USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 855 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 92 LYS NZ :NH3+ -134:sc= -1.14! (180deg=-1.21!) USER MOD Set 1.2: A 94 SER OG : rot 170:sc= -1.79! USER MOD Set 2.1: A 88 HIS : no HE2:sc= -4.38! C(o=-3.5!,f=-22!) USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0.911 USER MOD Set 3.1: A 21 ASN : amide:sc= -6.11! C(o=-5.3!,f=-6.5!) USER MOD Set 3.2: A 115 TYR OH : rot 180:sc= 0.839 USER MOD Single : A 5 SER OG : rot -23:sc= 0.571 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.97! C(o=-2!,f=-11!) USER MOD Single : A 12 ASN : amide:sc= -2.71! K(o=-2.7!,f=-1.7) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -167:sc= -0.0348 (180deg=-0.581) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 90:sc= 1.13 USER MOD Single : A 29 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.26) USER MOD Single : A 30 CYS SG : rot 110:sc= -3.52! USER MOD Single : A 35 THR OG1 : rot 50:sc= 1.08 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= -0.185 (180deg=-2.04!) USER MOD Single : A 43 TYR OH : rot 126:sc= 1.01 USER MOD Single : A 60 SER OG : rot -68:sc= -0.469 USER MOD Single : A 61 THR OG1 : rot 21:sc= -1.28 USER MOD Single : A 62 LYS NZ :NH3+ -148:sc= 0.0471 (180deg=-0.25) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -147:sc= 0.984 (180deg=-0.26!) USER MOD Single : A 70 THR OG1 : rot 159:sc= 0.53 USER MOD Single : A 71 HIS : no HD1:sc= -6.34! C(o=-6.3!,f=-11!) USER MOD Single : A 72 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-18!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 144:sc= -1.67 (180deg=-3.29!) USER MOD Single : A 77 HIS : no HE2:sc= -9.51! C(o=-9.5!,f=-18!) USER MOD Single : A 80 SER OG : rot -27:sc= -1.15! USER MOD Single : A 81 LYS NZ :NH3+ 172:sc= 1.34 (180deg=1.27) USER MOD Single : A 82 LYS NZ :NH3+ 131:sc= 0.554 (180deg=-2.19!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.39 K(o=-1.4,f=-7.7!) USER MOD Single : A 104 ASN : amide:sc= -5.13! C(o=-5.1!,f=-14!) USER MOD Single : A 105 MET CE :methyl 154:sc= -2.29 (180deg=-4.95!) USER MOD Single : A 113 LYS NZ :NH3+ -144:sc= 0.879 (180deg=-1.47!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.501! USER MOD Single : A 119 LYS NZ :NH3+ -159:sc= -0.419 (180deg=-1.62!) USER MOD Single : A 121 LYS NZ :NH3+ -153:sc= -0.645 (180deg=-2.98) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.521 -1.792 16.539 1.00 0.00 N ATOM 43 CA SER A 5 0.770 -0.865 15.703 1.00 0.00 C ATOM 44 C SER A 5 1.515 -0.485 14.434 1.00 0.00 C ATOM 45 O SER A 5 1.007 0.295 13.626 1.00 0.00 O ATOM 46 CB SER A 5 0.446 0.389 16.506 1.00 0.00 C ATOM 47 OG SER A 5 1.564 0.711 17.344 1.00 0.00 O ATOM 0 HA SER A 5 -0.146 -1.369 15.396 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.228 1.220 15.835 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.445 0.227 17.113 1.00 0.00 H new ATOM 0 HG SER A 5 2.104 -0.093 17.492 1.00 0.00 H new ATOM 53 N GLY A 6 2.737 -0.960 14.290 1.00 0.00 N ATOM 54 CA GLY A 6 3.559 -0.559 13.160 1.00 0.00 C ATOM 55 C GLY A 6 2.822 -0.764 11.846 1.00 0.00 C ATOM 56 O GLY A 6 2.782 0.137 11.010 1.00 0.00 O ATOM 0 H GLY A 6 3.181 -1.617 14.932 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.839 0.489 13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.483 -1.137 13.156 1.00 0.00 H new ATOM 60 N ASP A 7 2.142 -1.898 11.708 1.00 0.00 N ATOM 61 CA ASP A 7 1.341 -2.146 10.509 1.00 0.00 C ATOM 62 C ASP A 7 0.219 -1.141 10.418 1.00 0.00 C ATOM 63 O ASP A 7 -0.003 -0.541 9.374 1.00 0.00 O ATOM 64 CB ASP A 7 0.745 -3.567 10.518 1.00 0.00 C ATOM 65 CG ASP A 7 -0.119 -3.799 11.755 1.00 0.00 C ATOM 66 OD1 ASP A 7 0.041 -3.085 12.725 1.00 0.00 O ATOM 67 OD2 ASP A 7 -0.924 -4.689 11.721 1.00 0.00 O ATOM 0 H ASP A 7 2.127 -2.650 12.397 1.00 0.00 H new ATOM 0 HA ASP A 7 1.999 -2.048 9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.146 -3.718 9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.550 -4.301 10.491 1.00 0.00 H new ATOM 72 N THR A 8 -0.427 -0.908 11.534 1.00 0.00 N ATOM 73 CA THR A 8 -1.495 0.060 11.599 1.00 0.00 C ATOM 74 C THR A 8 -0.950 1.440 11.281 1.00 0.00 C ATOM 75 O THR A 8 -1.497 2.169 10.445 1.00 0.00 O ATOM 76 CB THR A 8 -2.104 0.049 13.004 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.384 -1.297 13.389 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.398 0.871 13.022 1.00 0.00 C ATOM 0 H THR A 8 -0.230 -1.380 12.417 1.00 0.00 H new ATOM 0 HA THR A 8 -2.266 -0.194 10.871 1.00 0.00 H new ATOM 0 HB THR A 8 -1.395 0.489 13.705 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.772 -1.306 14.289 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.824 0.857 14.025 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.180 1.899 12.734 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.112 0.441 12.319 1.00 0.00 H new ATOM 86 N GLN A 9 0.159 1.776 11.913 1.00 0.00 N ATOM 87 CA GLN A 9 0.790 3.050 11.692 1.00 0.00 C ATOM 88 C GLN A 9 1.238 3.163 10.263 1.00 0.00 C ATOM 89 O GLN A 9 0.888 4.111 9.569 1.00 0.00 O ATOM 90 CB GLN A 9 2.009 3.184 12.612 1.00 0.00 C ATOM 91 CG GLN A 9 1.609 3.883 13.910 1.00 0.00 C ATOM 92 CD GLN A 9 1.817 5.387 13.760 1.00 0.00 C ATOM 93 OE1 GLN A 9 2.873 5.915 14.131 1.00 0.00 O ATOM 94 NE2 GLN A 9 0.905 6.104 13.193 1.00 0.00 N ATOM 0 H GLN A 9 0.638 1.177 12.585 1.00 0.00 H new ATOM 0 HA GLN A 9 0.073 3.842 11.909 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.419 2.198 12.832 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.793 3.751 12.110 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.566 3.670 14.144 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.205 3.503 14.739 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.034 5.672 12.886 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.056 7.103 13.052 1.00 0.00 H new ATOM 103 N LEU A 10 1.946 2.163 9.797 1.00 0.00 N ATOM 104 CA LEU A 10 2.410 2.181 8.437 1.00 0.00 C ATOM 105 C LEU A 10 1.246 2.155 7.473 1.00 0.00 C ATOM 106 O LEU A 10 1.226 2.908 6.506 1.00 0.00 O ATOM 107 CB LEU A 10 3.414 1.067 8.156 1.00 0.00 C ATOM 108 CG LEU A 10 4.696 1.313 8.987 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.775 0.322 8.585 