USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 926 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 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 176:sc= 0 (180deg=-0.0225) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -92:sc= 1.18 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0133 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000122) USER MOD Single : A 23 ASN : amide:sc= 0.653 K(o=0.65,f=-0.45) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0.274 (180deg=0.274) USER MOD Single : A 39 SER OG : rot -20:sc= -0.0493 USER MOD Single : A 41 MET CE :methyl -169:sc= 0 (180deg=-0.171) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 75:sc= 0.289 USER MOD Single : A 57 SER OG : rot 130:sc= 0 USER MOD Single : A 60 CYS SG : rot -120:sc= -0.406 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -153:sc= 2.43 (180deg=1.88) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.265 USER MOD Single : A 81 HIS : no HE2:sc= -0.0901 X(o=-0.09,f=-0.54) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 1.18 (180deg=1.06) USER MOD Single : A 104 THR OG1 : rot 152:sc= 1.22 USER MOD Single : A 105 GLN : amide:sc= 1.46 K(o=1.5,f=-6.3!) USER MOD Single : A 107 ASN : amide:sc= 0.11 K(o=0.11,f=-2.6!) USER MOD Single : A 109 MET CE :methyl -173:sc= -0.121 (180deg=-0.24) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 170:sc= 0 (180deg=-0.165) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.723 12.549 -9.669 1.00 0.00 N ATOM 2 CA GLY A 1 -20.253 12.481 -9.537 1.00 0.00 C ATOM 3 C GLY A 1 -19.849 11.965 -8.166 1.00 0.00 C ATOM 4 O GLY A 1 -20.011 12.672 -7.169 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.971 12.904 -10.614 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.127 11.600 -9.539 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.107 13.191 -8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.845 11.828 -10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.824 13.470 -9.697 1.00 0.00 H new ATOM 10 N SER A 2 -19.342 10.730 -8.096 1.00 0.00 N ATOM 11 CA SER A 2 -18.874 10.079 -6.857 1.00 0.00 C ATOM 12 C SER A 2 -17.621 10.750 -6.258 1.00 0.00 C ATOM 13 O SER A 2 -16.890 11.463 -6.952 1.00 0.00 O ATOM 14 CB SER A 2 -18.574 8.601 -7.143 1.00 0.00 C ATOM 15 OG SER A 2 -19.714 7.950 -7.690 1.00 0.00 O ATOM 0 H SER A 2 -19.241 10.135 -8.919 1.00 0.00 H new ATOM 0 HA SER A 2 -19.672 10.179 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.737 8.523 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.272 8.102 -6.222 1.00 0.00 H new ATOM 0 HG SER A 2 -19.501 7.010 -7.866 1.00 0.00 H new ATOM 21 N MET A 3 -17.369 10.509 -4.964 1.00 0.00 N ATOM 22 CA MET A 3 -16.255 11.101 -4.197 1.00 0.00 C ATOM 23 C MET A 3 -15.426 10.080 -3.390 1.00 0.00 C ATOM 24 O MET A 3 -14.312 10.388 -2.963 1.00 0.00 O ATOM 25 CB MET A 3 -16.840 12.207 -3.297 1.00 0.00 C ATOM 26 CG MET A 3 -15.807 13.140 -2.648 1.00 0.00 C ATOM 27 SD MET A 3 -14.647 13.989 -3.764 1.00 0.00 S ATOM 28 CE MET A 3 -15.788 14.875 -4.862 1.00 0.00 C ATOM 0 H MET A 3 -17.947 9.882 -4.404 1.00 0.00 H new ATOM 0 HA MET A 3 -15.537 11.516 -4.904 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.527 12.810 -3.891 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.428 11.738 -2.508 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.345 13.898 -2.078 1.00 0.00 H new ATOM 0 HG3 MET A 3 -15.225 12.557 -1.934 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.219 15.496 -5.554 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.383 14.156 -5.425 1.00 0.00 H new ATOM 0 HE3 MET A 3 -16.449 15.506 -4.268 1.00 0.00 H new ATOM 38 N HIS A 4 -15.928 8.856 -3.192 1.00 0.00 N ATOM 39 CA HIS A 4 -15.288 7.812 -2.380 1.00 0.00 C ATOM 40 C HIS A 4 -13.879 7.443 -2.880 1.00 0.00 C ATOM 41 O HIS A 4 -12.945 7.323 -2.086 1.00 0.00 O ATOM 42 CB HIS A 4 -16.212 6.585 -2.348 1.00 0.00 C ATOM 43 CG HIS A 4 -15.752 5.506 -1.398 1.00 0.00 C ATOM 44 ND1 HIS A 4 -14.991 4.403 -1.722 1.00 0.00 N ATOM 45 CD2 HIS A 4 -16.025 5.443 -0.058 1.00 0.00 C ATOM 46 CE1 HIS A 4 -14.804 3.687 -0.599 1.00 0.00 C ATOM 47 NE2 HIS A 4 -15.419 4.281 0.440 1.00 0.00 N ATOM 0 H HIS A 4 -16.812 8.555 -3.602 1.00 0.00 H new ATOM 0 HA HIS A 4 -15.144 8.198 -1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.215 6.903 -2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.282 6.167 -3.352 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -16.601 6.157 0.511 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.241 2.767 -0.540 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -15.440 3.950 1.404 1.00 0.00 H new ATOM 55 N GLU A 5 -13.696 7.315 -4.196 1.00 0.00 N ATOM 56 CA GLU A 5 -12.409 7.023 -4.843 1.00 0.00 C ATOM 57 C GLU A 5 -11.375 8.163 -4.748 1.00 0.00 C ATOM 58 O GLU A 5 -10.183 7.926 -4.945 1.00 0.00 O ATOM 59 CB GLU A 5 -12.625 6.614 -6.313 1.00 0.00 C ATOM 60 CG GLU A 5 -13.293 7.668 -7.216 1.00 0.00 C ATOM 61 CD GLU A 5 -14.829 7.546 -7.212 1.00 0.00 C ATOM 62 OE1 GLU A 5 -15.475 8.017 -6.246 1.00 0.00 O ATOM 63 OE2 GLU A 5 -15.394 6.962 -8.168 1.00 0.00 O ATOM 0 H GLU A 5 -14.461 7.414 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.982 6.191 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.657 6.356 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.233 5.710 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.008 8.665 -6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.924 7.557 -8.236 1.00 0.00 H new ATOM 70 N TYR A 6 -11.803 9.388 -4.418 1.00 0.00 N ATOM 71 CA TYR A 6 -10.931 10.559 -4.266 1.00 0.00 C ATOM 72 C TYR A 6 -10.504 10.824 -2.813 1.00 0.00 C ATOM 73 O TYR A 6 -9.673 11.704 -2.578 1.00 0.00 O ATOM 74 CB TYR A 6 -11.604 11.789 -4.892 1.00 0.00 C ATOM 75 CG TYR A 6 -11.914 11.665 -6.377 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.919 11.238 -7.280 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.188 12.018 -6.863 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.191 11.164 -8.659 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.471 11.935 -8.239 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.473 11.508 -9.143 1.00 0.00 C ATOM 81 OH TYR A 6 -12.751 11.442 -10.476 1.00 0.00 O ATOM 0 H TYR A 6 -12.786 9.597 -4.246 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.005 10.343 -4.799 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.533 11.988 -4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.958 12.654 -4.742 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.941 10.966 -6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.951 12.354 -6.177 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.421 10.845 -9.346 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.453 12.198 -8.604 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.680 11.713 -10.630 1.00 0.00 H new ATOM 91 N SER A 7 -11.001 10.044 -1.844 1.00 0.00 N ATOM 92 CA SER A 7 -10.563 10.090 -0.440 1.00 0.00 C ATOM 93 C SER A 7 -9.042 9.913 -0.309 1.00 0.00 C ATOM 94 O SER A 7 -8.362 10.784 0.234 1.00 0.00 O ATOM 95 CB SER A 7 -11.317 9.049 0.403 1.00 0.00 C ATOM 96 OG SER A 7 -11.106 7.727 -0.068 1.00 0.00 O ATOM 0 H SER A 7 -11.730 9.352 -2.015 1.00 0.00 H new ATOM 0 HA SER A 7 -10.805 11.080 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.992 9.120 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.384 9.273 0.387 1.00 0.00 H new ATOM 0 HG SER A 7 -11.809 7.492 -0.710 1.00 0.00 H new ATOM 102 N VAL A 8 -8.495 8.829 -0.875 1.00 0.00 N ATOM 103 CA VAL A 8 -7.051 8.550 -0.946 1.00 0.00 C ATOM 104 C VAL A 8 -6.274 9.689 -1.616 1.00 0.00 C ATOM 105 O VAL A 8 -5.267 10.144 -1.085 1.00 0.00 O ATOM 106 CB VAL A 8 -6.770 7.185 -1.609 1.00 0.00 C ATOM 107 CG1 VAL A 8 -7.182 7.077 -3.077 1.00 0.00 C ATOM 108 CG2 VAL A 8 -5.301 6.798 -1.448 1.00 0.00 C ATOM 0 H VAL A 8 -9.060 8.099 -1.309 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.686 8.490 0.079 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.410 6.482 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.943 6.081 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.254 7.251 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.643 7.822 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.125 5.833 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.672 7.554 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.056 6.731 -0.388 1.00 0.00 H new ATOM 118 N VAL A 9 -6.755 10.182 -2.758 1.00 0.00 N ATOM 119 CA VAL A 9 -6.117 11.202 -3.602 1.00 0.00 C ATOM 120 C VAL A 9 -5.973 12.539 -2.869 1.00 0.00 C ATOM 121 O VAL A 9 -4.867 13.064 -2.736 1.00 0.00 O ATOM 122 CB VAL A 9 -6.953 11.382 -4.878 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.271 12.317 -5.875 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.194 10.044 -5.595 1.00 0.00 C ATOM 0 H VAL A 9 -7.646 9.867 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.112 10.865 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.901 11.809 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.894 12.418 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.130 13.296 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.302 11.905 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.789 10.214 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.237 9.602 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.727 9.365 -4.929 1.00 0.00 H new ATOM 134 N SER A 10 -7.087 13.071 -2.356 1.00 0.00 N ATOM 135 CA SER A 10 -7.125 14.278 -1.522 1.00 0.00 C ATOM 136 C SER A 10 -6.223 14.138 -0.287 1.00 0.00 C ATOM 137 O SER A 10 -5.433 15.035 0.012 1.00 0.00 O ATOM 138 CB SER A 10 -8.576 14.553 -1.105 1.00 0.00 C ATOM 139 OG SER A 10 -8.681 15.756 -0.361 1.00 0.00 O ATOM 0 H SER A 10 -8.010 12.665 -2.513 1.00 0.00 H new ATOM 0 HA SER A 10 -6.745 15.118 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.206 14.616 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.949 13.721 -0.508 1.00 0.00 H new ATOM 0 HG SER A 10 -9.617 15.905 -0.111 1.00 0.00 H new ATOM 145 N SER A 11 -6.288 12.986 0.391 1.00 0.00 N ATOM 146 CA SER A 11 -5.475 12.688 1.584 1.00 0.00 C ATOM 147 C SER A 11 -3.969 12.694 1.279 1.00 0.00 C ATOM 148 O SER A 11 -3.186 13.334 1.984 1.00 0.00 O ATOM 149 CB SER A 11 -5.899 11.344 2.187 1.00 0.00 C ATOM 150 OG SER A 11 -5.209 11.101 3.403 1.00 0.00 O ATOM 0 H SER A 11 -6.912 12.224 0.127 1.00 0.00 H new ATOM 0 HA SER A 11 -5.655 13.481 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.974 11.343 2.366 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.693 10.541 1.479 1.00 0.00 H new ATOM 0 HG SER A 11 -5.493 10.240 3.774 1.00 0.00 H new ATOM 156 N LEU A 12 -3.563 12.038 0.187 1.00 0.00 N ATOM 157 CA LEU A 12 -2.192 11.975 -0.316 1.00 0.00 C ATOM 158 C LEU A 12 -1.635 13.386 -0.568 1.00 0.00 C ATOM 159 O LEU A 12 -0.606 13.749 0.000 1.00 0.00 O ATOM 160 CB LEU A 12 -2.196 11.063 -1.563 1.00 0.00 C ATOM 161 CG LEU A 12 -0.847 10.662 -2.183 1.00 0.00 C ATOM 162 CD1 LEU A 12 -0.169 11.806 -2.934 1.00 0.00 C ATOM 163 CD2 LEU A 12 0.089 10.056 -1.137 1.00 0.00 C ATOM 0 H LEU A 12 -4.214 11.512 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.514 11.541 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.726 10.147 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.781 11.561 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.070 9.897 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.778 11.459 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.816 12.144 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.016 12.632 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.033 9.783 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.274 10.785 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.372 9.167 -0.708 1.00 0.00 H new ATOM 175 N ILE A 13 -2.330 14.201 -1.368 1.00 0.00 N ATOM 176 CA ILE A 13 -1.927 15.584 -1.684 1.00 0.00 C ATOM 177 C ILE A 13 -1.849 16.459 -0.421 1.00 0.00 C ATOM 178 O ILE A 13 -0.889 17.212 -0.257 1.00 0.00 O ATOM 179 CB ILE A 13 -2.871 16.183 -2.749 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.686 15.432 -4.090 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.656 17.696 -2.941 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.876 15.610 -5.035 1.00 0.00 C ATOM 0 H ILE A 13 -3.199 13.920 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.920 15.561 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.894 16.055 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.781 15.790 -4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.541 14.370 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.344 18.068 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.841 18.212 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.630 17.880 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.692 15.062 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.779 15.226 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.006 16.668 -5.261 1.00 0.00 H new ATOM 194 N ALA A 14 -2.813 16.345 0.497 1.00 0.00 N ATOM 195 CA ALA A 14 -2.799 17.054 1.780 1.00 0.00 C ATOM 196 C ALA A 14 -1.566 16.717 2.645 1.00 0.00 C ATOM 197 O ALA A 14 -0.924 17.610 3.201 1.00 0.00 O ATOM 198 CB ALA A 14 -4.091 16.725 2.530 1.00 0.00 C ATOM 0 H ALA A 14 -3.633 15.752 0.369 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.735 18.123 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.098 17.245 3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.948 17.046 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.149 15.650 2.700 1.00 0.00 H new ATOM 204 N LEU A 15 -1.215 15.431 2.750 1.00 0.00 N ATOM 205 CA LEU A 15 -0.006 14.960 3.427 1.00 0.00 C ATOM 206 C LEU A 15 1.273 15.459 2.731 1.00 0.00 C ATOM 207 O LEU A 15 2.169 15.967 3.403 1.00 0.00 O ATOM 208 CB LEU A 15 -0.055 13.425 3.513 1.00 0.00 C ATOM 209 CG LEU A 15 -1.040 12.882 4.568 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.163 11.366 4.415 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.586 13.172 6.002 1.00 0.00 C ATOM 0 H LEU A 15 -1.776 14.675 2.358 1.00 0.00 H new ATOM 0 HA LEU A 15 0.026 15.373 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.330 13.026 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.944 13.053 3.740 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.993 13.384 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.859 