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -10.418 10.653 3.528 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -13.360 9.641 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 109 -12.339 11.294 2.127 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.185 3.483 3.607 1.00 0.00 N ATOM 1748 CA ASN A 110 -9.376 2.060 3.812 1.00 0.00 C ATOM 1749 C ASN A 110 -10.111 1.815 5.114 1.00 0.00 C ATOM 1750 O ASN A 110 -10.839 0.852 5.244 1.00 0.00 O ATOM 1751 CB ASN A 110 -8.045 1.317 3.796 1.00 0.00 C ATOM 1752 CG ASN A 110 -8.127 0.000 3.051 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -8.406 -0.032 1.852 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -7.883 -1.097 3.759 1.00 0.00 N ATOM 0 H ASN A 110 -8.211 3.784 3.634 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.980 1.674 2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.286 1.947 3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -7.723 1.132 4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -7.923 -2.013 3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -7.656 -1.024 4.751 1.00 0.00 H new ATOM 1761 N GLY A 111 -9.935 2.693 6.086 1.00 0.00 N ATOM 1762 CA GLY A 111 -10.635 2.511 7.333 1.00 0.00 C ATOM 1763 C GLY A 111 -12.123 2.449 7.081 1.00 0.00 C ATOM 1764 O GLY A 111 -12.815 1.596 7.628 1.00 0.00 O ATOM 0 H GLY A 111 -9.331 3.514 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -10.301 1.594 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.406 3.332 8.012 1.00 0.00 H new ATOM 1768 N TRP A 112 -12.607 3.342 6.217 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.017 3.371 5.855 1.00 0.00 C ATOM 1770 C TRP A 112 -14.407 2.130 5.058 1.00 0.00 C ATOM 1771 O TRP A 112 -15.371 1.444 5.400 1.00 0.00 O ATOM 1772 CB TRP A 112 -14.320 4.626 5.024 1.00 0.00 C ATOM 1773 CG TRP A 112 -15.760 4.756 4.609 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -16.604 3.751 4.223 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -16.523 5.967 4.525 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -17.838 4.255 3.925 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -17.818 5.615 4.098 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -16.239 7.313 4.775 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -18.825 6.560 3.915 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -17.240 8.250 4.592 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -18.518 7.870 4.166 1.00 0.00 C ATOM 0 H TRP A 112 -12.040 4.054 5.757 1.00 0.00 H new ATOM 0 HA TRP A 112 -14.599 3.389 6.776 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -14.038 5.507 5.601 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.695 4.617 4.131 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -16.333 2.707 4.162 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -18.644 3.708 3.623 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -15.256 7.616 5.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -19.812 6.270 3.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -17.032 9.293 4.781 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -19.278 8.626 4.033 1.00 0.00 H new ATOM 1792 N GLU A 113 -13.669 1.850 3.984 1.00 0.00 N ATOM 1793 CA GLU A 113 -13.983 0.694 3.137 1.00 0.00 C ATOM 1794 C GLU A 113 -13.735 -0.625 3.864 1.00 0.00 C ATOM 1795 O GLU A 113 -14.598 -1.499 3.913 1.00 0.00 O ATOM 1796 CB GLU A 113 -13.182 0.727 1.825 1.00 0.00 C ATOM 1797 CG GLU A 113 -12.606 2.089 1.453 1.00 0.00 C ATOM 1798 CD GLU A 113 -13.623 3.215 1.540 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -14.784 