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.216 2.749 8.795 1.00 0.00 C ATOM 0 H LEU A 10 2.210 1.337 10.334 1.00 0.00 H new ATOM 0 HA LEU A 10 2.946 3.118 8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.982 0.099 8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.655 1.039 7.093 1.00 0.00 H new ATOM 0 HG LEU A 10 4.447 1.175 10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.673 0.503 9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.421 -0.693 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.005 0.444 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.117 2.892 9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.447 2.915 7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.453 3.458 9.115 1.00 0.00 H new ATOM 122 N PHE A 11 0.229 1.361 7.790 1.00 0.00 N ATOM 123 CA PHE A 11 -0.985 1.340 6.986 1.00 0.00 C ATOM 124 C PHE A 11 -1.622 2.712 6.953 1.00 0.00 C ATOM 125 O PHE A 11 -1.900 3.247 5.879 1.00 0.00 O ATOM 126 CB PHE A 11 -1.984 0.330 7.566 1.00 0.00 C ATOM 127 CG PHE A 11 -3.345 0.530 6.929 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.605 0.049 5.641 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.346 1.212 7.637 1.00 0.00 C ATOM 130 CE1 PHE A 11 -4.862 0.253 5.064 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.600 1.412 7.060 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.860 0.935 5.773 1.00 0.00 C ATOM 0 H PHE A 11 0.221 0.729 8.591 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.719 1.046 5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.634 -0.686 7.386 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.056 0.455 8.646 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.837 -0.478 5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.145 1.583 8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.064 -0.116 4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.370 1.935 7.608 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.830 1.092 5.325 1.00 0.00 H new ATOM 142 N ASN A 12 -1.797 3.305 8.125 1.00 0.00 N ATOM 143 CA ASN A 12 -2.407 4.627 8.217 1.00 0.00 C ATOM 144 C ASN A 12 -1.552 5.627 7.490 1.00 0.00 C ATOM 145 O ASN A 12 -2.042 6.458 6.722 1.00 0.00 O ATOM 146 CB ASN A 12 -2.496 5.051 9.681 1.00 0.00 C ATOM 147 CG ASN A 12 -3.606 4.299 10.387 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.698 4.133 9.840 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.391 3.816 11.560 1.00 0.00 N ATOM 0 H ASN A 12 -1.528 2.897 9.020 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.403 4.588 7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.546 4.860 10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.679 6.124 9.744 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.125 3.294 12.039 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.487 3.955 12.011 1.00 0.00 H new ATOM 156 N ARG A 13 -0.268 5.527 7.722 1.00 0.00 N ATOM 157 CA ARG A 13 0.684 6.400 7.091 1.00 0.00 C ATOM 158 C ARG A 13 0.694 6.143 5.586 1.00 0.00 C ATOM 159 O ARG A 13 0.559 7.062 4.790 1.00 0.00 O ATOM 160 CB ARG A 13 2.051 6.100 7.702 1.00 0.00 C ATOM 161 CG ARG A 13 2.049 6.580 9.164 1.00 0.00 C ATOM 162 CD ARG A 13 3.288 6.052 9.891 1.00 0.00 C ATOM 163 NE ARG A 13 3.277 6.462 11.295 1.00 0.00 N ATOM 164 CZ ARG A 13 3.751 7.636 11.705 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.228 8.480 10.835 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.730 7.932 12.975 1.00 0.00 N ATOM 0 H ARG A 13 0.145 4.839 8.352 1.00 0.00 H new ATOM 0 HA ARG A 13 0.426 7.447 7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.261 5.031 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.836 6.604 7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.034 7.669 9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.147 6.234 9.668 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.319 4.964 9.825 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.189 6.427 9.405 1.00 0.00 H new ATOM 0 HE ARG A 13 2.890 5.822 11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.237 8.240 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.592 9.381 11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.352 7.265 13.648 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.092 8.830 13.295 1.00 0.00 H new ATOM 180 N ALA A 14 0.745 4.866 5.210 1.00 0.00 N ATOM 181 CA ALA A 14 0.728 4.473 3.803 1.00 0.00 C ATOM 182 C ALA A 14 -0.570 4.871 3.132 1.00 0.00 C ATOM 183 O ALA A 14 -0.561 5.491 2.065 1.00 0.00 O ATOM 184 CB ALA A 14 0.936 2.963 3.664 1.00 0.00 C ATOM 0 H ALA A 14 0.799 4.084 5.863 1.00 0.00 H new ATOM 0 HA ALA A 14 1.546 4.997 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.920 2.689 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.898 2.687 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.138 2.436 4.188 1.00 0.00 H new ATOM 190 N VAL A 15 -1.685 4.521 3.753 1.00 0.00 N ATOM 191 CA VAL A 15 -2.980 4.832 3.193 1.00 0.00 C ATOM 192 C VAL A 15 -3.167 6.345 3.109 1.00 0.00 C ATOM 193 O VAL A 15 -3.653 6.868 2.102 1.00 0.00 O ATOM 194 CB VAL A 15 -4.109 4.151 4.008 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.484 4.984 5.232 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.351 3.953 3.130 1.00 0.00 C ATOM 0 H VAL A 15 -1.714 4.023 4.643 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.034 4.435 2.179 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.739 3.182 4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.278 4.482 5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.611 5.099 5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.830 5.966 4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.137 3.474 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.703 4.921 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.097 3.323 2.277 1.00 0.00 H new ATOM 206 N SER A 16 -2.684 7.056 4.121 1.00 0.00 N ATOM 207 CA SER A 16 -2.776 8.492 4.121 1.00 0.00 C ATOM 208 C SER A 16 -2.011 9.056 2.945 1.00 0.00 C ATOM 209 O SER A 16 -2.498 9.936 2.237 1.00 0.00 O ATOM 210 CB SER A 16 -2.215 9.054 5.438 1.00 0.00 C ATOM 211 OG SER A 16 -2.354 10.477 5.468 1.00 0.00 O ATOM 0 H SER A 16 -2.230 6.656 4.942 1.00 0.00 H new ATOM 