10.980 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.532 11.130 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.186 10.905 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.316 12.768 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.383 12.706 6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.502 14.249 6.146 1.00 0.00 H new ATOM 223 N CYS A 16 1.346 15.382 1.398 1.00 0.00 N ATOM 224 CA CYS A 16 2.418 15.968 0.589 1.00 0.00 C ATOM 225 C CYS A 16 2.630 17.463 0.884 1.00 0.00 C ATOM 226 O CYS A 16 3.748 17.874 1.200 1.00 0.00 O ATOM 227 CB CYS A 16 2.107 15.739 -0.897 1.00 0.00 C ATOM 228 SG CYS A 16 2.470 14.022 -1.343 1.00 0.00 S ATOM 0 H CYS A 16 0.643 14.898 0.839 1.00 0.00 H new ATOM 0 HA CYS A 16 3.352 15.472 0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.059 15.962 -1.097 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.700 16.417 -1.511 1.00 0.00 H new ATOM 0 HG CYS A 16 2.202 13.835 -2.601 1.00 0.00 H new ATOM 234 N GLU A 17 1.564 18.265 0.818 1.00 0.00 N ATOM 235 CA GLU A 17 1.552 19.684 1.185 1.00 0.00 C ATOM 236 C GLU A 17 2.141 19.908 2.588 1.00 0.00 C ATOM 237 O GLU A 17 3.126 20.632 2.738 1.00 0.00 O ATOM 238 CB GLU A 17 0.111 20.222 1.079 1.00 0.00 C ATOM 239 CG GLU A 17 0.029 21.733 1.341 1.00 0.00 C ATOM 240 CD GLU A 17 -1.411 22.298 1.352 1.00 0.00 C ATOM 241 OE1 GLU A 17 -2.380 21.565 1.670 1.00 0.00 O ATOM 242 OE2 GLU A 17 -1.574 23.522 1.122 1.00 0.00 O ATOM 0 H GLU A 17 0.655 17.933 0.497 1.00 0.00 H new ATOM 0 HA GLU A 17 2.187 20.237 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.282 20.007 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.523 19.697 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.500 21.950 2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.606 22.255 0.577 1.00 0.00 H new ATOM 249 N GLU A 18 1.555 19.273 3.610 1.00 0.00 N ATOM 250 CA GLU A 18 1.934 19.425 5.019 1.00 0.00 C ATOM 251 C GLU A 18 3.391 19.026 5.304 1.00 0.00 C ATOM 252 O GLU A 18 4.126 19.785 5.937 1.00 0.00 O ATOM 253 CB GLU A 18 0.952 18.634 5.900 1.00 0.00 C ATOM 254 CG GLU A 18 1.180 18.888 7.397 1.00 0.00 C ATOM 255 CD GLU A 18 0.100 18.197 8.251 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.961 18.815 8.512 1.00 0.00 O ATOM 257 OE2 GLU A 18 0.311 17.038 8.684 1.00 0.00 O ATOM 0 H GLU A 18 0.782 18.621 3.475 1.00 0.00 H new ATOM 0 HA GLU A 18 1.872 20.485 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.070 18.909 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.059 17.569 5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.165 18.520 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.170 19.960 7.592 1.00 0.00 H new ATOM 264 N HIS A 19 3.840 17.865 4.827 1.00 0.00 N ATOM 265 CA HIS A 19 5.223 17.424 5.015 1.00 0.00 C ATOM 266 C HIS A 19 6.223 18.347 4.305 1.00 0.00 C ATOM 267 O HIS A 19 7.277 18.645 4.869 1.00 0.00 O ATOM 268 CB HIS A 19 5.378 15.977 4.537 1.00 0.00 C ATOM 269 CG HIS A 19 4.583 14.966 5.337 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.389 14.969 6.704 1.00 0.00 N ATOM 271 CD2 HIS A 19 3.945 13.861 4.837 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.642 13.896 7.018 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.352 13.187 5.912 1.00 0.00 N ATOM 0 H HIS A 19 3.261 17.208 4.304 1.00 0.00 H new ATOM 0 HA HIS A 19 5.450 17.474 6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.072 15.917 3.492 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.433 15.705 4.576 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.906 13.563 3.800 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.320 13.640 8.017 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.807 12.326 5.865 1.00 0.00 H new ATOM 281 N ALA A 20 5.904 18.850 3.107 1.00 0.00 N ATOM 282 CA ALA A 20 6.797 19.748 2.374 1.00 0.00 C ATOM 283 C ALA A 20 6.979 21.098 3.082 1.00 0.00 C ATOM 284 O ALA A 20 8.117 21.535 3.254 1.00 0.00 O ATOM 285 CB ALA A 20 6.301 19.936 0.943 1.00 0.00 C ATOM 0 H ALA A 20 5.029 18.648 2.624 1.00 0.00 H new ATOM 0 HA ALA A 20 7.781 19.280 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.975 20.606 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.274 18.971 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.299 20.365 0.959 1.00 0.00 H new ATOM 291 N LYS A 21 5.898 21.754 3.533 1.00 0.00 N ATOM 292 CA LYS A 21 6.006 23.001 4.320 1.00 0.00 C ATOM 293 C LYS A 21 6.698 22.795 5.675 1.00 0.00 C ATOM 294 O LYS A 21 7.418 23.684 6.127 1.00 0.00 O ATOM 295 CB LYS A 21 4.635 23.688 4.488 1.00 0.00 C ATOM 296 CG LYS A 21 3.639 22.870 5.325 1.00 0.00 C ATOM 297 CD LYS A 21 2.276 23.553 5.519 1.00 0.00 C ATOM 298 CE LYS A 21 2.308 24.802 6.413 1.00 0.00 C ATOM 299 NZ LYS A 21 2.554 24.475 7.844 1.00 0.00 N ATOM 0 H LYS A 21 4.940 21.446 3.369 1.00 0.00 H new ATOM 0 HA LYS A 21 6.647 23.669 3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.780 24.661 4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.206 23.871 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.484 21.904 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.078 22.673 6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.882 23.832 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.581 22.832 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.087 25.478 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.360 25.333 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.566 25.352 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.798 23.852 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.470 23.992 7.937 1.00 0.00 H new ATOM 313 N LYS A 22 6.527 21.625 6.306 1.00 0.00 N ATOM 314 CA LYS A 22 7.105 21.303 7.629 1.00 0.00 C ATOM 315 C LYS A 22 8.609 21.037 7.531 1.00 0.00 C ATOM 316 O LYS A 22 9.382 21.482 8.376 1.00 0.00 O ATOM 317 CB LYS A 22 6.345 20.110 8.242 1.00 0.00 C ATOM 318 CG LYS A 22 6.723 19.770 9.696 1.00 0.00 C ATOM 319 CD LYS A 22 6.359 20.887 10.690 1.00 0.00 C ATOM 320 CE LYS A 22 6.676 20.517 12.147 1.00 0.00 C ATOM 321 NZ LYS A 22 5.778 19.456 12.679 1.00 0.00 N ATOM 0 H LYS A 22 5.977 20.862 5.911 1.00 0.00 H new ATOM 0 HA LYS A 22 6.988 22.162 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.276 20.321 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.521 19.231 7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.218 18.850 9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.794 19.577 9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.902 21.794 10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.297 21.114 10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.710 20.180 12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.589 21.407 12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.024 19.257 13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.791 19.778 12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.891 18.590 12.114 1.00 0.00 H new ATOM 335 N ASN A 23 9.021 20.372 6.450 1.00 0.00 N ATOM 336 CA ASN A 23 10.423 20.166 6.066 1.00 0.00 C ATOM 337 C ASN A 23 11.048 21.394 5.366 1.00 0.00 C ATOM 338 O ASN A 23 12.233 21.379 5.030 1.00 0.00 O ATOM 339 CB ASN A 23 10.491 18.901 5.188 1.00 0.00 C ATOM 340 CG ASN A 23 11.905 18.357 5.014 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.725 18.364 5.923 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.232 17.839 3.852 1.00 0.00 N ATOM 0 H ASN A 23 8.367 19.946 5.794 1.00 0.00 H new ATOM 0 HA ASN A 23 11.022 20.031 6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.864 18.127 5.631 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.074 19.127 4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.163 17.447 3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.555 17.829 3.089 1.00 0.00 H new ATOM 349 N GLN A 24 10.263 22.458 5.145 1.00 0.00 N ATOM 350 CA GLN A 24 10.636 23.697 4.445 1.00 0.00 C ATOM 351 C GLN A 24 11.160 23.430 3.014 1.00 0.00 C ATOM 352 O GLN A 24 12.010 24.155 2.493 1.00 0.00 O ATOM 353 CB GLN A 24 11.599 24.529 5.317 1.00 0.00 C ATOM 354 CG GLN A 24 11.022 24.886 6.699 1.00 0.00 C ATOM 355 CD GLN A 24 12.116 25.374 7.645 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.400 26.560 7.765 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.780 24.478 8.346 1.00 0.00 N ATOM 0 H GLN A 24 9.296 22.479 5.468 1.00 0.00 H new ATOM 0 HA GLN A 24 9.739 24.298 4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.527 23.973 5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.852 25.448 4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.261 25.659 6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.530 24.013 7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.552 23.488 8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.522 24.774 8.980 1.00 0.00 H new ATOM 366 N ALA A 25 10.682 22.348 2.389 1.00 0.00 N ATOM 367 CA ALA A 25 11.124 21.874 1.080 1.00 0.00 C ATOM 368 C ALA A 25 10.485 22.664 -0.076 1.00 0.00 C ATOM 369 O ALA A 25 11.133 22.918 -1.091 1.00 0.00 O ATOM 370 CB ALA A 25 10.766 20.387 0.986 1.00 0.00 C ATOM 0 H ALA A 25 9.954 21.762 2.797 1.00 0.00 H new ATOM 0 HA ALA A 25 12.199 22.024 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.082 19.997 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.273 19.840 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.688 20.265 1.092 1.00 0.00 H new ATOM 376 N HIS A 26 9.206 23.033 0.076 1.00 0.00 N ATOM 377 CA HIS A 26 8.357 23.737 -0.903 1.00 0.00 C ATOM 378 C HIS A 26 8.269 23.088 -2.307 1.00 0.00 C ATOM 379 O HIS A 26 7.744 23.701 -3.242 1.00 0.00 O ATOM 380 CB HIS A 26 8.723 25.233 -0.921 1.00 0.00 C ATOM 381 CG HIS A 26 8.654 25.871 0.447 1.00 0.00 C ATOM 382 ND1 HIS A 26 7.504 26.193 1.136 1.00 0.00 N ATOM 383 CD2 HIS A 26 9.719 26.184 1.249 1.00 0.00 C ATOM 384 CE1 HIS A 26 7.866 26.692 2.331 1.00 0.00 C ATOM 385 NE2 HIS A 26 9.206 26.702 2.446 1.00 0.00 N ATOM 0 H HIS A 26 8.701 22.837 0.940 1.00 0.00 H new ATOM 0 HA HIS A 26 7.328 23.635 -0.557 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.730 25.351 -1.321 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.048 25.759 -1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.763 26.055 1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.179 27.036 3.090 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.745 27.024 3.250 1.00 0.00 H new ATOM 393 N LYS A 27 8.730 21.838 -2.457 1.00 0.00 N ATOM 394 CA LYS A 27 8.499 20.924 -3.589 1.00 0.00 C ATOM 395 C LYS A 27 8.681 19.456 -3.173 1.00 0.00 C ATOM 396 O LYS A 27 9.165 19.178 -2.074 1.00 0.00 O ATOM 397 CB LYS A 27 9.399 21.305 -4.782 1.00 0.00 C ATOM 398 CG LYS A 27 10.881 20.937 -4.595 1.00 0.00 C ATOM 399 CD LYS A 27 11.708 21.357 -5.816 1.00 0.00 C ATOM 400 CE LYS A 27 12.151 22.825 -5.738 1.00 0.00 C ATOM 401 NZ LYS A 27 13.126 23.155 -6.812 1.00 0.00 N ATOM 0 H LYS A 27 9.315 21.407 -1.741 1.00 0.00 H new ATOM 0 HA LYS A 27 7.463 21.030 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.024 20.811 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.321 22.379 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.271 21.425 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.976 19.862 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.587 20.717 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.120 21.204 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.280 23.475 -5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.600 23.020 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.419 24.149 -6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.960 22.539 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.682 23.008 -7.741 1.00 0.00 H new ATOM 415 N ILE A 28 8.336 18.527 -4.065 1.00 0.00 N ATOM 416 CA ILE A 28 8.553 17.073 -3.945 1.00 0.00 C ATOM 417 C ILE A 28 9.170 16.549 -5.253 1.00 0.00 C ATOM 418 O ILE A 28 8.834 17.017 -6.340 1.00 0.00 O ATOM 419 CB ILE A 28 7.218 16.369 -3.583 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.804 16.744 -2.142 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.277 14.834 -3.727 1.00 0.00 C ATOM 422 CD1 ILE A 28 5.414 16.249 -1.747 1.00 0.00 C ATOM 0 H ILE A 28 7.873 18.775 -4.939 1.00 0.00 H new ATOM 0 HA ILE A 28 9.253 16.852 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 28 6.474 16.721 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 28 7.536 16.334 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.836 17.828 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.311 14.406 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.515 14.574 -4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.047 14.436 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.197 16.552 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.670 16.679 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.381 15.162 -1.818 1.00 0.00 H new ATOM 434 N GLU A 29 10.072 15.571 -5.150 1.00 0.00 N ATOM 435 CA GLU A 29 10.617 14.811 -6.279 1.00 0.00 C ATOM 436 C GLU A 29 9.656 13.662 -6.650 1.00 0.00 C ATOM 437 O GLU A 29 9.005 13.703 -7.697 1.00 0.00 O ATOM 438 CB GLU A 29 12.030 14.309 -5.921 1.00 0.00 C ATOM 439 CG GLU A 29 12.738 13.578 -7.069 1.00 0.00 C ATOM 440 CD GLU A 29 12.940 14.455 -8.322 1.00 0.00 C ATOM 441 OE1 GLU A 29 13.484 15.579 -8.209 1.00 0.00 O ATOM 442 OE2 GLU A 29 12.563 14.017 -9.435 1.00 0.00 O ATOM 0 H GLU A 29 10.456 15.276 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 29 10.707 15.448 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.640 15.158 -5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.961 13.639 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.709 13.225 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.158 12.697 -7.341 1.00 0.00 H new ATOM 449 N ARG A 30 9.532 12.655 -5.768 1.00 0.00 N ATOM 450 CA ARG A 30 8.707 11.445 -5.949 1.00 0.00 C ATOM 451 C ARG A 30 7.982 11.032 -4.669 1.00 0.00 C ATOM 452 O ARG A 30 8.606 10.607 -3.703 1.00 0.00 O ATOM 453 CB ARG A 30 9.563 10.265 -6.440 1.00 0.00 C ATOM 454 CG ARG A 30 9.989 10.388 -7.910 1.00 0.00 C ATOM 455 CD ARG A 30 10.759 9.150 -8.382 1.00 0.00 C ATOM 456 NE ARG A 30 11.965 8.904 -7.572 1.00 0.00 N ATOM 457 CZ ARG A 30 12.703 7.815 -7.521 1.00 0.00 C ATOM 458 NH1 ARG A 30 12.395 6.718 -8.156 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.778 7.829 -6.793 1.00 0.00 N ATOM 0 H ARG A 30 10.023 12.661 