2.945 1.912 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -13.255 4.369 1.235 1.00 0.00 O ATOM 0 H GLU A 113 -12.862 2.396 3.681 1.00 0.00 H new ATOM 0 HA GLU A 113 -15.045 0.759 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.363 0.011 1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.828 0.389 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.768 2.314 2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.210 2.044 0.438 1.00 0.00 H new ATOM 1807 N ALA A 114 -12.544 -0.752 4.415 1.00 0.00 N ATOM 1808 CA ALA A 114 -12.138 -1.949 5.138 1.00 0.00 C ATOM 1809 C ALA A 114 -13.058 -2.241 6.309 1.00 0.00 C ATOM 1810 O ALA A 114 -13.535 -3.366 6.464 1.00 0.00 O ATOM 1811 CB ALA A 114 -10.721 -1.786 5.652 1.00 0.00 C ATOM 0 H ALA A 114 -11.826 -0.028 4.376 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.194 -2.785 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.424 -2.685 6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.045 -1.627 4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.674 -0.928 6.323 1.00 0.00 H new ATOM 1817 N SER A 115 -13.305 -1.236 7.144 1.00 0.00 N ATOM 1818 CA SER A 115 -14.172 -1.448 8.300 1.00 0.00 C ATOM 1819 C SER A 115 -14.499 -0.150 9.024 1.00 0.00 C ATOM 1820 O SER A 115 -14.321 -0.041 10.238 1.00 0.00 O ATOM 1821 CB SER A 115 -13.520 -2.436 9.269 1.00 0.00 C ATOM 1822 OG SER A 115 -14.404 -2.781 10.320 1.00 0.00 O ATOM 0 H SER A 115 -12.930 -0.292 7.048 1.00 0.00 H new ATOM 0 HA SER A 115 -15.111 -1.859 7.929 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.223 -3.336 8.730 1.00 0.00 H new ATOM 0 HB3 SER A 115 -12.612 -1.998 9.683 1.00 0.00 H new ATOM 0 HG SER A 115 -14.687 -1.969 10.790 1.00 0.00 H new ATOM 1828 N GLY A 116 -14.987 0.828 8.278 1.00 0.00 N ATOM 1829 CA GLY A 116 -15.338 2.101 8.879 1.00 0.00 C ATOM 1830 C GLY A 116 -16.802 2.458 8.695 1.00 0.00 C ATOM 1831 O GLY A 116 -17.467 2.871 9.647 1.00 0.00 O ATOM 0 H GLY A 116 -15.146 0.766 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -15.108 2.070 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.720 2.886 8.442 1.00 0.00 H new ATOM 1835 N LYS A 117 -17.307 2.309 7.473 1.00 0.00 N ATOM 1836 CA LYS A 117 -18.705 2.633 7.178 1.00 0.00 C ATOM 1837 C LYS A 117 -19.207 1.823 5.976 1.00 0.00 C ATOM 1838 O LYS A 117 -18.520 0.910 5.518 1.00 0.00 O ATOM 1839 CB LYS A 117 -18.860 4.140 6.919 1.00 0.00 C ATOM 1840 CG LYS A 117 -17.714 4.992 7.445 1.00 0.00 C ATOM 1841 CD LYS A 117 -18.034 6.474 7.355 1.00 0.00 C ATOM 1842 CE LYS A 117 -16.919 7.322 7.944 1.00 0.00 C ATOM 1843 NZ LYS A 117 -16.447 6.788 9.252 1.00 0.00 N ATOM 0 H LYS A 117 -16.774 1.968 6.673 1.00 0.00 H new ATOM 0 HA LYS A 117 -19.312 2.366 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -18.954 4.303 5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -19.789 4.481 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -17.508 4.726 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.810 4.779 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -18.191 6.751 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.966 6.679 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.084 7.360 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.272 8.345 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -15.909 7.523 9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.266 6.505 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -15.836 5.962 9.090 1.00 0.00 H new ATOM 1857 N PRO A 118 -20.420 2.127 5.450 1.00 0.00 N ATOM 1858 CA PRO A 118 -20.993 1.402 4.308 1.00 0.00 C