0 HA SER A 16 -3.823 8.783 4.033 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.742 8.612 6.284 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.164 8.782 5.539 1.00 0.00 H new ATOM 0 HG SER A 16 -1.995 10.823 6.312 1.00 0.00 H new ATOM 217 N MET A 17 -0.807 8.560 2.724 1.00 0.00 N ATOM 218 CA MET A 17 -0.013 9.085 1.638 1.00 0.00 C ATOM 219 C MET A 17 -0.665 8.806 0.288 1.00 0.00 C ATOM 220 O MET A 17 -0.690 9.682 -0.581 1.00 0.00 O ATOM 221 CB MET A 17 1.421 8.544 1.672 1.00 0.00 C ATOM 222 CG MET A 17 2.103 8.981 2.967 1.00 0.00 C ATOM 223 SD MET A 17 3.873 8.577 2.890 1.00 0.00 S ATOM 224 CE MET A 17 3.744 6.787 3.131 1.00 0.00 C ATOM 0 H MET A 17 -0.370 7.815 3.267 1.00 0.00 H new ATOM 0 HA MET A 17 0.037 10.166 1.771 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.412 7.456 1.603 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.980 8.913 0.812 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.970 10.053 3.116 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.642 8.481 3.819 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.731 6.377 3.346 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.075 6.580 3.966 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.348 6.326 2.226 1.00 0.00 H new ATOM 234 N VAL A 18 -1.172 7.591 0.103 1.00 0.00 N ATOM 235 CA VAL A 18 -1.800 7.231 -1.170 1.00 0.00 C ATOM 236 C VAL A 18 -3.169 7.881 -1.367 1.00 0.00 C ATOM 237 O VAL A 18 -3.456 8.396 -2.448 1.00 0.00 O ATOM 238 CB VAL A 18 -1.876 5.710 -1.372 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.469 5.113 -1.333 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.725 5.076 -0.275 1.00 0.00 C ATOM 0 H VAL A 18 -1.163 6.849 0.803 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.145 7.635 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.333 5.507 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.527 4.034 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.135 5.553 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.010 5.326 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.772 3.998 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.279 5.285 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.732 5.491 -0.309 1.00 0.00 H new ATOM 250 N GLU A 19 -4.018 7.871 -0.331 1.00 0.00 N ATOM 251 CA GLU A 19 -5.355 8.442 -0.482 1.00 0.00 C ATOM 252 C GLU A 19 -5.258 9.907 -0.788 1.00 0.00 C ATOM 253 O GLU A 19 -6.146 10.476 -1.405 1.00 0.00 O ATOM 254 CB GLU A 19 -6.224 8.287 0.771 1.00 0.00 C ATOM 255 CG GLU A 19 -6.578 6.823 1.035 1.00 0.00 C ATOM 256 CD GLU A 19 -7.543 6.730 2.215 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.930 7.771 2.734 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.900 5.638 2.576 1.00 0.00 O ATOM 0 H GLU A 19 -3.810 7.486 0.591 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.824 7.891 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.696 8.695 1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.139 8.867 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.031 6.383 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.673 6.253 1.247 1.00 0.00 H new ATOM 265 N LYS A 20 -4.285 10.550 -0.201 1.00 0.00 N ATOM 266 CA LYS A 20 -4.180 11.990 -0.286 1.00 0.00 C ATOM 267 C LYS A 20 -3.272 12.379 -1.453 1.00 0.00 C ATOM 268 O LYS A 20 -3.009 13.564 -1.691 1.00 0.00 O ATOM 269 CB LYS A 20 -3.665 12.539 1.045 1.00 0.00 C ATOM 270 CG LYS A 20 -4.494 11.904 2.190 1.00 0.00 C ATOM 271 CD LYS A 20 -5.973 12.308 2.118 1.00 0.00 C ATOM 272 CE LYS A 20 -6.789 11.334 2.994 1.00 0.00 C ATOM 273 NZ LYS A 20 -8.160 11.857 3.204 1.00 0.00 N ATOM 0 H LYS A 20 -3.549 10.102 0.344 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.161 12.427 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.607 12.305 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.756 13.625 1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.411 10.818 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.080 12.210 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.104 13.332 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.325 12.276 1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.835 10.355 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.294 11.196 3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.698 11.192 3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.110 12.781 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.635 11.966 2.285 1.00 0.00 H new ATOM 287 N ASN A 21 -2.864 11.371 -2.227 1.00 0.00 N ATOM 288 CA ASN A 21 -2.041 11.585 -3.415 1.00 0.00 C ATOM 289 C ASN A 21 -2.917 11.954 -4.605 1.00 0.00 C ATOM 290 O ASN A 21 -3.787 11.182 -5.020 1.00 0.00 O ATOM 291 CB ASN A 21 -1.225 10.330 -3.727 1.00 0.00 C ATOM 292 CG ASN A 21 -0.255 10.596 -4.867 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.617 11.212 -5.872 1.00 0.00 O ATOM 294 ND2 ASN A 21 0.967 10.183 -4.763 1.00 0.00 N ATOM 0 H ASN A 21 -3.093 10.393 -2.049 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.354 12.408 -3.219 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.675 10.016 -2.840 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.893 9.511 -3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.633 10.367 -5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.264 9.674 -3.931 1.00 0.00 H new ATOM 301 N LYS A 22 -2.767 13.184 -5.064 1.00 0.00 N ATOM 302 CA LYS A 22 -3.630 13.750 -6.095 1.00 0.00 C ATOM 303 C LYS A 22 -3.715 12.874 -7.344 1.00 0.00 C ATOM 304 O LYS A 22 -4.814 12.658 -7.889 1.00 0.00 O ATOM 305 CB LYS A 22 -3.174 15.184 -6.442 1.00 0.00 C ATOM 306 CG LYS A 22 -1.974 15.180 -7.422 1.00 0.00 C ATOM 307 CD LYS A 22 -0.720 14.545 -6.777 1.00 0.00 C ATOM 308 CE LYS A 22 -0.119 15.493 -5.735 1.00 0.00 C ATOM 309 NZ LYS A 22 1.301 15.143 -5.503 1.00 0.00 N ATOM 0 H LYS A 22 -2.043 13.822 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.640 13.790 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.005 15.733 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.896 15.709 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.240 14.628 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.749 16.202 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.985 