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 30 7.958 11.699 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.454 10.189 -5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.002 9.340 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.106 10.528 -8.534 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.612 11.274 -8.036 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.107 8.278 -8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.044 9.278 -9.426 1.00 0.00 H new ATOM 0 HE ARG A 30 12.266 9.675 -6.976 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.549 6.678 -8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.000 5.900 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.034 8.671 -6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.367 6.998 -6.737 1.00 0.00 H new ATOM 473 N VAL A 31 6.656 11.088 -4.669 1.00 0.00 N ATOM 474 CA VAL A 31 5.823 10.331 -3.717 1.00 0.00 C ATOM 475 C VAL A 31 5.999 8.831 -4.004 1.00 0.00 C ATOM 476 O VAL A 31 5.891 8.427 -5.159 1.00 0.00 O ATOM 477 CB VAL A 31 4.344 10.701 -3.899 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.455 10.125 -2.796 1.00 0.00 C ATOM 479 CG2 VAL A 31 4.082 12.210 -4.003 1.00 0.00 C ATOM 0 H VAL A 31 6.119 11.656 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 31 6.127 10.568 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 31 4.082 10.248 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.420 10.417 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.531 9.038 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.780 10.509 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.014 12.386 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.425 12.702 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.621 12.615 -4.860 1.00 0.00 H new ATOM 489 N VAL A 32 6.258 7.994 -2.999 1.00 0.00 N ATOM 490 CA VAL A 32 6.404 6.529 -3.131 1.00 0.00 C ATOM 491 C VAL A 32 5.154 5.842 -2.580 1.00 0.00 C ATOM 492 O VAL A 32 4.828 6.000 -1.401 1.00 0.00 O ATOM 493 CB VAL A 32 7.668 6.013 -2.413 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.884 4.518 -2.688 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.933 6.754 -2.869 1.00 0.00 C ATOM 0 H VAL A 32 6.377 8.318 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 32 6.516 6.289 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 32 7.504 6.190 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.781 4.179 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.023 3.954 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.001 4.358 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.798 6.358 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.070 6.614 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.830 7.817 -2.653 1.00 0.00 H new ATOM 505 N VAL A 33 4.434 5.093 -3.422 1.00 0.00 N ATOM 506 CA VAL A 33 3.128 4.486 -3.083 1.00 0.00 C ATOM 507 C VAL A 33 3.048 3.025 -3.528 1.00 0.00 C ATOM 508 O VAL A 33 3.322 2.708 -4.683 1.00 0.00 O ATOM 509 CB VAL A 33 1.962 5.295 -3.695 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.608 4.748 -3.226 1.00 0.00 C ATOM 511 CG2 VAL A 33 2.026 6.779 -3.302 1.00 0.00 C ATOM 0 H VAL A 33 4.740 4.884 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 33 3.038 4.512 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 33 2.060 5.198 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.195 5.335 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.510 3.707 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.546 4.813 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.189 7.311 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.972 6.871 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.963 7.209 -3.657 1.00 0.00 H new ATOM 521 N GLY A 34 2.644 2.128 -2.628 1.00 0.00 N ATOM 522 CA GLY A 34 2.446 0.705 -2.897 1.00 0.00 C ATOM 523 C GLY A 34 0.984 0.351 -3.186 1.00 0.00 C ATOM 524 O GLY A 34 0.075 0.830 -2.506 1.00 0.00 O ATOM 0 H GLY A 34 2.439 2.381 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.061 0.412 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.792 0.127 -2.040 1.00 0.00 H new ATOM 528 N ILE A 35 0.749 -0.516 -4.172 1.00 0.00 N ATOM 529 CA ILE A 35 -0.572 -1.036 -4.563 1.00 0.00 C ATOM 530 C ILE A 35 -0.506 -2.565 -4.594 1.00 0.00 C ATOM 531 O ILE A 35 0.371 -3.144 -5.242 1.00 0.00 O ATOM 532 CB ILE A 35 -1.044 -0.449 -5.914 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.034 1.099 -5.875 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.450 -0.987 -6.259 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.561 1.767 -7.145 1.00 0.00 C ATOM 0 H ILE A 35 1.502 -0.894 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.315 -0.725 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.352 -0.763 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.634 1.433 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.014 1.439 -5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.776 -0.569 -7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.416 -2.074 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.152 -0.698 -5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.518 2.850 -7.031 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.948 1.467 -7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.593 1.461 -7.316 1.00 0.00 H new ATOM 547 N GLY A 36 -1.413 -3.220 -3.866 1.00 0.00 N ATOM 548 CA GLY A 36 -1.449 -4.681 -3.745 1.00 0.00 C ATOM 549 C GLY A 36 -1.819 -5.361 -5.063 1.00 0.00 C ATOM 550 O GLY A 36 -2.684 -4.875 -5.793 1.00 0.00 O ATOM 0 H GLY A 36 -2.149 -2.749 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.475 -5.040 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.170 -4.963 -2.978 1.00 0.00 H new ATOM 554 N GLU A 37 -1.231 -6.523 -5.361 1.00 0.00 N ATOM 555 CA GLU A 37 -1.494 -7.226 -6.625 1.00 0.00 C ATOM 556 C GLU A 37 -2.931 -7.794 -6.713 1.00 0.00 C ATOM 557 O GLU A 37 -3.382 -8.182 -7.793 1.00 0.00 O ATOM 558 CB GLU A 37 -0.425 -8.291 -6.932 1.00 0.00 C ATOM 559 CG GLU A 37 -0.303 -9.432 -5.916 1.00 0.00 C ATOM 560 CD GLU A 37 0.445 -10.637 -6.523 1.00 0.00 C ATOM 561 OE1 GLU A 37 1.605 -10.481 -6.980 1.00 0.00 O ATOM 562 OE2 GLU A 37 -0.128 -11.753 -6.540 1.00 0.00 O ATOM 0 H GLU A 37 -0.570 -6.998 -4.747 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.422 -6.472 -7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.641 -8.723 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.542 -7.795 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.226 -9.080 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.296 -9.742 -5.592 1.00 0.00 H new ATOM 569 N ARG A 38 -3.671 -7.788 -5.590 1.00 0.00 N ATOM 570 CA ARG A 38 -5.100 -8.113 -5.468 1.00 0.00 C ATOM 571 C ARG A 38 -5.981 -6.929 -5.017 1.00 0.00 C ATOM 572 O ARG A 38 -7.167 -7.121 -4.748 1.00 0.00 O ATOM 573 CB ARG A 38 -5.276 -9.337 -4.546 1.00 0.00 C ATOM 574 CG ARG A 38 -4.555 -10.618 -5.004 1.00 0.00 C ATOM 575 CD ARG A 38 -5.063 -11.143 -6.351 1.00 0.00 C ATOM 576 NE ARG A 38 -4.365 -12.385 -6.736 1.00 0.00 N ATOM 577 CZ ARG A 38 -4.717 -13.240 -7.679 1.00 0.00 C ATOM 578 NH1 ARG A 38 -5.782 -13.069 -8.410 1.00 0.00 N ATOM 579 NH2 ARG A 38 -3.995 -14.299 -7.908 1.00 0.00 N ATOM 0 H ARG A 38 -3.261 -7.541 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.456 -8.355 -6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.918 -9.075 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.341 -9.552 -4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.486 -10.420 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.684 -11.391 -4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.135 -11.329 -6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.913 -10.385 -7.120 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.516 -12.608 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.376 -12.253 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.022 -13.751 -9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.153 -14.471 -7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.271 -14.956 -8.637 1.00 0.00 H new ATOM 593 N SER A 39 -5.438 -5.706 -4.948 1.00 0.00 N ATOM 594 CA SER A 39 -6.177 -4.484 -4.558 1.00 0.00 C ATOM 595 C SER A 39 -7.246 -4.033 -5.569 1.00 0.00 C ATOM 596 O SER A 39 -8.075 -3.187 -5.235 1.00 0.00 O ATOM 597 CB SER A 39 -5.201 -3.321 -4.340 1.00 0.00 C ATOM 598 OG SER A 39 -4.411 -3.541 -3.187 1.00 0.00 O ATOM 0 H SER A 39 -4.457 -5.529 -5.164 1.00 0.00 H new ATOM 0 HA SER A 39 -6.698 -4.751 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.557 -3.212 -5.213 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.756 -2.389 -4.234 1.00 0.00 H new ATOM 0 HG SER A 39 -4.853 -4.197 -2.608 1.00 0.00 H new ATOM 604 N ALA A 40 -7.233 -4.570 -6.796 1.00 0.00 N ATOM 605 CA ALA A 40 -8.163 -4.338 -7.916 1.00 0.00 C ATOM 606 C ALA A 40 -8.309 -2.883 -8.436 1.00 0.00 C ATOM 607 O ALA A 40 -8.955 -2.661 -9.463 1.00 0.00 O ATOM 608 CB ALA A 40 -9.513 -4.991 -7.584 1.00 0.00 C ATOM 0 H ALA A 40 -6.508 -5.238 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.702 -4.817 -8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.209 -4.826 -8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.373 -6.062 -7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.916 -4.550 -6.673 1.00 0.00 H new ATOM 614 N MET A 41 -7.693 -1.897 -7.779 1.00 0.00 N ATOM 615 CA MET A 41 -7.608 -0.501 -8.223 1.00 0.00 C ATOM 616 C MET A 41 -6.633 -0.361 -9.398 1.00 0.00 C ATOM 617 O MET A 41 -5.508 -0.866 -9.352 1.00 0.00 O ATOM 618 CB MET A 41 -7.163 0.390 -7.051 1.00 0.00 C ATOM 619 CG MET A 41 -8.281 0.515 -6.010 1.00 0.00 C ATOM 620 SD MET A 41 -7.860 1.469 -4.527 1.00 0.00 S ATOM 621 CE MET A 41 -6.961 0.199 -3.598 1.00 0.00 C ATOM 0 H MET A 41 -7.221 -2.054 -6.888 1.00 0.00 H new ATOM 0 HA MET A 41 -8.594 -0.182 -8.562 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.272 -0.031 -6.586 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.892 1.379 -7.422 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.146 0.977 -6.485 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.583 -0.487 -5.704 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.795 0.544 -2.577 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.546 -0.721 -3.579 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.001 0.009 -4.078 1.00 0.00 H new ATOM 631 N ASP A 42 -7.049 0.346 -10.450 1.00 0.00 N ATOM 632 CA ASP A 42 -6.194 0.693 -11.589 1.00 0.00 C ATOM 633 C ASP A 42 -5.077 1.660 -11.157 1.00 0.00 C ATOM 634 O ASP A 42 -5.330 2.823 -10.834 1.00 0.00 O ATOM 635 CB ASP A 42 -7.038 1.282 -12.729 1.00 0.00 C ATOM 636 CG ASP A 42 -7.860 0.201 -13.448 1.00 0.00 C ATOM 637 OD1 ASP A 42 -7.267 -0.596 -14.214 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.100 0.154 -13.265 1.00 0.00 O ATOM 0 H ASP A 42 -8.002 0.699 -10.537 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.717 -0.215 -11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.709 2.043 -12.329 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.384 1.779 -13.446 1.00 0.00 H new ATOM 643 N LYS A 43 -3.825 1.191 -11.161 1.00 0.00 N ATOM 644 CA LYS A 43 -2.632 1.981 -10.807 1.00 0.00 C ATOM 645 C LYS A 43 -2.511 3.289 -11.608 1.00 0.00 C ATOM 646 O LYS A 43 -2.189 4.339 -11.051 1.00 0.00 O ATOM 647 CB LYS A 43 -1.392 1.074 -10.925 1.00 0.00 C ATOM 648 CG LYS A 43 -0.988 0.721 -12.368 1.00 0.00 C ATOM 649 CD LYS A 43 0.025 -0.429 -12.465 1.00 0.00 C ATOM 650 CE LYS A 43 1.372 -0.099 -11.800 1.00 0.00 C ATOM 651 NZ LYS A 43 2.345 -1.207 -11.982 1.00 0.00 N ATOM 0 H LYS A 43 -3.603 0.229 -11.416 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.723 2.319 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.551 1.566 -10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.581 0.150 -10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.882 0.453 -12.930 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.565 1.606 -12.844 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.397 -1.318 -11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.193 -0.670 -13.515 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.777 0.818 -12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.220 0.085 -10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.245 -0.958 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.967 -2.075 -11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.506 -1.365 -12.997 1.00 0.00 H new ATOM 665 N SER A 44 -2.843 3.224 -12.900 1.00 0.00 N ATOM 666 CA SER A 44 -2.922 4.365 -13.825 1.00 0.00 C ATOM 667 C SER A 44 -3.985 5.387 -13.399 1.00 0.00 C ATOM 668 O SER A 44 -3.739 6.593 -13.443 1.00 0.00 O ATOM 669 CB SER A 44 -3.202 3.857 -15.246 1.00 0.00 C ATOM 670 OG SER A 44 -3.006 4.878 -16.212 1.00 0.00 O ATOM 0 H SER A 44 -3.074 2.339 -13.352 1.00 0.00 H new ATOM 0 HA SER A 44 -1.962 4.880 -13.802 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.547 3.014 -15.468 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.226 3.489 -15.307 1.00 0.00 H new ATOM 0 HG SER A 44 -3.191 4.522 -17.106 1.00 0.00 H new ATOM 676 N LEU A 45 -5.156 4.928 -12.936 1.00 0.00 N ATOM 677 CA LEU A 45 -6.218 5.795 -12.417 1.00 0.00 C ATOM 678 C LEU A 45 -5.779 6.531 -11.144 1.00 0.00 C ATOM 679 O LEU A 45 -6.016 7.731 -11.045 1.00 0.00 O ATOM 680 CB LEU A 45 -7.503 4.974 -12.199 1.00 0.00 C ATOM 681 CG LEU A 45 -8.717 5.778 -11.693 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.136 6.889 -12.657 1.00 0.00 C ATOM 683 CD2 LEU A 45 -9.907 4.834 -11.505 1.00 0.00 C ATOM 0 H LEU A 45 -5.393 3.936 -12.912 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.429 6.568 -13.156 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.772 4.493 -13.140 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.290 4.179 -11.484 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.420 6.242 -10.752 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.995 7.421 -12.248 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.308 7.586 -12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.403 6.454 -13.620 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.767 5.400 -11.147 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.153 4.364 -12.457 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.650 4.065 -10.776 1.00 0.00 H new ATOM 695 N PHE A 46 -5.110 5.861 -10.195 1.00 0.00 N ATOM 696 CA PHE A 46 -4.603 6.514 -8.981 1.00 0.00 C ATOM 697 C PHE A 46 -3.635 7.663 -9.292 1.00 0.00 C ATOM 698 O PHE A 46 -3.856 8.788 -8.835 1.00 0.00 O ATOM 699 CB PHE A 46 -3.954 5.503 -8.026 1.00 0.00 C ATOM 700 CG PHE A 46 -3.398 6.170 -6.777 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.273 6.768 -5.846 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.003 6.266 -6.579 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.759 7.452 -4.731 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.507 6.893 -5.426 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.377 7.494 -4.506 1.00 0.00 C ATOM 0 H PHE A 46 -4.907 4.863 -10.246 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.470 6.948 -8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.690 4.753 -7.738 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.151 4.979 -8.545 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.341 6.700 -5.990 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.322 5.859 -7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.431 7.947 -4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.442 6.913 -5.245 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.984 7.987 -3.629 1.00 0.00 H new ATOM 715 N VAL A 47 -2.584 7.419 -10.092 1.00 0.00 N ATOM 716 CA VAL A 47 -1.655 8.501 -10.474 1.00 0.00 C ATOM 717 C VAL A 47 -2.338 9.609 -11.245 1.00 0.00 C ATOM 718 O VAL A 47 -2.141 10.782 -10.938 1.00 0.00 O ATOM 719 CB VAL A 47 -0.433 7.995 -11.240 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.667 7.278 -12.568 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.595 9.107 -11.470 1.00 0.00 C ATOM 0 H VAL A 47 -2.357 6.504 -10.481 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.302 8.917 -9.530 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.064 7.226 -10.561 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.291 6.978 -12.993 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.283 6.394 -12.401 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.177 7.949 -13.259 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.448 8.706 -12.018 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.138 9.911 -12.047 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.931 9.496 -10.509 1.00 0.00 H new ATOM 731 N SER A 48 -3.179 9.247 -12.210 1.00 0.00 N ATOM 732 CA SER A 48 -3.902 10.231 -13.002 1.00 0.00 C ATOM 733 C SER A 48 -4.836 11.082 -12.130 1.00 0.00 C ATOM 734 O SER A 48 -4.982 12.276 -12.380 1.00 0.00 O ATOM 735 CB SER A 48 -4.657 9.526 -14.129 1.00 0.00 C ATOM 736 OG SER A 48 -5.154 10.450 -15.087 1.00 0.00 O ATOM 0 H SER A 48 -3.375 8.278 -12.461 1.00 0.00 H new ATOM 0 HA SER A 48 -3.185 10.921 -13.446 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.995 8.813 -14.620 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.486 8.955 -13.710 1.00 0.00 H new ATOM 0 HG SER A 48 -5.629 9.965 -15.793 1.00 0.00 H new ATOM 742 N ALA A 49 -5.408 10.517 -11.061 1.00 0.00 N ATOM 743 CA ALA A 49 -6.223 11.261 -10.098 1.00 0.00 C ATOM 744 C ALA A 49 -5.368 12.226 -9.258 1.00 0.00 C ATOM 745 O ALA A 49 -5.733 13.395 -9.097 1.00 0.00 O ATOM 746 CB ALA A 49 -7.009 10.286 -9.214 1.00 0.00 C ATOM 0 H ALA A 49 -5.317 9.525 -10.840 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.935 11.875 -10.650 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.612 10.847 -8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.660 9.674 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.314 9.643 -8.674 1.00 0.00 H new ATOM 752 N PHE A 50 -4.205 11.768 -8.773 1.00 0.00 N ATOM 753 CA PHE A 50 -3.187 12.629 -8.160 1.00 0.00 C ATOM 754 C PHE A 50 -2.820 13.827 -9.063 1.00 0.00 C ATOM 755 O PHE A 50 -2.877 14.970 -8.607 1.00 0.00 O ATOM 756 CB PHE A 50 -1.977 11.773 -7.734 1.00 0.00 C ATOM 757 CG PHE A 50 -0.641 12.492 -7.751 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.228 13.273 -6.656 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.180 12.402 -8.890 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.984 13.986 -6.719 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.374 13.135 -8.967 1.00 0.00 C ATOM 762 CZ PHE A 50 1.780 13.926 -7.879 1.00 0.00 C ATOM 0 H PHE A 50 -3.944 10.782 -8.796 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.595 13.084 -7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.156 11.395 -6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.914 10.907 -8.393 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.840 13.325 -5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.111 11.764 -9.711 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.304 14.580 -5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.979 13.091 -9.860 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.701 14.487 -7.932 1.00 0.00 H new ATOM 772 N GLU A 51 -2.495 13.609 -10.345 1.00 0.00 N ATOM 773 CA GLU A 51 -2.136 14.711 -11.256 1.00 0.00 C ATOM 774 C GLU A 51 -3.323 15.546 -11.775 1.00 0.00 C ATOM 775 O GLU A 51 -3.127 16.679 -12.208 1.00 0.00 O ATOM 776 CB GLU A 51 -1.220 14.251 -12.398 1.00 0.00 C ATOM 777 CG GLU A 51 -1.785 13.221 -13.366 1.00 0.00 C ATOM 778 CD GLU A 51 -1.004 13.219 -14.695 1.00 0.00 C ATOM 779 OE1 GLU A 51 0.018 12.498 -14.807 1.00 0.00 O ATOM 780 OE2 GLU A 51 -1.406 13.938 -15.643 1.00 0.00 O ATOM 0 H GLU A 51 -2.473 12.685 -10.776 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.570 15.398 -10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.927 15.130 -12.972 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.311 13.840 -11.958 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.741 12.230 -12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.836 13.437 -13.559 1.00 0.00 H new ATOM 787 N THR A 52 -4.562 15.061 -11.674 1.00 0.00 N ATOM 788 CA THR A 52 -5.779 15.884 -11.821 1.00 0.00 C ATOM 789 C THR A 52 -5.870 16.936 -10.709 1.00 0.00 C ATOM 790 O THR A 52 -5.971 18.129 -10.995 1.00 0.00 O ATOM 791 CB THR A 52 -7.057 15.019 -11.866 1.00 0.00 C ATOM 792 OG1 THR A 52 -7.131 14.314 -13.089 1.00 0.00 O ATOM 793 CG2 THR A 52 -8.359 15.817 -11.762 1.00 0.00 C ATOM 0 H THR A 52 -4.758 14.078 -11.486 1.00 0.00 H new ATOM 0 HA THR A 52 -5.703 16.403 -12.777 1.00 0.00 H new ATOM 0 HB THR A 52 -6.972 14.362 -11.000 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.487 13.575 -13.080 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.208 15.135 -11.802 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.376 16.364 -10.819 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.421 16.522 -12.591 1.00 0.00 H new ATOM 801 N PHE A 53 -5.814 16.524 -9.436 1.00 0.00 N ATOM 802 CA PHE A 53 -5.974 17.416 -8.275 1.00 0.00 C ATOM 803 C PHE A 53 -4.679 18.109 -7.809 1.00 0.00 C ATOM 804 O PHE A 53 -4.688 18.800 -6.786 1.00 0.00 O ATOM 805 CB PHE A 53 -6.685 16.661 -7.137 1.00 0.00 C ATOM 806 CG PHE A 53 -8.158 16.385 -7.394 1.00 0.00 C ATOM 807 CD1 PHE A 53 -9.044 17.445 -7.684 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.660 15.075 -7.301 1.00 0.00 C ATOM 809 CE1 PHE A 53 -10.409 17.190 -7.904 1.00 0.00 C ATOM 810 CE2 PHE A 53 -10.027 14.823 -7.503 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.904 15.878 -7.812 1.00 0.00 C ATOM 0 H PHE A 53 -5.654 15.550 -9.178 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.600 18.247 -8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.173 15.713 -6.970 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.591 17.240 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.671 18.457 -7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.991 14.258 -7.073 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -11.078 18.003 -8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.406 13.815 -7.421 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.953 15.681 -7.978 1.00 0.00 H new ATOM 821 N ARG A 54 -3.579 18.007 -8.572 1.00 0.00 N ATOM 822 CA ARG A 54 -2.292 18.686 -8.302 1.00 0.00 C ATOM 823 C ARG A 54 -2.440 20.187 -8.042 1.00 0.00 C ATOM 824 O ARG A 54 -1.680 20.759 -7.271 1.00 0.00 O ATOM 825 CB ARG A 54 -1.294 18.415 -9.446 1.00 0.00 C ATOM 826 CG ARG A 54 -1.662 19.111 -10.774 1.00 0.00 C ATOM 827 CD ARG A 54 -0.744 18.697 -11.930 1.00 0.00 C ATOM 828 NE ARG A 54 -1.272 19.182 -13.220 1.00 0.00 N ATOM 829 CZ ARG A 54 -0.640 19.259 -14.376 1.00 0.00 C ATOM 830 NH1 ARG A 54 0.619 18.946 -14.504 1.00 0.00 N ATOM 831 NH2 ARG A 54 -1.269 19.659 -15.444 1.00 0.00 N ATOM 0 H ARG A 54 -3.555 17.436 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.901 18.262 -7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.303 18.746 -9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.233 17.340 -9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.694 18.873 -11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.608 20.191 -10.641 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.256 19.099 -11.767 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.651 17.611 -11.955 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.243 19.496 -13.218 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.151 18.628 -13.693 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.073 19.019 -15.415 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.255 19.915 -15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.776 19.717 -16.335 1.00 0.00 H new ATOM 845 N GLU A 55 -3.447 20.806 -8.659 1.00 0.00 N ATOM 846 CA GLU A 55 -3.774 22.238 -8.581 1.00 0.00 C ATOM 847 C GLU A 55 -4.004 22.760 -7.150 1.00 0.00 C ATOM 848 O GLU A 55 -3.911 23.963 -6.903 1.00 0.00 O ATOM 849 CB GLU A 55 -5.004 22.543 -9.452 1.00 0.00 C ATOM 850 CG GLU A 55 -4.879 21.994 -10.880 1.00 0.00 C ATOM 851 CD GLU A 55 -5.871 22.690 -11.833 1.00 0.00 C ATOM 852 OE1 GLU A 55 -7.081 22.356 -11.814 1.00 0.00 O ATOM 853 OE2 GLU A 55 -5.446 23.581 -12.610 1.00 0.00 O ATOM 0 H GLU A 55 -4.095 20.297 -9.261 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.896 22.765 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.890 22.117 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.153 23.622 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.861 22.140 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.066 20.920 -10.877 1.00 0.00 H new ATOM 860 N GLU A 56 -4.268 21.865 -6.193 1.00 0.00 N ATOM 861 CA GLU A 56 -4.363 22.162 -4.761 1.00 0.00 C ATOM 862 C GLU A 56 -3.028 22.645 -4.143 1.00 0.00 C ATOM 863 O GLU A 56 -3.048 23.382 -3.154 1.00 0.00 O ATOM 864 CB GLU A 56 -4.867 20.888 -4.056 1.00 0.00 C ATOM 865 CG GLU A 56 -5.314 21.064 -2.598 1.00 0.00 C ATOM 866 CD GLU A 56 -6.587 21.927 -2.484 1.00 0.00 C ATOM 867 OE1 GLU A 56 -7.706 21.389 -2.662 1.00 0.00 O ATOM 868 OE2 GLU A 56 -6.485 23.147 -2.208 1.00 0.00 O ATOM 0 H GLU A 56 -4.427 20.879 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.056 22.991 -4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.704 20.486 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.074 20.141 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.499 20.085 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.510 21.527 -2.026 1.00 0.00 H new ATOM 875 N SER A 57 -1.863 22.253 -4.687 1.00 0.00 N ATOM 876 CA SER A 57 -0.539 22.567 -4.113 1.00 0.00 C ATOM 877 C SER A 57 0.600 22.602 -5.142 1.00 0.00 C ATOM 878 O SER A 57 0.822 21.647 -5.886 1.00 0.00 O ATOM 879 CB SER A 57 -0.180 21.532 -3.038 1.00 0.00 C ATOM 880 OG SER A 57 -1.015 21.674 -1.906 1.00 0.00 O ATOM 0 H SER A 57 -1.811 21.704 -5.545 1.00 0.00 H new ATOM 0 HA SER A 57 -0.631 23.570 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.281 20.527 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.863 21.653 -2.744 1.00 0.00 H new ATOM 0 HG SER A 57 -1.390 20.801 -1.664 1.00 0.00 H new ATOM 886 N LEU A 58 1.405 23.672 -5.125 1.00 0.00 N ATOM 887 CA LEU A 58 2.584 23.847 -5.990 1.00 0.00 C ATOM 888 C LEU A 58 3.613 22.712 -5.832 1.00 0.00 C ATOM 889 O LEU A 58 4.265 22.333 -6.805 1.00 0.00 O ATOM 890 CB LEU A 58 3.232 25.223 -5.727 1.00 0.00 C ATOM 891 CG LEU A 58 2.598 26.392 -6.508 1.00 0.00 C ATOM 892 CD1 LEU A 58 1.135 26.660 -6.147 1.00 0.00 C ATOM 893 CD2 LEU A 58 3.387 27.675 -6.242 1.00 0.00 C ATOM 0 H LEU A 58 1.253 24.460 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 58 2.239 23.804 -7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.171 25.441 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.291 25.166 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 58 2.631 26.099 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.762 27.496 -6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.540 25.772 -6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.060 26.903 -5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.937 28.500 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.368 27.900 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.419 27.541 -6.566 1.00 0.00 H new ATOM 905 N VAL A 59 3.715 22.118 -4.636 1.00 0.00 N ATOM 906 CA VAL A 59 4.603 20.969 -4.373 1.00 0.00 C ATOM 907 C VAL A 59 4.191 19.712 -5.152 1.00 0.00 C ATOM 908 O VAL A 59 5.045 18.888 -5.467 1.00 0.00 O ATOM 909 CB VAL A 59 4.734 20.653 -2.861 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.851 21.934 -2.021 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.592 19.822 -2.264 1.00 0.00 C ATOM 0 H VAL A 59 3.184 22.419 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 59 5.585 21.274 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 59 5.644 20.054 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.941 21.671 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.733 22.494 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.962 22.547 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.779 19.656 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.650 20.356 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.534 18.862 -2.777 1.00 0.00 H new ATOM 921 N CYS A 60 2.901 19.578 -5.479 1.00 0.00 N ATOM 922 CA CYS A 60 2.315 18.467 -6.232 1.00 0.00 C ATOM 923 C CYS A 60 2.350 18.702 -7.752 1.00 0.00 C ATOM 924 O CYS A 60 2.582 17.758 -8.509 1.00 0.00 O ATOM 925 CB CYS A 60 0.882 18.245 -5.718 1.00 0.00 C ATOM 926 SG CYS A 60 0.977 17.453 -4.084 1.00 0.00 S ATOM 0 H CYS A 60 2.206 20.275 -5.213 1.00 0.00 H new ATOM 0 HA CYS A 60 2.910 17.569 -6.068 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.352 19.195 -5.649 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.323 17.618 -6.412 1.00 0.00 H new ATOM 0 HG CYS A 60 0.368 16.305 -4.122 1.00 0.00 H new ATOM 932 N LYS A 61 2.183 19.953 -8.208 1.00 0.00 N ATOM 933 CA LYS A 61 2.228 20.358 -9.632 1.00 0.00 C ATOM 934 C LYS A 61 3.521 19.995 -10.377 1.00 0.00 C ATOM 935 O LYS A 61 3.477 19.808 -11.592 1.00 0.00 O ATOM 936 CB LYS A 61 1.953 21.867 -9.732 1.00 0.00 C ATOM 937 CG LYS A 61 0.444 22.152 -9.686 1.00 0.00 C ATOM 938 CD LYS A 61 0.090 23.493 -9.035 1.00 0.00 C ATOM 939 CE LYS A 61 0.802 24.718 -9.636 1.00 0.00 C ATOM 940 NZ LYS A 61 0.365 25.003 -11.031 1.00 0.00 N ATOM 0 H LYS A 61 2.007 20.738 -7.581 1.00 0.00 H new ATOM 0 HA LYS A 61 1.453 19.780 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.451 22.387 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.373 22.257 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.049 22.136 -10.702 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.052 21.350 -9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.987 23.644 -9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.329 23.438 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.607 25.590 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.879 24.551 -9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.873 25.836 -11.