ATOM 1859 C PRO A 118 -19.962 1.035 3.244 1.00 0.00 C ATOM 1860 O PRO A 118 -19.004 1.770 3.005 1.00 0.00 O ATOM 1861 CB PRO A 118 -22.012 2.394 3.766 1.00 0.00 C ATOM 1862 CG PRO A 118 -22.519 3.079 4.985 1.00 0.00 C ATOM 1863 CD PRO A 118 -21.341 3.188 5.921 1.00 0.00 C ATOM 0 HA PRO A 118 -21.414 0.440 4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -21.555 3.099 3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -22.814 1.890 3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -22.917 4.064 4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -23.330 2.512 5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.877 4.173 5.869 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -21.637 3.030 6.958 1.00 0.00 H new ATOM 1871 N VAL A 119 -20.166 -0.124 2.627 1.00 0.00 N ATOM 1872 CA VAL A 119 -19.262 -0.631 1.600 1.00 0.00 C ATOM 1873 C VAL A 119 -20.045 -1.246 0.440 1.00 0.00 C ATOM 1874 O VAL A 119 -21.141 -1.766 0.645 1.00 0.00 O ATOM 1875 CB VAL A 119 -18.269 -1.661 2.179 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -16.846 -1.228 1.887 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -18.471 -1.833 3.679 1.00 0.00 C ATOM 0 H VAL A 119 -20.958 -0.736 2.823 1.00 0.00 H new ATOM 0 HA VAL A 119 -18.689 0.217 1.224 1.00 0.00 H new ATOM 0 HB VAL A 119 -18.455 -2.623 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -16.151 -1.960 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -16.701 -1.157 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -16.661 -0.255 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -17.758 -2.564 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -18.314 -0.877 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -19.486 -2.181 3.872 1.00 0.00 H new ATOM 1887 N CYS A 120 -19.484 -1.167 -0.778 1.00 0.00 N ATOM 1888 CA CYS A 120 -20.138 -1.701 -1.994 1.00 0.00 C ATOM 1889 C CYS A 120 -21.594 -2.133 -1.773 1.00 0.00 C ATOM 1890 O CYS A 120 -22.525 -1.390 -2.081 1.00 0.00 O ATOM 1891 CB CYS A 120 -19.379 -2.914 -2.520 1.00 0.00 C ATOM 1892 SG CYS A 120 -18.427 -2.651 -4.032 1.00 0.00 S ATOM 0 H CYS A 120 -18.575 -0.737 -0.951 1.00 0.00 H new ATOM 0 HA CYS A 120 -20.128 -0.877 -2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -18.700 -3.260 -1.741 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -20.094 -3.717 -2.698 1.00 0.00 H new ATOM 0 HG CYS A 120 -18.722 -3.575 -4.897 1.00 0.00 H new ATOM 1897 N ARG A 121 -21.743 -3.373 -1.275 1.00 0.00 N ATOM 1898 CA ARG A 121 -23.031 -4.031 -1.023 1.00 0.00 C ATOM 1899 C ARG A 121 -23.106 -5.332 -1.835 1.00 0.00 C ATOM 1900 O ARG A 121 -24.158 -5.969 -1.908 1.00 0.00 O ATOM 1901 CB ARG A 121 -24.235 -3.135 -1.358 1.00 0.00 C ATOM 1902 CG ARG A 121 -24.514 -3.000 -2.849 1.00 0.00 C ATOM 1903 CD ARG A 121 -25.470 -1.854 -3.135 1.00 0.00 C ATOM 1904 NE ARG A 121 -26.827 -2.327 -3.397 1.00 0.00 N ATOM 1905 CZ ARG A 121 -27.166 -3.060 -4.454 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -26.248 -3.415 -5.347 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -28.424 -3.443 -4.619 1.00 0.00 N ATOM 0 H ARG A 121 -20.945 -3.960 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 121 -23.084 -4.244 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -25.122 -3.538 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -24.063 -2.143 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -23.578 -2.836 -3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -24.937 -3.931 -3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -25.482 -1.171 -2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -25.111 -1.288 -3.995 1.00 0.00 H new ATOM 0 HE ARG A 121 -27.558 -2.081 -2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.278 -3.125 -5.224 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.514 -3.977 -6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -29.132 -3.176 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -28.684 -4.005 -5.430 1.00 0.00 H new ATOM 1921 N CYS A 122 -21.977 -5.719 -2.448 1.00 0.00 N ATOM 1922 CA CYS A 122 -21.902 -6.937 -3.253 1.00 0.00 C ATOM 1923 C CYS A 122 -21.011 -7.975 -2.591 1.00 0.00 C ATOM 1924 O CYS A 122 -20.644 -7.846 -1.424 1.00 0.00 O ATOM 1925 CB CYS A 122 -21.360 -6.636 -4.661 1.00 0.00 C ATOM 1926 SG CYS A 122 -20.026 -5.418 -4.723 1.00 0.00 S ATOM 0 H CYS A 122 -21.101 -5.199 -2.398 1.00 0.00 H new ATOM 0 HA CYS A 122 -22.915 -7.332 -3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -21.003 -7.566 -5.103 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -22.183 -6.283 -5.283 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.884 -6.017 -4.559 1.00 0.00 H new ATOM 1931 N ALA A 123 -20.664 -9.003 -3.355 1.00 0.00 N ATOM 1932 CA ALA A 123 -19.806 -10.069 -2.860 1.00 0.00 C ATOM 1933 C ALA A 123 -19.301 -10.950 -4.000 1.00 0.00 C ATOM 1934 O ALA A 123 -19.452 -12.171 -3.964 1.00 0.00 O ATOM 1935 CB ALA A 123 -20.549 -10.907 -1.829 1.00 0.00 C ATOM 0 H ALA A 123 -20.965 -9.120 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 123 -18.939 -9.610 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -19.896 -11.701 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.849 -10.274 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -21.435 -11.347 -2.287 1.00 0.00 H new ATOM 1941 N GLU A 124 -18.697 -10.329 -5.014 1.00 0.00 N ATOM 1942 CA GLU A 124 -18.174 -11.083 -6.154 1.00 0.00 C ATOM 1943 C GLU A 124 -17.399 -10.195 -7.127 1.00 0.00 C ATOM 1944 O GLU A 124 -17.120 -9.030 -6.845 1.00 0.00 O ATOM 1945 CB GLU A 124 -19.309 -11.807 -6.892 1.00 0.00 C ATOM 1946 CG GLU A 124 -20.690 -11.223 -6.635 1.00 0.00 C ATOM 1947 CD GLU A 124 -21.689 -11.599 -7.711 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -21.830 -12.808 -7.993 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -22.329 -10.685 -8.273 1.00 0.00 O ATOM 0 H GLU A 124 -18.559 -9.320 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 124 -17.478 -11.821 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -19.108 -11.778 -7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -19.309 -12.856 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -21.054 -11.571 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -20.616 -10.137 -6.576 1.00 0.00 H new ATOM 1956 N VAL A 125 -17.044 -10.779 -8.271 1.00 0.00 N ATOM 1957 CA VAL A 125 -16.283 -10.085 -9.311 1.00 0.00 C ATOM 1958 C VAL A 125 -16.769 -8.652 -9.572 1.00 0.00 C ATOM 1959 O VAL A 125 -15.946 -7.750 -9.722 1.00 0.00 O ATOM 1960 CB VAL A 125 -16.273 -10.870 -10.643 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -15.215 -11.962 -10.611 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -17.642 -11.462 -10.957 1.00 0.00 C ATOM 0 H VAL A 125 -17.275 -11.745 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.268 -10.026 -8.918 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.027 -10.166 -11.438 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -15.223 -12.504 -11.557 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.234 -11.513 -10.458 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -15.429 -12.653 -9.795 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -17.595 -12.006 -11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -17.935 -12.144 -10.159 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -18.376 -10.660 -11.037 1.00 0.00 H new ATOM 1972 N PRO A 126 -18.096 -8.401 -9.648 1.00 0.00 N ATOM 1973 CA PRO A 126 -18.627 -7.052 -9.908 1.00 0.00 C ATOM 1974 C PRO A 126 -18.101 -5.978 -8.948 1.00 0.00 C ATOM 1975 O PRO A 126 -18.497 -4.817 -9.048 1.00 0.00 O ATOM 1976 CB PRO A 126 -20.148 -7.213 -9.740 1.00 0.00 C ATOM 1977 CG PRO A 126 -20.335 -8.529 -9.065 1.00 0.00 C ATOM 1978 CD PRO A 126 -19.187 -9.381 -9.514 1.00 0.00 C ATOM 0 HA PRO A 126 -18.319 -6.706 -10.894 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -20.565 -6.402 -9.143 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -20.654 -7.191 -10.705 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -20.338 -8.416 -7.981 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.288 -8.979 -9.342 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -18.949 -10.157 -8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -19.399 -9.883 -10.458 1.00 0.00 H new ATOM 1986 N CYS A 127 -17.225 -6.357 -8.015 1.00 0.00 N ATOM 1987 CA CYS A 127 -16.675 -5.404 -7.055 1.00 0.00 C ATOM 1988 C CYS A 127 -15.959 -4.239 -7.761 1.00 0.00 C ATOM 1989 O CYS A 127 -16.406 -3.793 -8.816 1.00 0.00 O ATOM 1990 CB CYS A 127 -15.756 -6.125 -6.067 1.00 0.00 C ATOM 1991 SG CYS A 127 -16.162 -5.786 -4.339 1.00 0.00 S ATOM 0 H CYS A 127 -16.884 -7.312 -7.906 1.00 0.00 H new ATOM 0 HA CYS A 127 -17.499 -4.965 -6.493 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -15.815 -7.199 -6.243 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -14.725 -5.827 -6.256 1.00 0.00 H new ATOM 0 HG CYS A 127 -16.970 -4.769 -4.274 1.00 0.00 H new ATOM 1996 N LYS A 128 -14.874 -3.708 -7.177 1.00 0.00 N ATOM 1997 CA LYS A 128 -14.190 -2.568 -7.790 1.00 0.00 C ATOM 1998 C LYS A 128 -12.691 -2.740 -7.957 1.00 0.00 C ATOM 1999 O LYS A 128 -12.160 -2.492 -9.040 1.00 0.00 O ATOM 2000 CB LYS A 128 -14.392 -1.292 -6.955 1.00 0.00 C ATOM 2001 CG LYS A 128 -15.757 -1.183 -6.314 1.00 0.00 C ATOM 2002 CD LYS A 128 -15.638 -1.273 -4.806 1.00 0.00 C ATOM 2003 CE LYS A 128 -15.351 -2.696 -4.352 1.00 0.00 C ATOM 2004 NZ LYS A 128 -13.899 -2.938 -4.127 1.00 0.00 N ATOM 0 H LYS A 128 -14.463 -4.041 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.642 -2.495 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -13.632 -1.258 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -14.232 -0.424 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.223 -0.238 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -16.404 -1.979 -6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -14.841 -0.613 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.562 -0.923 -4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -15.897 -2.898 -3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -15.721 -3.395 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -13.587 -3.743 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -13.360 -2.090 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -13.734 -3.150 -3.122 1.00 0.00 H new ATOM 2018 N GLY A 129 -11.985 -2.996 -6.856 1.00 0.00 N ATOM 2019 CA GLY A 129 -10.545 -2.978 -6.943 1.00 0.00 C ATOM 2020 C GLY A 129 -10.213 -1.522 -7.136 1.00 0.00 C ATOM 2021 O GLY A 129 -9.203 -1.130 -7.724 1.00 0.00 O ATOM 0 H GLY A 129 -12.374 -3.208 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -10.085 -3.376 -6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -10.187 -3.583 -7.776 1.00 0.00 H new