13.598 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.020 14.323 -7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.198 16.524 -6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.678 15.425 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.706 15.788 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.365 14.164 -5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.830 15.230 -6.394 1.00 0.00 H new ATOM 323 N ASP A 23 -2.576 12.385 -7.813 1.00 0.00 N ATOM 324 CA ASP A 23 -2.561 11.546 -8.995 1.00 0.00 C ATOM 325 C ASP A 23 -3.348 10.287 -8.717 1.00 0.00 C ATOM 326 O ASP A 23 -4.271 9.938 -9.452 1.00 0.00 O ATOM 327 CB ASP A 23 -1.113 11.191 -9.393 1.00 0.00 C ATOM 328 CG ASP A 23 -1.052 10.591 -10.801 1.00 0.00 C ATOM 329 OD1 ASP A 23 -2.054 10.097 -11.280 1.00 0.00 O ATOM 330 OD2 ASP A 23 0.009 10.644 -11.389 1.00 0.00 O ATOM 0 H ASP A 23 -1.661 12.554 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.016 12.088 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.492 12.086 -9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.700 10.482 -8.675 1.00 0.00 H new ATOM 335 N ILE A 24 -3.063 9.678 -7.578 1.00 0.00 N ATOM 336 CA ILE A 24 -3.766 8.482 -7.175 1.00 0.00 C ATOM 337 C ILE A 24 -5.248 8.770 -6.971 1.00 0.00 C ATOM 338 O ILE A 24 -6.087 8.034 -7.456 1.00 0.00 O ATOM 339 CB ILE A 24 -3.149 7.876 -5.908 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.739 7.357 -6.220 1.00 0.00 C ATOM 341 CG2 ILE A 24 -4.010 6.701 -5.434 1.00 0.00 C ATOM 342 CD1 ILE A 24 -1.030 6.980 -4.918 1.00 0.00 C ATOM 0 H ILE A 24 -2.350 9.995 -6.921 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.667 7.750 -7.977 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.100 8.641 -5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.797 6.490 -6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.168 8.121 -6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.573 6.269 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.018 7.054 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.053 5.943 -6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.029 6.612 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.958 7.858 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.597 6.202 -4.407 1.00 0.00 H new ATOM 354 N ARG A 25 -5.580 9.873 -6.316 1.00 0.00 N ATOM 355 CA ARG A 25 -6.996 10.187 -6.114 1.00 0.00 C ATOM 356 C ARG A 25 -7.692 10.304 -7.442 1.00 0.00 C ATOM 357 O ARG A 25 -8.769 9.734 -7.652 1.00 0.00 O ATOM 358 CB ARG A 25 -7.174 11.490 -5.341 1.00 0.00 C ATOM 359 CG ARG A 25 -6.785 11.278 -3.884 1.00 0.00 C ATOM 360 CD ARG A 25 -7.108 12.532 -3.065 1.00 0.00 C ATOM 361 NE ARG A 25 -8.543 12.590 -2.760 1.00 0.00 N ATOM 362 CZ ARG A 25 -9.071 11.987 -1.681 1.00 0.00 C ATOM 363 NH1 ARG A 25 -8.328 11.213 -0.940 1.00 0.00 N ATOM 364 NH2 ARG A 25 -10.339 12.135 -1.405 1.00 0.00 N ATOM 0 H ARG A 25 -4.920 10.546 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.434 9.376 -5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.557 12.273 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.209 11.825 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.321 10.421 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.721 11.052 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.533 12.527 -2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.812 13.422 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.160 13.105 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.347 11.066 -1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.727 10.755 -0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.929 12.708 -2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.740 11.677 -0.586 1.00 0.00 H new ATOM 378 N SER A 26 -7.029 10.946 -8.357 1.00 0.00 N ATOM 379 CA SER A 26 -7.510 11.035 -9.701 1.00 0.00 C ATOM 380 C SER A 26 -7.622 9.625 -10.296 1.00 0.00 C ATOM 381 O SER A 26 -8.650 9.269 -10.867 1.00 0.00 O ATOM 382 CB SER A 26 -6.562 11.905 -10.493 1.00 0.00 C ATOM 383 OG SER A 26 -6.376 13.145 -9.792 1.00 0.00 O ATOM 0 H SER A 26 -6.142 11.421 -8.192 1.00 0.00 H new ATOM 0 HA SER A 26 -8.502 11.486 -9.732 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.606 11.399 -10.624 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.964 12.091 -11.489 1.00 0.00 H new ATOM 0 HG SER A 26 -5.623 13.060 -9.171 1.00 0.00 H new ATOM 389 N LEU A 27 -6.623 8.783 -10.017 1.00 0.00 N ATOM 390 CA LEU A 27 -6.672 7.368 -10.407 1.00 0.00 C ATOM 391 C LEU A 27 -7.831 6.684 -9.695 1.00 0.00 C ATOM 392 O LEU A 27 -8.563 5.887 -10.290 1.00 0.00 O ATOM 393 CB LEU A 27 -5.364 6.648 -10.035 1.00 0.00 C ATOM 394 CG LEU A 27 -4.201 7.177 -10.886 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.871 6.601 -10.374 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.407 6.771 -12.348 1.00 0.00 C ATOM 0 H LEU A 27 -5.772 9.054 -9.524 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.807 7.317 -11.487 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.147 6.798 -8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.476 5.575 -10.188 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.171 8.264 -10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.051 6.981 -10.983 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.721 6.899 -9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.897 5.513 -10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.580 7.148 -12.950 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.444 5.684 -12.422 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.344 7.192 -12.714 1.00 0.00 H new ATOM 408 N LEU A 28 -8.020 7.040 -8.427 1.00 0.00 N ATOM 409 CA LEU A 28 -9.094 6.491 -7.615 1.00 0.00 C ATOM 410 C LEU A 28 -10.406 7.144 -8.025 1.00 0.00 C ATOM 411 O LEU A 28 -11.449 6.929 -7.403 1.00 0.00 O ATOM 412 CB LEU A 28 -8.826 6.732 -6.101 1.00 0.00 C ATOM 413 CG LEU A 28 -7.511 6.063 -5.643 1.00 0.00 C ATOM 414 CD1 LEU A 28 -7.266 6.371 -4.161 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.571 4.541 -5.838 1.00 0.00 C ATOM 0 H LEU A 28 -7.433 7.716 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.149 5.415 -7.777 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.777 