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.574 24.183 -11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.658 25.189 -11.043 1.00 0.00 H new ATOM 954 N ASP A 62 4.644 19.862 -9.670 1.00 0.00 N ATOM 955 CA ASP A 62 5.968 19.544 -10.230 1.00 0.00 C ATOM 956 C ASP A 62 6.524 18.168 -9.789 1.00 0.00 C ATOM 957 O ASP A 62 7.627 17.790 -10.192 1.00 0.00 O ATOM 958 CB ASP A 62 6.937 20.693 -9.900 1.00 0.00 C ATOM 959 CG ASP A 62 6.640 21.946 -10.743 1.00 0.00 C ATOM 960 OD1 ASP A 62 7.021 21.970 -11.939 1.00 0.00 O ATOM 961 OD2 ASP A 62 6.042 22.915 -10.219 1.00 0.00 O ATOM 0 H ASP A 62 4.663 19.976 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 62 5.858 19.453 -11.311 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.862 20.940 -8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.962 20.368 -10.079 1.00 0.00 H new ATOM 966 N ALA A 63 5.775 17.403 -8.984 1.00 0.00 N ATOM 967 CA ALA A 63 6.171 16.084 -8.477 1.00 0.00 C ATOM 968 C ALA A 63 5.722 14.911 -9.377 1.00 0.00 C ATOM 969 O ALA A 63 4.916 15.070 -10.299 1.00 0.00 O ATOM 970 CB ALA A 63 5.598 15.931 -7.064 1.00 0.00 C ATOM 0 H ALA A 63 4.853 17.693 -8.659 1.00 0.00 H new ATOM 0 HA ALA A 63 7.260 16.038 -8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.877 14.957 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.997 16.717 -6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.512 16.010 -7.101 1.00 0.00 H new ATOM 976 N ILE A 64 6.220 13.711 -9.061 1.00 0.00 N ATOM 977 CA ILE A 64 5.888 12.420 -9.688 1.00 0.00 C ATOM 978 C ILE A 64 5.401 11.433 -8.603 1.00 0.00 C ATOM 979 O ILE A 64 5.690 11.607 -7.416 1.00 0.00 O ATOM 980 CB ILE A 64 7.121 11.929 -10.499 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.380 12.887 -11.692 1.00 0.00 C ATOM 982 CG2 ILE A 64 6.985 10.477 -11.004 1.00 0.00 C ATOM 983 CD1 ILE A 64 8.642 12.584 -12.512 1.00 0.00 C ATOM 0 H ILE A 64 6.908 13.605 -8.315 1.00 0.00 H new ATOM 0 HA ILE A 64 5.065 12.511 -10.397 1.00 0.00 H new ATOM 0 HB ILE A 64 7.970 11.938 -9.816 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.517 12.854 -12.357 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.450 13.906 -11.311 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.880 10.200 -11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.865 9.806 -10.154 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.114 10.398 -11.654 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.733 13.309 -13.321 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.519 12.648 -11.867 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.572 11.580 -12.931 1.00 0.00 H new ATOM 995 N LEU A 65 4.660 10.391 -8.998 1.00 0.00 N ATOM 996 CA LEU A 65 4.107 9.352 -8.122 1.00 0.00 C ATOM 997 C LEU A 65 4.668 7.971 -8.526 1.00 0.00 C ATOM 998 O LEU A 65 4.295 7.397 -9.548 1.00 0.00 O ATOM 999 CB LEU A 65 2.574 9.490 -8.156 1.00 0.00 C ATOM 1000 CG LEU A 65 1.807 8.664 -7.104 1.00 0.00 C ATOM 1001 CD1 LEU A 65 0.643 9.472 -6.533 1.00 0.00 C ATOM 1002 CD2 LEU A 65 1.290 7.353 -7.689 1.00 0.00 C ATOM 0 H LEU A 65 4.419 10.243 -9.978 1.00 0.00 H new ATOM 0 HA LEU A 65 4.409 9.466 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.319 10.541 -8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.223 9.200 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 65 2.506 8.426 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.113 8.873 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.025 10.377 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.041 9.743 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.755 6.797 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.615 7.566 -8.518 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.130 6.758 -8.048 1.00 0.00 H new ATOM 1014 N ASP A 66 5.642 7.488 -7.755 1.00 0.00 N ATOM 1015 CA ASP A 66 6.410 6.256 -7.941 1.00 0.00 C ATOM 1016 C ASP A 66 5.652 5.039 -7.374 1.00 0.00 C ATOM 1017 O ASP A 66 5.612 4.808 -6.160 1.00 0.00 O ATOM 1018 CB ASP A 66 7.791 6.442 -7.291 1.00 0.00 C ATOM 1019 CG ASP A 66 8.825 5.438 -7.815 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.752 4.241 -7.455 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.726 5.850 -8.589 1.00 0.00 O ATOM 0 H ASP A 66 5.938 7.988 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 66 6.547 6.055 -9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.145 7.456 -7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.698 6.333 -6.210 1.00 0.00 H new ATOM 1026 N ILE A 67 4.975 4.302 -8.259 1.00 0.00 N ATOM 1027 CA ILE A 67 4.116 3.154 -7.919 1.00 0.00 C ATOM 1028 C ILE A 67 4.959 1.881 -7.683 1.00 0.00 C ATOM 1029 O ILE A 67 5.828 1.544 -8.492 1.00 0.00 O ATOM 1030 CB ILE A 67 3.053 2.915 -9.019 1.00 0.00 C ATOM 1031 CG1 ILE A 67 2.225 4.188 -9.328 1.00 0.00 C ATOM 1032 CG2 ILE A 67 2.104 1.786 -8.570 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.456 4.132 -10.655 1.00 0.00 C ATOM 0 H ILE A 67 5.007 4.489 -9.261 1.00 0.00 H new ATOM 0 HA ILE A 67 3.595 3.389 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 67 3.580 2.638 -9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.516 4.352 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.895 5.048 -9.345 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.353 1.614 -9.341 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.676 0.872 -8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.611 2.073 -7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.903 5.061 -10.795 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.159 4.001 -11.478 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.759 3.294 -10.636 1.00 0.00 H new ATOM 1045 N VAL A 68 4.658 1.138 -6.612 1.00 0.00 N ATOM 1046 CA VAL A 68 5.306 -0.123 -6.201 1.00 0.00 C ATOM 1047 C VAL A 68 4.288 -1.273 -6.170 1.00 0.00 C ATOM 1048 O VAL A 68 3.198 -1.139 -5.615 1.00 0.00 O ATOM 1049 CB VAL A 68 5.999 0.047 -4.829 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.686 -1.241 -4.358 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.068 1.147 -4.878 1.00 0.00 C ATOM 0 H VAL A 68 3.915 1.412 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 68 6.070 -0.375 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 68 5.205 0.313 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.157 -1.069 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.945 -2.035 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.444 -1.535 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.537 1.242 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.824 0.887 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.603 2.094 -5.151 1.00 0.00 H new ATOM 1061 N ASP A 69 4.641 -2.415 -6.764 1.00 0.00 N ATOM 1062 CA ASP A 69 3.869 -3.668 -6.717 1.00 0.00 C ATOM 1063 C ASP A 69 3.998 -4.348 -5.339 1.00 0.00 C ATOM 1064 O ASP A 69 5.075 -4.826 -4.974 1.00 0.00 O ATOM 1065 CB ASP A 69 4.353 -4.598 -7.841 1.00 0.00 C ATOM 1066 CG ASP A 69 3.523 -5.891 -7.926 1.00 0.00 C ATOM 1067 OD1 ASP A 69 2.333 -5.809 -8.309 1.00 0.00 O ATOM 1068 OD2 ASP A 69 4.066 -6.988 -7.648 1.00 0.00 O ATOM 0 H ASP A 69 5.499 -2.500 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 69 2.813 -3.445 -6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.300 -4.071 -8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.400 -4.851 -7.675 1.00 0.00 H new ATOM 1073 N GLU A 70 2.920 -4.373 -4.551 1.00 0.00 N ATOM 1074 CA GLU A 70 2.891 -4.972 -3.204 1.00 0.00 C ATOM 1075 C GLU A 70 2.305 -6.393 -3.249 1.00 0.00 C ATOM 1076 O GLU A 70 1.253 -6.631 -3.851 1.00 0.00 O ATOM 1077 CB GLU A 70 2.083 -4.085 -2.235 1.00 0.00 C ATOM 1078 CG GLU A 70 2.767 -2.761 -1.860 1.00 0.00 C ATOM 1079 CD GLU A 70 3.729 -2.929 -0.671 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.779 -3.598 -0.815 1.00 0.00 O ATOM 1081 OE2 GLU A 70 3.417 -2.412 0.430 1.00 0.00 O ATOM 0 H GLU A 70 2.025 -3.972 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 70 3.916 -5.038 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.116 -3.864 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.888 -4.649 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.317 -2.380 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.009 -2.018 -1.612 1.00 0.00 H new ATOM 1088 N LYS A 71 2.978 -7.358 -2.608 1.00 0.00 N ATOM 1089 CA LYS A 71 2.516 -8.754 -2.533 1.00 0.00 C ATOM 1090 C LYS A 71 1.434 -8.962 -1.470 1.00 0.00 C ATOM 1091 O LYS A 71 1.167 -8.084 -0.645 1.00 0.00 O ATOM 1092 CB LYS A 71 3.725 -9.702 -2.354 1.00 0.00 C ATOM 1093 CG LYS A 71 4.736 -9.660 -3.521 1.00 0.00 C ATOM 1094 CD LYS A 71 4.041 -9.728 -4.889 1.00 0.00 C ATOM 1095 CE LYS A 71 4.996 -9.993 -6.053 1.00 0.00 C ATOM 1096 NZ LYS A 71 4.289 -9.764 -7.335 1.00 0.00 N ATOM 0 H LYS A 71 3.861 -7.194 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 71 2.032 -9.002 -3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.242 -9.444 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.359 -10.723 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.324 -8.744 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.433 -10.493 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.286 -10.514 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.517 -8.789 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.864 -9.337 -5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.366 -11.017 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.723 -10.346 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.288 -10.026 -7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.359 -8.760 -7.595 1.00 0.00 H new ATOM 1110 N VAL A 72 0.809 -10.139 -1.504 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.332 -10.533 -0.667 1.00 0.00 C ATOM 1112 C VAL A 72 0.025 -11.778 0.143 1.00 0.00 C ATOM 1113 O VAL A 72 0.636 -12.710 -0.380 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.583 -10.781 -1.531 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -2.822 -11.091 -0.685 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.922 -9.560 -2.394 1.00 0.00 C ATOM 0 H VAL A 72 1.095 -10.880 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.560 -9.720 0.023 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.336 -11.639 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.677 -11.258 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.641 -11.986 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.030 -10.250 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.810 -9.771 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.113 -8.701 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.085 -9.339 -3.056 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.354 -11.798 1.420 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.007 -12.871 2.360 1.00 0.00 C ATOM 1128 C GLU A 73 -1.194 -13.259 3.250 1.00 0.00 C ATOM 1129 O GLU A 73 -1.843 -12.404 3.863 1.00 0.00 O ATOM 1130 CB GLU A 73 1.207 -12.442 3.198 1.00 0.00 C ATOM 1131 CG GLU A 73 2.010 -13.628 3.736 1.00 0.00 C ATOM 1132 CD GLU A 73 3.348 -13.140 4.330 1.00 0.00 C ATOM 1133 OE1 GLU A 73 3.341 -12.462 5.386 1.00 0.00 O ATOM 1134 OE2 GLU A 73 4.418 -13.422 3.736 1.00 0.00 O ATOM 0 H GLU A 73 -0.919 -11.060 1.840 1.00 0.00 H new ATOM 0 HA GLU A 73 0.252 -13.762 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.859 -11.815 2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.867 -11.831 4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.434 -14.150 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.199 -14.342 2.935 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.474 -14.562 3.307 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.552 -15.183 4.071 1.00 0.00 C ATOM 1143 C LEU A 74 -1.999 -15.916 5.307 1.00 0.00 C ATOM 1144 O LEU A 74 -1.414 -16.994 5.177 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.359 -16.144 3.174 1.00 0.00 C ATOM 1146 CG LEU A 74 -3.886 -15.584 1.840 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -4.867 -16.586 1.229 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -4.622 -14.257 1.984 1.00 0.00 C ATOM 0 H LEU A 74 -0.923 -15.249 2.792 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.221 -14.398 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.732 -17.008 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.211 -16.507 3.748 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.011 -15.418 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.244 -16.196 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.357 -17.533 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.700 -16.744 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.965 -13.923 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.480 -14.386 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.948 -13.511 2.406 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.149 -15.344 6.506 1.00 0.00 N ATOM 1161 CA GLU A 75 -1.890 -16.060 7.763 1.00 0.00 C ATOM 1162 C GLU A 75 -3.063 -16.965 8.174 1.00 0.00 C