7.803 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.658 6.339 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.697 6.461 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.338 5.898 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.191 7.449 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.094 5.985 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.633 4.095 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.394 4.131 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.729 4.315 -6.893 1.00 0.00 H new ATOM 427 N GLN A 29 -10.341 7.980 -9.052 1.00 0.00 N ATOM 428 CA GLN A 29 -11.507 8.692 -9.530 1.00 0.00 C ATOM 429 C GLN A 29 -12.201 9.347 -8.345 1.00 0.00 C ATOM 430 O GLN A 29 -13.401 9.164 -8.131 1.00 0.00 O ATOM 431 CB GLN A 29 -12.475 7.721 -10.223 1.00 0.00 C ATOM 432 CG GLN A 29 -11.723 6.822 -11.218 1.00 0.00 C ATOM 433 CD GLN A 29 -10.992 7.660 -12.249 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.590 8.535 -12.883 1.00 0.00 O ATOM 435 NE2 GLN A 29 -9.740 7.450 -12.462 1.00 0.00 N ATOM 0 H GLN A 29 -9.485 8.179 -9.570 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.200 9.451 -10.250 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.977 7.105 -9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.249 8.283 -10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.012 6.193 -10.682 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.426 6.155 -11.716 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.248 6.727 -11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.240 8.007 -13.155 1.00 0.00 H new ATOM 444 N CYS A 30 -11.398 9.978 -7.504 1.00 0.00 N ATOM 445 CA CYS A 30 -11.867 10.553 -6.253 1.00 0.00 C ATOM 446 C CYS A 30 -12.989 11.579 -6.481 1.00 0.00 C ATOM 447 O CYS A 30 -12.824 12.774 -6.232 1.00 0.00 O ATOM 448 CB CYS A 30 -10.682 11.172 -5.498 1.00 0.00 C ATOM 449 SG CYS A 30 -10.534 10.411 -3.864 1.00 0.00 S ATOM 0 H CYS A 30 -10.400 10.106 -7.670 1.00 0.00 H new ATOM 0 HA CYS A 30 -12.296 9.757 -5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.762 11.024 -6.063 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.825 12.248 -5.397 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.470 9.666 -3.827 1.00 0.00 H new ATOM 455 N ASP A 31 -14.129 11.082 -6.950 1.00 0.00 N ATOM 456 CA ASP A 31 -15.306 11.901 -7.250 1.00 0.00 C ATOM 457 C ASP A 31 -16.200 12.072 -6.031 1.00 0.00 C ATOM 458 O ASP A 31 -16.773 11.097 -5.528 1.00 0.00 O ATOM 459 CB ASP A 31 -16.122 11.248 -8.377 1.00 0.00 C ATOM 460 CG ASP A 31 -15.417 11.402 -9.706 1.00 0.00 C ATOM 461 OD1 ASP A 31 -15.215 12.524 -10.128 1.00 0.00 O ATOM 462 OD2 ASP A 31 -15.105 10.397 -10.309 1.00 0.00 O ATOM 0 H ASP A 31 -14.267 10.089 -7.136 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.950 12.884 -7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.271 10.190 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.110 11.705 -8.429 1.00 0.00 H new ATOM 467 N ASP A 32 -16.392 13.322 -5.617 1.00 0.00 N ATOM 468 CA ASP A 32 -17.317 13.652 -4.528 1.00 0.00 C ATOM 469 C ASP A 32 -18.438 14.548 -5.031 1.00 0.00 C ATOM 470 O ASP A 32 -18.224 15.418 -5.884 1.00 0.00 O ATOM 471 CB ASP A 32 -16.594 14.351 -3.359 1.00 0.00 C ATOM 472 CG ASP A 32 -15.735 13.373 -2.580 1.00 0.00 C ATOM 473 OD1 ASP A 32 -16.251 12.365 -2.143 1.00 0.00 O ATOM 474 OD2 ASP A 32 -14.568 13.648 -2.409 1.00 0.00 O ATOM 0 H ASP A 32 -15.918 14.130 -6.020 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.734 12.712 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.972 15.159 -3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.328 14.804 -2.693 1.00 0.00 H new ATOM 479 N GLY A 33 -19.615 14.384 -4.460 1.00 0.00 N ATOM 480 CA GLY A 33 -20.746 15.243 -4.773 1.00 0.00 C ATOM 481 C GLY A 33 -21.365 14.915 -6.120 1.00 0.00 C ATOM 482 O GLY A 33 -22.575 14.698 -6.212 1.00 0.00 O ATOM 0 H GLY A 33 -19.816 13.659 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.502 15.142 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.421 16.283 -4.769 1.00 0.00 H new ATOM 486 N ILE A 34 -20.542 14.855 -7.161 1.00 0.00 N ATOM 487 CA ILE A 34 -21.046 14.603 -8.510 1.00 0.00 C ATOM 488 C ILE A 34 -21.932 13.369 -8.561 1.00 0.00 C ATOM 489 O ILE A 34 -23.014 13.392 -9.162 1.00 0.00 O ATOM 490 CB ILE A 34 -19.879 14.476 -9.505 1.00 0.00 C ATOM 491 CG1 ILE A 34 -20.393 13.960 -10.858 1.00 0.00 C ATOM 492 CG2 ILE A 34 -18.791 13.538 -8.968 1.00 0.00 C ATOM 493 CD1 ILE A 34 -19.324 14.177 -11.919 1.00 0.00 C ATOM 0 H ILE A 34 -19.531 14.976 -7.100 1.00 0.00 H new ATOM 0 HA ILE A 34 -21.661 15.456 -8.797 1.00 0.00 H new ATOM 0 HB ILE A 34 -19.441 15.465 -9.638 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.640 12.901 -10.786 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.308 14.483 -11.136 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.980 13.469 -9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.404 13.930 -8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -19.214 12.548 -8.801 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.686 13.812 -12.880 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -19.099 15.241 -11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -18.420 13.634 -11.641 1.00 0.00 H new ATOM 505 N THR A 35 -21.524 12.337 -7.872 1.00 0.00 N ATOM 506 CA THR A 35 -22.308 11.123 -7.781 1.00 0.00 C ATOM 507 C THR A 35 -22.690 10.890 -6.319 1.00 0.00 C ATOM 508 O THR A 35 -22.721 9.745 -5.841 1.00 0.00 O ATOM 509 CB THR A 35 -21.514 9.922 -8.396 1.00 0.00 C ATOM 510 OG1 THR A 35 -21.121 8.975 -7.402 1.00 0.00 O ATOM 511 CG2 THR A 35 -20.254 10.431 -9.100 1.00 0.00 C ATOM 0 H THR A 35 -20.643 12.308 -7.358 1.00 0.00 H new ATOM 0 HA THR A 35 -23.228 11.216 -8.358 1.00 0.00 H new ATOM 0 HB THR A 35 -22.180 9.430 -9.105 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.897 8.737 -6.853 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.709 9.588 -9.524 1.00 0.00 H new ATOM 0 HG22 THR A 35 -20.535 11.119 -9.897 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.619 10.949 -8.381 1.00 0.00 H new ATOM 519 N GLY A 36 -22.752 11.986 -5.569 1.00 0.00 N ATOM 520 CA GLY A 36 -22.839 11.903 -4.127 1.00 0.00 C ATOM 521 C GLY A 36 -21.433 11.696 -3.614 1.00 0.00 C ATOM 522 O GLY A 36 -20.473 11.862 -4.377 1.00 0.00 O ATOM 0 H GLY A 36 -22.743 12.936 -5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -23.271 12.814 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.485 11.079 -3.826 1.00 0.00 H new ATOM 526 N LYS A 37 -21.279 11.291 -2.375 1.00 0.00 N ATOM 527 CA LYS A 37 -19.944 10.997 -1.888 1.00 0.00 C ATOM 528 C LYS A 37 -19.822 9.533 -1.519 1.00 0.00 C ATOM 529 O LYS A 37 -20.406 9.088 -0.527 1.00 0.00 O ATOM 530 CB LYS A 37 -19.642 11.860 -0.663 1.00 0.00 C ATOM 531 CG LYS A 37 -19.321 13.296 -1.109 1.00 0.00 C ATOM 532 CD LYS A 37 -20.576 14.174 -1.013 1.00 0.00 C ATOM 533 CE LYS A 37 -21.086 14.209 0.438 1.00 0.00 C ATOM 534 NZ LYS A 37 -21.406 15.598 0.828 1.00 0.00 N ATOM 0 H LYS A 37 -22.033 11.159 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.228 11.219 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -20.497 11.861 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.800 11.443 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.530 13.710 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.949 13.292 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.349 15.185 -1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.353 13.785 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.972 13.582 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.330 13.799 1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.750 15.613 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.551 16.186 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.142 15.975 0.198 1.00 0.00 H new ATOM 548 N GLU A 38 -18.923 8.845 -2.193 1.00 0.00 N ATOM 549 CA GLU A 38 -18.548 7.502 -1.807 1.00 0.00 C ATOM 550 C GLU A 38 -17.399 7.575 -0.813 1.00 0.00 C ATOM 551 O GLU A 38 -16.607 8.535 -0.835 1.00 0.00 O ATOM 552 CB GLU A 38 -18.221 6.632 -3.047 1.00 0.00 C ATOM 553 CG GLU A 38 -17.570 5.296 -2.639 1.00 0.00 C ATOM 554 CD GLU A 38 -18.562 4.426 -1.889 1.00 0.00 C ATOM 555 OE1 GLU A 38 -18.739 4.644 -0.712 1.00 0.00 O ATOM 556 OE2 GLU A 38 -19.130 3.553 -2.496 1.00 0.00 O ATOM 0 H GLU A 38 -18.436 9.198 -3.017 1.00 0.00 H new ATOM 0 HA GLU A 38 -19.387 7.010 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -19.135 6.437 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.550 7.178 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.216 4.771 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.698 5.486 -2.013 1.00 0.00 H new ATOM 563 N ARG A 39 -17.288 6.583 0.032 1.00 0.00 N ATOM 564 CA ARG A 39 -16.230 6.549 1.026 1.00 0.00 C ATOM 565 C ARG A 39 -15.119 5.630 0.572 1.00 0.00 C ATOM 566 O ARG A 39 -15.373 4.492 0.165 1.00 0.00 O ATOM 567 CB ARG A 39 -16.766 6.055 2.371 1.00 0.00 C ATOM 568 CG ARG A 39 -17.880 6.977 2.880 1.00 0.00 C ATOM 569 CD ARG A 39 -17.325 8.372 3.182 1.00 0.00 C ATOM 570 NE ARG A 39 -18.322 9.162 3.901 1.00 0.00 N ATOM 571 CZ ARG A 39 -18.433 9.117 5.232 1.00 0.00 C ATOM 572 NH1 ARG A 39 -17.640 8.342 5.924 1.00 0.00 N ATOM 573 NH2 ARG A 39 -19.337 9.839 5.833 1.00 0.00 N ATOM 0 H ARG A 39 -17.918 5.781 0.057 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.846 7.562 1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.147 5.039 2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -15.956 6.018 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -18.671 7.048 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -18.327 6.554 3.780 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.416 8.290 3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.053 8.873 2.253 1.00 0.00 H new ATOM 0 HE ARG A 39 -18.951 9.765 3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.939 7.774 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -17.722 8.305 6.940 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -19.958 10.437 5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -19.423 9.806 6.849 1.00 0.00 H new ATOM 587 N LEU A 40 -13.889 6.090 0.693 1.00 0.00 N ATOM 588 CA LEU A 40 -12.757 5.260 0.343 1.00 0.00 C ATOM 589 C LEU A 40 -12.585 4.189 1.404 1.00 0.00 C ATOM 590 O LEU A 40 -12.722 4.456 2.605 1.00 0.00 O ATOM 591 CB LEU A 40 -11.471 6.102 0.233 1.00 0.00 C ATOM 592 CG LEU A 40 -11.496 6.927 -1.069 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.345 8.184 -0.870 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.070 7.341 -1.456 1.00 0.00 C ATOM 0 H LEU A 40 -13.651 7.024 1.027 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.941 4.798 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.386 6.766 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.597 5.451 0.245 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.925 6.316 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.359 8.763 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.363 7.897 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.919 8.788 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.097 7.923 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.637 7.944 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.461 6.450 -1.608 1.00 0.00 H new ATOM 606 N LYS A 41 -12.331 2.979 0.975 1.00 0.00 N ATOM 607 CA LYS A 41 -12.141 1.876 1.899 1.00 0.00 C ATOM 608 C LYS A 41 -10.829 1.216 1.622 1.00 0.00 C ATOM 609 O LYS A 41 -10.450 1.079 0.468 1.00 0.00 O ATOM 610 CB LYS A 41 -13.280 0.856 1.778 1.00 0.00 C ATOM 611 CG LYS A 41 -14.517 1.367 2.530 1.00 0.00 C ATOM 612 CD LYS A 41 -14.445 0.940 4.012 1.00 0.00 C ATOM 613 CE LYS A 41 -13.656 1.971 4.842 1.00 0.00 C ATOM 614 NZ LYS A 41 -13.972 3.357 4.392 1.00 0.00 N ATOM 0 H LYS A 41 -12.250 2.726 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.146 2.267 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.523 0.692 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.966 -0.104 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.574 2.453 2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.422 0.969 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.453 0.837 4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.969 -0.037 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.902 1.861 5.898 