ATOM 1163 O GLU A 75 -4.229 -16.656 7.914 1.00 0.00 O ATOM 1164 CB GLU A 75 -1.496 -15.106 8.909 1.00 0.00 C ATOM 1165 CG GLU A 75 -2.634 -14.304 9.553 1.00 0.00 C ATOM 1166 CD GLU A 75 -2.109 -13.481 10.749 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -1.905 -14.054 11.848 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -1.895 -12.253 10.608 1.00 0.00 O ATOM 0 H GLU A 75 -2.451 -14.378 6.634 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.035 -16.707 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.008 -15.692 9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.756 -14.402 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.080 -13.638 8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.420 -14.981 9.888 1.00 0.00 H new ATOM 1175 N CYS A 76 -2.753 -18.063 8.867 1.00 0.00 N ATOM 1176 CA CYS A 76 -3.734 -18.913 9.534 1.00 0.00 C ATOM 1177 C CYS A 76 -4.189 -18.310 10.883 1.00 0.00 C ATOM 1178 O CYS A 76 -3.428 -17.620 11.571 1.00 0.00 O ATOM 1179 CB CYS A 76 -3.078 -20.280 9.732 1.00 0.00 C ATOM 1180 SG CYS A 76 -4.326 -21.593 9.930 1.00 0.00 S ATOM 0 H CYS A 76 -1.794 -18.390 8.981 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.634 -19.001 8.926 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.441 -20.507 8.877 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.434 -20.252 10.611 1.00 0.00 H new ATOM 1185 N LYS A 77 -5.430 -18.614 11.275 1.00 0.00 N ATOM 1186 CA LYS A 77 -6.096 -18.172 12.518 1.00 0.00 C ATOM 1187 C LYS A 77 -5.377 -18.583 13.810 1.00 0.00 C ATOM 1188 O LYS A 77 -5.031 -17.727 14.623 1.00 0.00 O ATOM 1189 CB LYS A 77 -7.551 -18.687 12.530 1.00 0.00 C ATOM 1190 CG LYS A 77 -8.494 -17.879 11.623 1.00 0.00 C ATOM 1191 CD LYS A 77 -8.831 -16.482 12.170 1.00 0.00 C ATOM 1192 CE LYS A 77 -9.665 -16.465 13.462 1.00 0.00 C ATOM 1193 NZ LYS A 77 -11.058 -16.938 13.247 1.00 0.00 N ATOM 0 H LYS A 77 -6.035 -19.207 10.707 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.068 -17.082 12.508 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.562 -19.730 12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.930 -18.659 13.552 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.036 -17.774 10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.419 -18.439 11.485 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.899 -15.947 12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.371 -15.930 11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.183 -17.094 14.210 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.687 -15.452 13.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.578 -16.907 14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.530 -16.323 12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.042 -17.915 12.890 1.00 0.00 H new ATOM 1207 N ASP A 78 -5.210 -19.887 14.022 1.00 0.00 N ATOM 1208 CA ASP A 78 -4.744 -20.500 15.281 1.00 0.00 C ATOM 1209 C ASP A 78 -3.613 -21.519 15.029 1.00 0.00 C ATOM 1210 O ASP A 78 -3.730 -22.715 15.313 1.00 0.00 O ATOM 1211 CB ASP A 78 -5.956 -21.082 16.032 1.00 0.00 C ATOM 1212 CG ASP A 78 -5.601 -21.620 17.432 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -4.787 -20.986 18.146 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -6.178 -22.655 17.848 1.00 0.00 O ATOM 0 H ASP A 78 -5.401 -20.579 13.298 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.295 -19.743 15.924 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.720 -20.311 16.129 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.390 -21.887 15.440 1.00 0.00 H new ATOM 1219 N CYS A 79 -2.531 -21.017 14.428 1.00 0.00 N ATOM 1220 CA CYS A 79 -1.451 -21.776 13.792 1.00 0.00 C ATOM 1221 C CYS A 79 -0.077 -21.095 14.006 1.00 0.00 C ATOM 1222 O CYS A 79 0.109 -20.314 14.946 1.00 0.00 O ATOM 1223 CB CYS A 79 -1.835 -21.872 12.308 1.00 0.00 C ATOM 1224 SG CYS A 79 -1.752 -23.542 11.614 1.00 0.00 S ATOM 0 H CYS A 79 -2.376 -20.011 14.369 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.340 -22.769 14.229 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.849 -21.491 12.183 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.177 -21.221 11.733 1.00 0.00 H new ATOM 1229 N SER A 80 0.884 -21.382 13.123 1.00 0.00 N ATOM 1230 CA SER A 80 2.231 -20.771 13.113 1.00 0.00 C ATOM 1231 C SER A 80 2.827 -20.553 11.709 1.00 0.00 C ATOM 1232 O SER A 80 4.030 -20.313 11.569 1.00 0.00 O ATOM 1233 CB SER A 80 3.184 -21.560 14.024 1.00 0.00 C ATOM 1234 OG SER A 80 3.420 -22.876 13.545 1.00 0.00 O ATOM 0 H SER A 80 0.751 -22.061 12.374 1.00 0.00 H new ATOM 0 HA SER A 80 2.107 -19.764 13.512 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.132 -21.028 14.102 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.764 -21.611 15.029 1.00 0.00 H new ATOM 0 HG SER A 80 4.032 -23.341 14.153 1.00 0.00 H new ATOM 1240 N HIS A 81 2.001 -20.623 10.658 1.00 0.00 N ATOM 1241 CA HIS A 81 2.405 -20.545 9.249 1.00 0.00 C ATOM 1242 C HIS A 81 1.526 -19.571 8.437 1.00 0.00 C ATOM 1243 O HIS A 81 0.350 -19.358 8.753 1.00 0.00 O ATOM 1244 CB HIS A 81 2.363 -21.971 8.676 1.00 0.00 C ATOM 1245 CG HIS A 81 2.640 -22.049 7.200 1.00 0.00 C ATOM 1246 ND1 HIS A 81 3.875 -21.959 6.595 1.00 0.00 N ATOM 1247 CD2 HIS A 81 1.694 -22.150 6.217 1.00 0.00 C ATOM 1248 CE1 HIS A 81 3.680 -22.004 5.265 1.00 0.00 C ATOM 1249 NE2 HIS A 81 2.368 -22.119 4.993 1.00 0.00 N ATOM 0 H HIS A 81 0.994 -20.740 10.770 1.00 0.00 H new ATOM 0 HA HIS A 81 3.415 -20.141 9.178 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.092 -22.585 9.204 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.381 -22.402 8.874 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.774 -21.874 7.070 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.627 -22.237 6.360 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.463 -21.955 4.523 1.00 0.00 H new ATOM 1257 N VAL A 82 2.100 -18.995 7.372 1.00 0.00 N ATOM 1258 CA VAL A 82 1.448 -18.101 6.402 1.00 0.00 C ATOM 1259 C VAL A 82 1.915 -18.427 4.970 1.00 0.00 C ATOM 1260 O VAL A 82 3.055 -18.860 4.778 1.00 0.00 O ATOM 1261 CB VAL A 82 1.699 -16.612 6.751 1.00 0.00 C ATOM 1262 CG1 VAL A 82 1.685 -16.304 8.259 1.00 0.00 C ATOM 1263 CG2 VAL A 82 3.016 -16.038 6.225 1.00 0.00 C ATOM 0 H VAL A 82 3.084 -19.148 7.151 1.00 0.00 H new ATOM 0 HA VAL A 82 0.372 -18.269 6.455 1.00 0.00 H new ATOM 0 HB VAL A 82 0.855 -16.140 6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.869 -15.241 8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.713 -16.569 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.463 -16.883 8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.101 -14.992 6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.851 -16.601 6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.036 -16.111 5.138 1.00 0.00 H new ATOM 1273 N PHE A 83 1.074 -18.186 3.958 1.00 0.00 N ATOM 1274 CA PHE A 83 1.377 -18.469 2.541 1.00 0.00 C ATOM 1275 C PHE A 83 0.791 -17.415 1.574 1.00 0.00 C ATOM 1276 O PHE A 83 0.120 -16.473 1.999 1.00 0.00 O ATOM 1277 CB PHE A 83 0.931 -19.907 2.205 1.00 0.00 C ATOM 1278 CG PHE A 83 -0.548 -20.192 2.394 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -1.473 -19.764 1.427 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -1.010 -20.884 3.530 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -2.847 -19.997 1.583 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -2.389 -21.084 3.708 1.00 0.00 C ATOM 1283 CZ PHE A 83 -3.308 -20.656 2.734 1.00 0.00 C ATOM 0 H PHE A 83 0.148 -17.782 4.097 1.00 0.00 H new ATOM 0 HA PHE A 83 2.455 -18.397 2.397 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.195 -20.118 1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.499 -20.600 2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.119 -19.246 0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.308 -21.259 4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.544 -19.673 0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.747 -21.572 4.603 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.365 -20.833 2.871 1.00 0.00 H new ATOM 1293 N LYS A 84 1.043 -17.557 0.264 1.00 0.00 N ATOM 1294 CA LYS A 84 0.536 -16.675 -0.810 1.00 0.00 C ATOM 1295 C LYS A 84 -0.727 -17.255 -1.482 1.00 0.00 C ATOM 1296 O LYS A 84 -0.798 -18.471 -1.662 1.00 0.00 O ATOM 1297 CB LYS A 84 1.653 -16.393 -1.836 1.00 0.00 C ATOM 1298 CG LYS A 84 2.188 -17.640 -2.566 1.00 0.00 C ATOM 1299 CD LYS A 84 3.276 -17.270 -3.582 1.00 0.00 C ATOM 1300 CE LYS A 84 3.810 -18.538 -4.261 1.00 0.00 C ATOM 1301 NZ LYS A 84 4.832 -18.221 -5.293 1.00 0.00 N ATOM 0 H LYS A 84 1.625 -18.314 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 84 0.238 -15.728 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.277 -15.688 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.482 -15.905 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.592 -18.344 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.368 -18.145 -3.077 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.870 -16.590 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.090 -16.745 -3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.244 -19.198 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.984 -19.080 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.169 -19.102 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.411 -17.612 -6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.632 -17.726 -4.849 1.00 0.00 H new ATOM 1315 N PRO A 85 -1.722 -16.435 -1.871 1.00 0.00 N ATOM 1316 CA PRO A 85 -2.999 -16.933 -2.394 1.00 0.00 C ATOM 1317 C PRO A 85 -2.856 -17.721 -3.710 1.00 0.00 C ATOM 1318 O PRO A 85 -2.204 -17.271 -4.655 1.00 0.00 O ATOM 1319 CB PRO A 85 -3.890 -15.695 -2.551 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.911 -14.524 -2.631 1.00 0.00 C ATOM 1321 CD PRO A 85 -1.739 -14.982 -1.764 1.00 0.00 C ATOM 0 HA PRO A 85 -3.436 -17.659 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.505 -15.760 -3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.570 -15.586 -1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.600 -14.330 -3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.355 -13.603 -2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.800 -14.552 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.869 -14.666 -0.729 1.00 0.00 H new ATOM 1329 N ASN A 86 -3.503 -18.891 -3.776 1.00 0.00 N ATOM 1330 CA ASN A 86 -3.602 -19.792 -4.923 1.00 0.00 C ATOM 1331 C ASN A 86 -5.073 -20.235 -5.125 1.00 0.00 C ATOM 1332 O ASN A 86 -5.993 -19.727 -4.476 1.00 0.00 O ATOM 1333 CB ASN A 86 -2.648 -20.994 -4.713 1.00 0.00 C ATOM 1334 CG ASN A 86 -1.172 -20.638 -4.584 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -0.493 -21.032 -3.646 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -0.604 -19.937 -5.540 1.00 0.00 N ATOM 0 H ASN A 86 -4.007 -19.256 -2.968 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.296 -19.278 -5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.956 -21.529 -3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.767 -21.682 -5.550 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.393 -19.727 -5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.160 -19.603 -6.327 1.00 0.00 H new ATOM 1343 N ALA A 87 -5.295 -21.175 -6.043 1.00 0.00 N ATOM 1344 CA ALA A 87 -6.606 -21.709 -6.429 1.00 0.00 C ATOM 1345 C ALA A 87 -7.393 -22.326 -5.251 1.00 0.00 C ATOM 1346 O ALA A 87 -6.834 -23.022 -4.400 1.00 0.00 O ATOM 1347 CB ALA A 87 -6.395 -22.730 -7.557 1.00 0.00 C ATOM 0 H ALA A 87 -4.532 -21.607 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.224 -20.880 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -7.358 -23.141 -7.861 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.925 -22.239 -8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.752 -23.536 -7.203 1.00 0.00 H new ATOM 1353 N LEU A 88 -8.712 -22.100 -5.235 1.00 0.00 N ATOM 1354 CA LEU A 88 -9.632 -22.436 -4.133 1.00 0.00 C ATOM 1355 C LEU A 88 -9.664 -23.924 -3.743 1.00 0.00 C ATOM 1356 O LEU A 88 -9.838 -24.247 -2.567 1.00 0.00 O ATOM 1357 CB LEU A 88 -11.037 -21.898 -4.480 1.00 0.00 C ATOM 1358 CG LEU A 88 -11.742 -22.616 -5.655 1.00 0.00 C ATOM 1359 CD1 LEU A 88 -12.721 -23.693 -5.177 1.00 0.00 C ATOM 1360 CD2 LEU A 88 -12.540 -21.619 -6.497 1.00 0.00 C ATOM 0 H LEU A 88 -9.191 -21.660 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.249 -21.948 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.668 -21.977 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -10.954 -20.838 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 88 -10.949 -23.080 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.190 -24.167 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.182 -24.443 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -13.489 -23.236 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.028 -22.145 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.295 -21.139 -5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -11.867 -20.862 -6.900 1.00 0.00 H new ATOM 1372 N ASP A 89 -9.468 -24.835 -4.701 1.00 0.00 N ATOM 1373 CA ASP A 89 -9.453 -26.290 -4.471 1.00 0.00 C ATOM 1374 C ASP A 89 -8.249 -26.753 -3.620 1.00 0.00 C ATOM 1375 O ASP A 89 -8.262 -27.845 -3.050 1.00 0.00 O ATOM 1376 CB ASP A 89 -9.490 -27.005 -5.830 1.00 0.00 C ATOM 1377 CG ASP A 89 -9.797 -28.508 -5.699 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -10.875 -28.861 -5.163 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -8.991 -29.343 -6.178 1.00 0.00 O ATOM 0 H ASP A 89 -9.312 -24.581 -5.677 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.336 -26.554 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -10.245 -26.537 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.530 -26.876 -6.331 1.00 0.00 H new ATOM 1384 N TYR A 90 -7.240 -25.884 -3.481 1.00 0.00 N ATOM 1385 CA TYR A 90 -5.999 -26.080 -2.722 1.00 0.00 C ATOM 1386 C TYR A 90 -5.786 -24.999 -1.638 1.00 0.00 C ATOM 1387 O TYR A 90 -4.657 -24.785 -1.191 1.00 0.00 O ATOM 1388 CB TYR A 90 -4.816 -26.142 -3.705 1.00 0.00 C ATOM 1389 CG TYR A 90 -4.970 -27.167 -4.814 1.00 0.00 C ATOM 1390 CD1 TYR A 90 -4.591 -28.506 -4.602 1.00 0.00 C ATOM 1391 CD2 TYR A 90 -5.510 -26.777 -6.056 1.00 0.00 C ATOM 1392 CE1 TYR A 90 -4.750 -29.456 -5.631 1.00 0.00 C ATOM 1393 CE2 TYR A 90 -5.680 -27.724 -7.082 1.00 0.00 C ATOM 1394 CZ TYR A 90 -5.296 -29.068 -6.875 1.00 0.00 C ATOM 1395 OH TYR A 90 -5.438 -29.992 -7.867 1.00 0.00 O ATOM 0 H TYR A 90 -7.271 -24.966 -3.924 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.071 -27.024 -2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.681 -25.158 -4.154 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.907 -26.364 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.178 -28.806 -3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.794 -25.748 -6.220 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.454 -30.482 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.104 -27.424 -8.029 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.829 -29.565 -8.658 1.00 0.00 H new ATOM 1405 N GLY A 91 -6.844 -24.291 -1.207 1.00 0.00 N ATOM 1406 CA GLY A 91 -6.737 -23.123 -0.319 1.00 0.00 C ATOM 1407 C GLY A 91 -6.415 -23.432 1.150 1.00 0.00 C ATOM 1408 O GLY A 91 -6.269 -22.505 1.948 1.00 0.00 O ATOM 0 H GLY A 91 -7.804 -24.516 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.964 -22.462 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.677 -22.572 -0.358 1.00 0.00 H new ATOM 1412 N VAL A 92 -6.344 -24.713 1.531 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.044 -25.164 2.901 1.00 0.00 C ATOM 1414 C VAL A 92 -4.646 -24.747 3.385 1.00 0.00 C ATOM 1415 O VAL A 92 -3.714 -24.592 2.591 1.00 0.00 O ATOM 1416 CB VAL A 92 -6.218 -26.687 3.064 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -7.689 -27.100 2.939 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -5.401 -27.504 2.058 1.00 0.00 C ATOM 0 H VAL A 92 -6.497 -25.485 0.882 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.776 -24.657 3.530 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.846 -26.907 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.775 -28.180 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.274 -26.601 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.065 -26.813 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.571 -28.567 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.709 -27.246 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.341 -27.281 2.183 1.00 0.00 H new ATOM 1428 N CYS A 93 -4.499 -24.605 4.704 1.00 0.00 N ATOM 1429 CA CYS A 93 -3.236 -24.339 5.385 1.00 0.00 C ATOM 1430 C CYS A 93 -2.294 -25.561 5.313 1.00 0.00 C ATOM 1431 O CYS A 93 -2.717 -26.723 5.275 1.00 0.00 O ATOM 1432 CB CYS A 93 -3.580 -23.788 6.786 1.00 0.00 C ATOM 1433 SG CYS A 93 -2.248 -23.902 8.026 1.00 0.00 S ATOM 0 H CYS A 93 -5.287 -24.675 5.348 1.00 0.00 H new ATOM 0 HA CYS A 93 -2.640 -23.570 4.894 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -3.869 -22.742 6.684 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -4.451 -24.324 7.164 1.00 0.00 H new ATOM 1438 N GLU A 94 -0.990 -25.287 5.206 1.00 0.00 N ATOM 1439 CA GLU A 94 0.046 -26.315 5.044 1.00 0.00 C ATOM 1440 C GLU A 94 0.154 -27.216 6.282 1.00 0.00 C ATOM 1441 O GLU A 94 0.352 -28.430 6.171 1.00 0.00 O ATOM 1442 CB GLU A 94 1.413 -25.666 4.796 1.00 0.00 C ATOM 1443 CG GLU A 94 1.526 -24.984 3.431 1.00 0.00 C ATOM 1444 CD GLU A 94 1.623 -26.006 2.279 1.00 0.00 C ATOM 1445 OE1 GLU A 94 2.744 -26.486 1.982 1.00 0.00 O ATOM 1446 OE2 GLU A 94 0.583 -26.338 1.659 1.00 0.00 O ATOM 0 H GLU A 94 -0.619 -24.337 5.229 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.245 -26.923 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.604 -24.931 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.188 -26.428 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.659 -24.342 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.406 -24.340 3.419 1.00 0.00 H new ATOM 1453 N LYS A 95 0.026 -26.603 7.464 1.00 0.00 N ATOM 1454 CA LYS A 95 0.001 -27.275 8.773 1.00 0.00 C ATOM 1455 C LYS A 95 -1.334 -27.976 9.040 1.00 0.00 C ATOM 1456 O LYS A 95 -1.344 -29.169 9.350 1.00 0.00 O ATOM 1457 CB LYS A 95 0.267 -26.270 9.896 1.00 0.00 C ATOM 1458 CG LYS A 95 1.696 -25.716 9.865 1.00 0.00 C ATOM 1459 CD LYS A 95 1.924 -24.712 10.998 1.00 0.00 C ATOM 1460 CE LYS A 95 1.845 -25.334 12.395 1.00 0.00 C ATOM 1461 NZ LYS A 95 3.041 -26.160 12.712 1.00 0.00 N ATOM 0 H LYS A 95 -0.066 -25.590 7.541 1.00 0.00 H new ATOM 0 HA LYS A 95 0.786 -28.031 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.440 -25.445 9.815 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.088 -26.750 10.858 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.409 -26.536 9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.881 -25.234 8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.903 -24.249 10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.183 -23.916 10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.745 -24.543 13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.950 -25.952 12.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.943 -26.560 13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.123 -26.932 12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.894 -25.566 12.671 1.00 0.00 H new ATOM 1475 N CYS A 96 -2.435 -27.224 8.959 1.00 0.00 N ATOM 1476 CA CYS A 96 -3.788 -27.655 9.327 1.00 0.00 C ATOM 1477 C CYS A 96 -4.764 -27.606 8.128 1.00 0.00 C ATOM 1478 O CYS A 96 -4.857 -26.612 7.409 1.00 0.00 O ATOM 1479 CB CYS A 96 -4.237 -26.900 10.597 1.00 0.00 C ATOM 1480 SG CYS A 96 -4.743 -25.185 10.346 1.00 0.00 S ATOM 0 H CYS A 96 -2.408 -26.261 8.623 1.00 0.00 H new ATOM 0 HA CYS A 96 -3.789 -28.712 9.591 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -5.068 -27.443 11.046 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.419 -26.917 11.317 1.00 0.00 H new ATOM 1485 N HIS A 97 -5.464 -28.710 7.846 1.00 0.00 N ATOM 1486 CA HIS A 97 -6.210 -28.878 6.589 1.00 0.00 C ATOM 1487 C HIS A 97 -7.584 -28.171 6.582 1.00 0.00 C ATOM 1488 O HIS A 97 -8.640 -28.799 6.458 1.00 0.00 O ATOM 1489 CB HIS A 97 -6.314 -30.363 6.219 1.00 0.00 C ATOM 1490 CG HIS A 97 -5.009 -31.123 6.279 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -4.799 -32.311 6.947 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -3.826 -30.765 5.687 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -3.516 -32.667 6.762 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -2.885 -31.756 5.999 1.00 0.00 N ATOM 0 H HIS A 97 -5.531 -29.509 8.477 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.636 -28.372 5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.028 -30.841 6.890 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.720 -30.444 5.211 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.651 -29.882 5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.057 -33.557 7.168 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.909 -31.782 5.704 1.00 0.00 H new ATOM 1502 N SER A 98 -7.573 -26.842 6.689 1.00 0.00 N ATOM 1503 CA SER A 98 -8.721 -25.949 6.495 1.00 0.00 C ATOM 1504 C SER A 98 -8.262 -24.634 5.853 1.00 0.00 C ATOM 1505 O SER A 98 -7.096 -24.254 5.967 1.00 0.00 O ATOM 1506 CB SER A 98 -9.418 -25.692 7.835 1.00 0.00 C ATOM 1507 OG SER A 98 -10.584 -24.908 7.631 1.00 0.00 O ATOM 0 H SER A 98 -6.722 -26.332 6.925 1.00 0.00 H new ATOM 0 HA SER A 98 -9.436 -26.424 5.824 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.684 -26.639 8.304 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.739 -25.179 8.516 1.00 0.00 H new ATOM 0 HG SER A 98 -11.026 -24.749 8.491 1.00 0.00 H new ATOM 1513 N LYS A 99 -9.169 -23.939 5.158 1.00 0.00 N ATOM 1514 CA LYS A 99 -8.912 -22.698 4.396 1.00 0.00 C ATOM 1515 C LYS A 99 -9.428 -21.441 5.119 1.00 0.00 C ATOM 1516 O LYS A 99 -9.817 -20.452 4.502 1.00 0.00 O ATOM 1517 CB LYS A 99 -9.352 -22.882 2.927 1.00 0.00 C ATOM 1518 CG LYS A 99 -10.852 -23.115 2.693 1.00 0.00 C ATOM 1519 CD LYS A 99 -11.178 -23.524 1.247 1.00 0.00 C ATOM 1520 CE LYS A 99 -10.739 -24.968 0.955 1.00 0.00 C ATOM 1521 NZ LYS A 99 -11.200 -25.421 -0.382 1.00 0.00 N ATOM 0 H LYS A 99 -10.144 -24.232 5.105 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.840 -22.507 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.051 -21.997 2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.805 -23.727 2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.204 -23.891 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.398 -22.204 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.250 -23.427 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.680 -22.845 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.652 -25.036 1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.138 -25.632 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.052 -26.447 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.212 -25.206 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.659 -24.928 -1.121 1.00 0.00 H new ATOM 1535 N ASN A 100 -9.398 -21.490 6.454 1.00 0.00 N ATOM 1536 CA ASN A 100 -9.784 -20.448 7.421 1.00 0.00 C ATOM 1537 C ASN A 100 -8.888 -19.185 7.440 1.00 0.00 C ATOM 1538 O ASN A 100 -9.104 -18.297 8.265 1.00 0.00 O ATOM 1539 CB ASN A 100 -9.804 -21.104 8.818 1.00 0.00 C ATOM 1540 CG ASN A 100 -8.432 -21.592 9.267 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -8.110 -22.765 9.170 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -7.577 -20.710 9.735 1.00 0.00 N ATOM 0 H ASN A 100 -9.075 -22.332 6.931 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.761 -20.074 7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.184 -20.386 9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.497 -21.945 8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -6.643 -21.006 10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.848 -19.730 9.815 1.00 0.00 H new ATOM 1549 N VAL A 101 -7.837 -19.135 6.620 1.00 0.00 N ATOM 1550 CA VAL A 101 -6.826 -18.068 6.574 1.00 0.00 C ATOM 1551 C VAL A 101 -7.406 -16.675 6.279 1.00 0.00 C ATOM 1552 O VAL A 101 -8.471 -16.545 5.668 1.00 0.00 O ATOM 1553 CB VAL A 101 -5.737 -18.408 5.536 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -4.991 -19.697 5.890 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -6.286 -18.568 4.111 1.00 0.00 C ATOM 0 H VAL A 101 -7.656 -19.870 5.936 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.396 -18.020 7.574 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.059 -17.555 5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.233 -19.899 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.511 -19.584 6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.696 -20.527 5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.468 -18.806 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.020 -19.373 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.760 -17.638 3.797 1.00 0.00 H new ATOM 1565 N ILE A 102 -6.673 -15.627 6.665 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.022 -14.214 6.421 1.00 0.00 C ATOM 1567 C ILE A 102 -5.857 -13.407 5.828 1.00 0.00 C ATOM 1568 O ILE A 102 -4.687 -13.697 6.078 1.00 0.00 O ATOM 1569 CB ILE A 102 -7.564 -13.521 7.693 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -6.562 -13.457 8.871 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -8.931 -14.098 8.103 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -6.496 -14.685 9.793 1.00 0.00 C ATOM 0 H ILE A 102 -5.794 -15.735 7.171 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.818 -14.234 5.677 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.711 -12.476 7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.567 -13.286 8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.809 -12.588 9.480 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -9.286 -13.591 9.000 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.646 -13.948 7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -8.830 -15.164 8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.757 -14.513 10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.473 -14.852 10.246 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.211 -15.562 9.211 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.185 -12.356 5.068 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.235 -11.440 4.436 1.00 0.00 C ATOM 1586 C ILE A 103 -4.632 -10.548 5.527 1.00 0.00 C ATOM 1587 O ILE A 103 -5.333 -9.723 6.121 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.870 -10.572 3.314 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.758 -11.276 2.259 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.714 -9.913 2.540 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -8.134 -11.757 2.739 1.00 0.00 C ATOM 0 H ILE A 103 -7.156 -12.113 4.870 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.465 -12.036 3.947 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.543 -9.900 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.907 -10.590 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.212 -12.136 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.119 -9.293 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.128 -9.293 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.076 -10.686 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.662 -12.233 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.006 -12.475 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.713 -10.905 3.097 1.00 0.00 H new ATOM 1603 N THR A 104 -3.340 -10.727 5.806 1.00 0.00 N ATOM 1604 CA THR A 104 -2.586 -9.942 6.804 1.00 0.00 C ATOM 1605 C THR A 104 -1.671 -8.887 6.158 1.00 0.00 C ATOM 1606 O THR A 104 -1.061 -8.054 6.834 1.00 0.00 O ATOM 1607 CB THR A 104 -1.840 -10.902 7.743 1.00 0.00 C ATOM 1608 OG1 THR A 104 -1.391 -10.249 8.904 1.00 0.00 O ATOM 1609 CG2 THR A 104 -0.664 -11.645 7.105 1.00 0.00 C ATOM 0 H THR A 104 -2.771 -11.433 5.340 1.00 0.00 H new ATOM 0 HA THR A 104 -3.289 -9.361 7.401 1.00 0.00 H new ATOM 0 HB THR A 104 -2.589 -11.653 7.994 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.332 -10.894 9.640 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.201 -12.298 7.845 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.023 -12.243 6.267 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.071 -10.924 6.747 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.590 -8.905 4.827 1.00 0.00 N ATOM 1618 CA GLN A 105 -0.738 -8.073 3.981 1.00 0.00 C ATOM 1619 C GLN A 105 -1.347 -8.071 2.576 1.00 0.00 C ATOM 1620 O GLN A 105 -1.647 -9.139 2.040 1.00 0.00 O ATOM 1621 CB GLN A 105 0.685 -8.671 3.994 1.00 0.00 C ATOM 1622 CG GLN A 105 1.616 -8.270 2.839 1.00 0.00 C ATOM 1623 CD GLN A 105 1.805 -6.764 2.686 1.00 0.00 C ATOM 1624 OE1 GLN A 105 2.055 -6.035 3.637 1.00 0.00 O ATOM 1625 NE2 GLN A 105 1.674 -6.235 1.490 1.00 0.00 N ATOM 0 H GLN A 105 -2.158 -9.547 4.275 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.674 -7.044 4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.164 -8.387 4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.597 -9.757 3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.590 -8.734 2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.216 -8.672 1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.466 -6.831 0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.781 -5.229 1.363 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.512 -6.892 1.976 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.922 -6.747 0.576 1.00 0.00 C ATOM 1636 C GLY A 106 -3.432 -6.612 0.335 1.00 0.00 C ATOM 1637 O GLY A 106 -3.880 -6.749 -0.804 1.00 0.00 O ATOM 0 H GLY A 106 -1.364 -6.002 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.427 -5.869 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.560 -7.611 0.019 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.218 -6.339 1.384 1.00 0.00 N ATOM 1642 CA ASN A 107 -5.667 -6.105 1.333 1.00 0.00 C ATOM 1643 C ASN A 107 -6.031 -4.981 0.344 1.00 0.00 C ATOM 1644 O ASN A 107 -6.984 -5.086 -0.429 1.00 0.00 O ATOM 1645 CB ASN A 107 -6.164 -5.702 2.740 1.00 0.00 C ATOM 1646 CG ASN A 107 -5.900 -6.711 3.842 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -4.765 -7.022 4.178 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -6.933 -7.213 4.472 1.00 0.00 N ATOM 0 H ASN A 107 -3.846 -6.272 2.331 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.143 -7.026 0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.693 -4.758 3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.237 -5.520 2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.792 -7.864 5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.878 -6.952 4.190 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.279 -3.882 0.424 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.480 -2.612 -0.271 1.00 0.00 C ATOM 1657 C GLU A 108 -4.151 -1.843 -0.426 1.00 0.00 C ATOM 1658 O GLU A 108 -3.130 -2.208 0.170 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.537 -1.795 0.495 1.00 0.00 C ATOM 1660 CG GLU A 108 -6.227 -1.545 1.980 1.00 0.00 C ATOM 1661 CD GLU A 108 -7.324 -0.676 2.624 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -8.387 -1.220 3.014 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -7.132 0.558 2.759 1.00 0.00 O ATOM 0 H GLU A 108 -4.452 -3.856 1.021 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.842 -2.797 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.657 -0.832 -0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.494 -2.312 0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.153 -2.496 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.260 -1.051 2.077 1.00 0.00 H new ATOM 1670 N MET A 109 -4.157 -0.766 -1.217 1.00 0.00 N ATOM 1671 CA MET A 109 -3.006 0.132 -1.403 1.00 0.00 C ATOM 1672 C MET A 109 -2.628 0.913 -0.127 1.00 0.00 C ATOM 1673 O MET A 109 -3.417 1.015 0.819 1.00 0.00 O ATOM 1674 CB MET A 109 -3.287 1.076 -2.586 1.00 0.00 C ATOM 1675 CG MET A 109 -4.294 2.186 -2.272 1.00 0.00 C ATOM 1676 SD MET A 109 -3.584 3.667 -1.507 1.00 0.00 S ATOM 1677 CE MET A 109 -2.888 4.471 -2.973 1.00 0.00 C ATOM 0 H MET A 109 -4.976 -0.486 -1.757 1.00 0.00 H new ATOM 0 HA MET A 109 -2.135 -0.484 -1.627 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.349 1.530 -2.906 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.659 0.489 -3.426 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.793 2.476 -3.197 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.060 1.784 -1.609 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.303 5.339 -2.669 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.246 3.768 -3.503 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.696 4.791 -3.631 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.427 1.507 -0.123 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.905 2.408 0.925 1.00 0.00 C ATOM 1689 C ARG A 110 0.242 3.283 0.409 1.00 0.00 C ATOM 1690 O ARG A 110 1.073 2.821 -0.372 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.448 1.582 2.147 1.00 0.00 C ATOM 1692 CG ARG A 110 0.584 0.485 1.820 1.00 0.00 C ATOM 1693 CD ARG A 110 0.929 -0.333 3.067 1.00 0.00 C ATOM 1694 NE ARG A 110 1.850 -1.434 2.733 1.00 0.00 N ATOM 1695 CZ ARG A 110 2.025 -2.566 3.382 1.00 0.00 C ATOM 1696 NH1 ARG A 110 1.399 -2.868 4.484 1.00 0.00 N ATOM 1697 NH2 ARG A 110 2.846 -3.442 2.900 1.00 0.00 N ATOM 0 H ARG A 110 -0.760 1.369 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.712 3.078 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.021 2.257 2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.322 1.118 2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.188 -0.173 1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.489 0.940 1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.385 0.314 3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.017 -0.737 3.506 1.00 0.00 H new ATOM 0 HE ARG A 110 2.421 -1.303 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.732 -2.211 4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.576 -3.762 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.345 -3.250 2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.995 -4.325 3.389 1.00 0.00 H new ATOM 1711 N LEU A 111 0.346 4.526 0.883 1.00 0.00 N ATOM 1712 CA LEU A 111 1.576 5.314 0.720 1.00 0.00 C ATOM 1713 C LEU A 111 2.717 4.714 1.566 1.00 0.00 C ATOM 1714 O LEU A 111 2.476 4.147 2.634 1.00 0.00 O ATOM 1715 CB LEU A 111 1.301 6.809 0.985 1.00 0.00 C ATOM 1716 CG LEU A 111 0.990 7.209 2.443 1.00 0.00 C ATOM 1717 CD1 LEU A 111 2.251 7.565 3.237 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.088 8.444 2.461 1.00 0.00 C ATOM 0 H LEU A 111 -0.401 5.010 1.381 1.00 0.00 H new ATOM 0 HA LEU A 111 1.918 5.260 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.169 7.379 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.461 7.116 0.361 1.00 0.00 H new ATOM 0 HG LEU A 111 0.509 6.345 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.975 7.839 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.920 6.705 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.756 8.405 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.128 8.722 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.593 9.271 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.844 8.221 1.942 1.00 0.00 H new ATOM 1730 N LEU A 112 3.955 4.847 1.087 1.00 0.00 N ATOM 1731 CA LEU A 112 5.174 4.335 1.728 1.00 0.00 C ATOM 1732 C LEU A 112 6.015 5.497 2.280 1.00 0.00 C ATOM 1733 O LEU A 112 6.261 5.567 3.487 1.00 0.00 O ATOM 1734 CB LEU A 112 5.974 3.472 0.725 1.00 0.00 C ATOM 1735 CG LEU A 112 5.703 1.956 0.792 1.00 0.00 C ATOM 1736 CD1 LEU A 112 4.227 1.591 0.659 1.00 0.00 C ATOM 1737 CD2 LEU A 112 6.464 1.254 -0.334 1.00 0.00 C ATOM 0 H LEU A 112 4.146 5.331 0.210 1.00 0.00 H new ATOM 0 HA LEU A 112 4.901 3.700 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.752 3.819 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.037 3.641 0.894 1.00 0.00 H new ATOM 0 HG LEU A 112 6.037 1.631 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.113 0.508 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.663 2.058 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.849 1.946 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.274 0.182 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.129 1.641 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.532 1.438 -0.221 1.00 0.00 H new ATOM 1749 N SER A 113 6.442 6.405 1.397 1.00 0.00 N ATOM 1750 CA SER A 113 7.334 7.540 1.691 1.00 0.00 C ATOM 1751 C SER A 113 7.088 8.707 0.722 1.00 0.00 C ATOM 1752 O SER A 113 6.355 8.572 -0.255 1.00 0.00 O ATOM 1753 CB SER A 113 8.809 7.105 1.562 1.00 0.00 C ATOM 1754 OG SER A 113 9.126 5.983 2.373 1.00 0.00 O ATOM 0 H SER A 113 6.166 6.371 0.416 1.00 0.00 H new ATOM 0 HA SER A 113 7.122 7.866 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.023 6.866 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.454 7.940 1.836 1.00 0.00 H new ATOM 0 HG SER A 113 10.070 5.748 2.252 1.00 0.00 H new ATOM 1760 N LEU A 114 7.765 9.837 0.937 1.00 0.00 N ATOM 1761 CA LEU A 114 8.029 10.861 -0.084 1.00 0.00 C ATOM 1762 C LEU A 114 9.546 10.896 -0.378 1.00 0.00 C ATOM 1763 O LEU A 114 10.354 10.346 0.373 1.00 0.00 O ATOM 1764 CB LEU A 114 7.572 12.247 0.427 1.00 0.00 C ATOM 1765 CG LEU A 114 6.139 12.346 0.980 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.854 13.782 1.421 1.00 0.00 C ATOM 1767 CD2 LEU A 114 5.099 11.959 -0.063 1.00 0.00 C ATOM 0 H LEU A 114 8.156 10.074 1.849 1.00 0.00 H new ATOM 0 HA LEU A 114 7.478 10.619 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.261 12.564 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.670 12.960 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 114 6.070 11.656 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.839 13.848 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.561 14.071 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.959 14.452 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.102 12.043 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.180 12.625 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.270 10.931 -0.384 1.00 0.00 H new ATOM 1779 N GLU A 115 9.944 11.615 -1.421 1.00 0.00 N ATOM 1780 CA GLU A 115 11.325 11.946 -1.780 1.00 0.00 C ATOM 1781 C GLU A 115 11.374 13.428 -2.172 1.00 0.00 C ATOM 1782 O GLU A 115 10.530 13.892 -2.939 1.00 0.00 O ATOM 1783 CB GLU A 115 11.794 11.033 -2.929 1.00 0.00 C ATOM 1784 CG GLU A 115 13.270 11.225 -3.301 1.00 0.00 C ATOM 1785 CD GLU A 115 13.698 10.222 -4.390 1.00 0.00 C ATOM 1786 OE1 GLU A 115 13.284 10.360 -5.565 1.00 0.00 O ATOM 1787 OE2 GLU A 115 14.455 9.267 -4.094 1.00 0.00 O ATOM 0 H GLU A 115 9.273 12.008 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 115 11.999 11.782 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.631 9.993 -2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.178 11.224 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.430 12.243 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.892 11.094 -2.416 1.00 0.00 H new ATOM 1794 N MET A 116 12.338 14.180 -1.641 1.00 0.00 N ATOM 1795 CA MET A 116 12.491 15.626 -1.849 1.00 0.00 C ATOM 1796 C MET A 116 13.939 15.955 -2.220 1.00 0.00 C ATOM 1797 O MET A 116 14.874 15.557 -1.522 1.00 0.00 O ATOM 1798 CB MET A 116 12.066 16.395 -0.584 1.00 0.00 C ATOM 1799 CG MET A 116 10.592 16.206 -0.204 1.00 0.00 C ATOM 1800 SD MET A 116 10.151 16.985 1.375 1.00 0.00 S ATOM 1801 CE MET A 116 8.425 16.458 1.522 1.00 0.00 C ATOM 0 H MET A 116 13.059 13.790 -1.034 1.00 0.00 H new ATOM 0 HA MET A 116 11.845 15.934 -2.671 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.690 16.074 0.250 1.00 0.00 H new ATOM 0 HB3 MET A 116 12.258 17.457 -0.735 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.965 16.620 -0.993 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.372 15.140 -0.149 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.054 16.700 2.518 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.822 16.975 0.775 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.358 15.382 1.361 1.00 0.00 H new ATOM 1811 N LEU A 117 14.114 16.681 -3.326 1.00 0.00 N ATOM 1812 CA LEU A 117 15.399 17.108 -3.884 1.00 0.00 C ATOM 1813 C LEU A 117 15.348 18.586 -4.302 1.00 0.00 C ATOM 1814 O LEU A 117 14.300 19.089 -4.712 1.00 0.00 O ATOM 1815 CB LEU A 117 15.733 16.220 -5.101 1.00 0.00 C ATOM 1816 CG LEU A 117 16.149 14.766 -4.799 1.00 0.00 C ATOM 1817 CD1 LEU A 117 16.546 14.073 -6.104 1.00 0.00 C ATOM 1818 CD2 LEU A 117 17.357 14.660 -3.862 1.00 0.00 C ATOM 0 H LEU A 117 13.324 17.003 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 117 16.174 17.002 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 117 14.862 16.197 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 117 16.539 16.696 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 117 15.290 14.301 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.841 13.045 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.699 14.075 -6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 117 17.382 14.605 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 117 17.595 13.610 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 117 18.214 15.158 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 117 17.122 15.137 -2.910 1.00 0.00 H new ATOM 1830 N ALA A 118 16.492 19.273 -4.239 1.00 0.00 N ATOM 1831 CA ALA A 118 16.650 20.652 -4.710 1.00 0.00 C ATOM 1832 C ALA A 118 16.595 20.742 -6.250 1.00 0.00 C ATOM 1833 O ALA A 118 15.796 21.498 -6.812 1.00 0.00 O ATOM 1834 CB ALA A 118 17.969 21.203 -4.152 1.00 0.00 C ATOM 0 H ALA A 118 17.350 18.879 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 118 15.820 21.259 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 118 18.107 22.230 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 118 17.941 21.181 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 118 18.798 20.590 -4.506 1.00 0.00 H new ATOM 1840 N GLU A 119 17.439 19.954 -6.926 1.00 0.00 N ATOM 1841 CA GLU A 119 17.596 19.897 -8.386 1.00 0.00 C ATOM 1842 C GLU A 119 16.332 19.352 -9.068 1.00 0.00 C ATOM 1843 O GLU A 119 16.135 19.523 -10.279 1.00 0.00 O ATOM 1844 CB GLU A 119 18.817 19.025 -8.746 1.00 0.00 C ATOM 1845 CG GLU A 119 20.159 19.556 -8.214 1.00 0.00 C ATOM 1846 CD GLU A 119 20.525 20.932 -8.807 1.00 0.00 C ATOM 1847 OE1 GLU A 119 20.983 20.992 -9.974 1.00 0.00 O ATOM 1848 OE2 GLU A 119 20.369 21.964 -8.109 1.00 0.00 O ATOM 0 H GLU A 119 18.063 19.305 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 119 17.755 20.912 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.658 18.020 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.879 18.939 -9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 119 20.111 19.633 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 119 20.948 18.841 -8.448 1.00 0.00 H new TER 1855 GLU A 119 HETATM 1856 ZN ZN A 120 -3.273 -23.560 9.980 1.00 0.00 ZN