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.587 1.785 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.689 4.034 5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.454 3.564 3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.994 3.441 4.219 1.00 0.00 H new ATOM 628 N ALA A 42 -10.150 0.787 2.673 1.00 0.00 N ATOM 629 CA ALA A 42 -8.876 0.111 2.532 1.00 0.00 C ATOM 630 C ALA A 42 -8.838 -1.122 3.414 1.00 0.00 C ATOM 631 O ALA A 42 -9.239 -1.070 4.579 1.00 0.00 O ATOM 632 CB ALA A 42 -7.723 1.054 2.873 1.00 0.00 C ATOM 0 H ALA A 42 -10.464 0.897 3.637 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.761 -0.200 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.776 0.526 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.743 1.911 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.827 1.398 3.902 1.00 0.00 H new ATOM 638 N TYR A 43 -8.446 -2.238 2.837 1.00 0.00 N ATOM 639 CA TYR A 43 -8.444 -3.511 3.540 1.00 0.00 C ATOM 640 C TYR A 43 -7.389 -4.452 2.986 1.00 0.00 C ATOM 641 O TYR A 43 -6.897 -4.264 1.878 1.00 0.00 O ATOM 642 CB TYR A 43 -9.837 -4.160 3.481 1.00 0.00 C ATOM 643 CG TYR A 43 -10.372 -4.118 2.061 1.00 0.00 C ATOM 644 CD1 TYR A 43 -9.970 -5.078 1.127 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.282 -3.120 1.686 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.470 -5.043 -0.176 1.00 0.00 C ATOM 647 CE2 TYR A 43 -11.782 -3.086 0.380 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.376 -4.047 -0.551 1.00 0.00 C ATOM 649 OH TYR A 43 -11.870 -4.021 -1.838 1.00 0.00 O ATOM 0 H TYR A 43 -8.120 -2.293 1.872 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.194 -3.315 4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.781 -5.192 3.826 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.519 -3.637 4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.270 -5.849 1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.597 -2.378 2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.157 -5.786 -0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.482 -2.317 0.090 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.850 -4.017 -1.812 1.00 0.00 H new ATOM 659 N GLY A 44 -7.070 -5.485 3.742 1.00 0.00 N ATOM 660 CA GLY A 44 -6.123 -6.474 3.300 1.00 0.00 C ATOM 661 C GLY A 44 -6.684 -7.199 2.108 1.00 0.00 C ATOM 662 O GLY A 44 -7.898 -7.302 1.957 1.00 0.00 O ATOM 0 H GLY A 44 -7.459 -5.656 4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.178 -5.998 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.914 -7.179 4.104 1.00 0.00 H new ATOM 666 N GLU A 45 -5.811 -7.654 1.256 1.00 0.00 N ATOM 667 CA GLU A 45 -6.176 -8.339 0.026 1.00 0.00 C ATOM 668 C GLU A 45 -7.495 -9.092 0.121 1.00 0.00 C ATOM 669 O GLU A 45 -7.755 -9.805 1.094 1.00 0.00 O ATOM 670 CB GLU A 45 -5.080 -9.325 -0.323 1.00 0.00 C ATOM 671 CG GLU A 45 -4.167 -8.742 -1.395 1.00 0.00 C ATOM 672 CD GLU A 45 -3.349 -7.622 -0.804 1.00 0.00 C ATOM 673 OE1 GLU A 45 -3.888 -6.548 -0.625 1.00 0.00 O ATOM 674 OE2 GLU A 45 -2.203 -7.861 -0.510 1.00 0.00 O ATOM 0 H GLU A 45 -4.804 -7.563 1.389 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.298 -7.575 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.500 -9.565 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.519 -10.257 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.510 -9.517 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.760 -8.371 -2.231 1.00 0.00 H new ATOM 881 N PRO A 57 -4.925 -9.915 6.699 1.00 0.00 N ATOM 882 CA PRO A 57 -5.394 -8.512 6.573 1.00 0.00 C ATOM 883 C PRO A 57 -4.279 -7.526 6.847 1.00 0.00 C ATOM 884 O PRO A 57 -3.187 -7.926 7.227 1.00 0.00 O ATOM 885 CB PRO A 57 -6.518 -8.392 7.601 1.00 0.00 C ATOM 886 CG PRO A 57 -6.239 -9.460 8.596 1.00 0.00 C ATOM 887 CD PRO A 57 -5.584 -10.601 7.820 1.00 0.00 C ATOM 0 HA PRO A 57 -5.735 -8.281 5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.523 -7.407 8.069 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.495 -8.529 7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.580 -9.096 9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.158 -9.794 9.078 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.868 -11.146 8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.321 -11.325 7.471 1.00 0.00 H new ATOM 895 N ILE A 58 -4.535 -6.255 6.558 1.00 0.00 N ATOM 896 CA ILE A 58 -3.532 -5.203 6.680 1.00 0.00 C ATOM 897 C ILE A 58 -2.544 -5.481 7.811 1.00 0.00 C ATOM 898 O ILE A 58 -2.717 -5.004 8.939 1.00 0.00 O ATOM 899 CB ILE A 58 -4.226 -3.848 6.910 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.051 -3.482 5.679 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.177 -2.749 7.153 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.036 -2.381 6.037 1.00 0.00 C ATOM 0 H ILE A 58 -5.444 -5.925 6.233 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.965 -5.176 5.750 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.874 -3.929 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.395 -3.150 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.586 -4.358 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.680 -1.795 7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.584 -3.000 8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.523 -2.672 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.625 -2.120 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.700 -2.730 6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.490 -1.503 6.382 1.00 0.00 H new ATOM 914 N VAL A 59 -1.465 -6.140 7.459 1.00 0.00 N ATOM 915 CA VAL A 59 -0.344 -6.347 8.341 1.00 0.00 C ATOM 916 C VAL A 59 0.926 -6.155 7.544 1.00 0.00 C ATOM 917 O VAL A 59 0.927 -6.342 6.323 1.00 0.00 O ATOM 918 CB VAL A 59 -0.369 -7.765 8.962 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.557 -7.900 9.921 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.484 -8.828 7.855 1.00 0.00 C ATOM 0 H VAL A 59 -1.341 -6.554 6.535 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.395 -5.630 9.161 1.00 0.00 H new ATOM 0 HB VAL A 59 0.559 -7.918 9.513 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.565 -8.901 10.352 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.467 -7.162 10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.486 -7.733 9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.501 -9.821 8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.404 -8.669 7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.371 -8.748 7.183 1.00 0.00 H new ATOM 930 N SER A 60 2.012 -5.893 8.216 1.00 0.00 N ATOM 931 CA SER A 60 3.288 -5.844 7.546 1.00 0.00 C ATOM 932 C SER A 60 4.102 -7.012 8.031 1.00 0.00 C ATOM 933 O SER A 60 4.396 -7.104 9.227 1.00 0.00 O ATOM 934 CB SER A 60 4.022 -4.539 7.858 1.00 0.00 C ATOM 935 OG SER A 60 3.082 -3.550 8.296 1.00 0.00 O ATOM 0 H SER A 60 2.044 -5.711 9.219 1.00 0.00 H new ATOM 0 HA SER A 60 3.140 -5.890 6.467 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.773 -4.708 8.630 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.550 -4.186 6.972 1.00 0.00 H new ATOM 0 HG SER A 60 2.507 -3.291 7.546 1.00 0.00 H new ATOM 941 N THR A 61 4.424 -7.933 7.146 1.00 0.00 N ATOM 942 CA THR A 61 5.157 -9.096 7.576 1.00 0.00 C ATOM 943 C THR A 61 6.532 -8.656 8.020 1.00 0.00 C ATOM 944 O THR A 61 7.184 -7.877 7.318 1.00 0.00 O ATOM 945 CB THR A 61 5.258 -10.123 6.434 1.00 0.00 C ATOM 946 OG1 THR A 61 6.049 -9.584 5.375 1.00 0.00 O ATOM 947 CG2 THR A 61 3.855 -10.446 5.905 1.00 0.00 C ATOM 0 H THR A 61 4.196 -7.899 6.152 1.00 0.00 H new ATOM 0 HA THR A 61 4.638 -9.576 8.406 1.00 0.00 H new ATOM 0 HB THR A 61 5.723 -11.034 6.811 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.608 -8.858 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.929 -11.173 5.097 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.249 -10.860 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.388 -9.535 5.531 1.00 0.00 H new ATOM 955 N LYS A 62 6.953 -9.107 9.186 1.00 0.00 N ATOM 956 CA LYS A 62 8.230 -8.699 9.735 1.00 0.00 C ATOM 957 C LYS A 62 9.300 -9.669 9.282 1.00 0.00 C ATOM 958 O LYS A 62 9.439 -10.753 9.860 1.00 0.00 O ATOM 959 CB LYS A 62 8.184 -8.720 11.269 1.00 0.00 C ATOM 960 CG LYS A 62 7.000 -7.894 11.811 1.00 0.00 C ATOM 961 CD LYS A 62 7.197 -6.402 11.537 1.00 0.00 C ATOM 962 CE LYS A 62 6.289 -5.590 12.480 1.00 0.00 C ATOM 963 NZ LYS A 62 4.872 -6.032 12.330 1.00 0.00 N ATOM 0 H LYS A 62 6.428 -9.757 9.771 1.00 0.00 H new ATOM 0 HA LYS A 62 8.451 -7.689 9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.100 -9.749 11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.118 -8.324 11.667 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.074 -8.233 11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.898 -8.059 12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.240 -6.126 11.691 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.957 -6.176 10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.612 -5.722 13.513 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.373 -4.527 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.237 -5.225 12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.723 -6.400 11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.666 -6.780 13.023 1.00 0.00 H new ATOM 977 N LYS A 63 10.071 -9.291 8.280 1.00 0.00 N ATOM 978 CA LYS A 63 11.145 -10.151 7.822 1.00 0.00 C ATOM 979 C LYS A 63 12.485 -9.517 8.098 1.00 0.00 C ATOM 980 O LYS A 63 12.854 -8.529 7.471 1.00 0.00 O ATOM 981 CB LYS A 63 11.006 -10.472 6.329 1.00 0.00 C ATOM 982 CG LYS A 63 9.628 -11.113 6.060 1.00 0.00 C ATOM 983 CD LYS A 63 9.769 -12.287 5.076 1.00 0.00 C ATOM 984 CE LYS A 63 10.262 -11.787 3.712 1.00 0.00 C ATOM 985 NZ LYS A 63 10.452 -12.943 2.800 1.00 0.00 N ATOM 0 H LYS A 63 9.977 -8.410 7.775 1.00 0.00 H new ATOM 0 HA LYS A 63 11.078 -11.088 8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.115 -9.561 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.800 -11.150 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.194 -11.464 6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.946 -10.367 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.468 -13.022 5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.809 -12.790 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.541 -11.089 3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.200 -11.244 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.786 -12.604 1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.155 -13.593 3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.548 -13.442 2.680 1.00 0.00 H new ATOM 999 N LEU A 64 13.229 -10.107 9.008 1.00 0.00 N ATOM 1000 CA LEU A 64 14.553 -9.624 9.324 1.00 0.00 C ATOM 1001 C LEU A 64 15.558 -10.425 8.531 1.00 0.00 C ATOM 1002 O LEU A 64 15.866 -11.571 8.870 1.00 0.00 O ATOM 1003 CB LEU A 64 14.793 -9.733 10.843 1.00 0.00 C ATOM 1004 CG LEU A 64 16.145 -9.120 11.256 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.305 -7.736 10.636 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.143 -8.949 12.773 1.00 0.00 C ATOM 0 H LEU A 64 12.937 -10.925 9.543 1.00 0.00 H new ATOM 0 HA LEU A 64 14.660 -8.574 9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.987 -9.227 11.375 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.763 -10.781 11.141 1.00 0.00 H new ATOM 0 HG LEU A 64 16.954 -9.770 10.922 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.264 -7.312 10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.267 -7.817 9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.499 -7.088 10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.091 -8.516 13.092 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.326 -8.288 13.064 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.010 -9.921 13.249 1.00 0.00 H new ATOM 1018 N ASP A 65 15.938 -9.880 7.387 1.00 0.00 N ATOM 1019 CA ASP A 65 16.781 -10.587 6.436 1.00 0.00 C ATOM 1020 C ASP A 65 18.250 -10.360 6.695 1.00 0.00 C ATOM 1021 O ASP A 65 18.635 -9.549 7.542 1.00 0.00 O ATOM 1022 CB ASP A 65 16.451 -10.179 4.980 1.00 0.00 C ATOM 1023 CG ASP A 65 15.810 -11.315 4.186 1.00 0.00 C ATOM 1024 OD1 ASP A 65 15.696 -12.405 4.699 1.00 0.00 O ATOM 1025 OD2 ASP A 65 15.449 -11.077 3.055 1.00 0.00 O ATOM 0 H ASP A 65 15.673 -8.940 7.092 1.00 0.00 H new ATOM 0 HA ASP A 65 16.568 -11.647 6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.778 -9.322 4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.365 -9.861 4.479 1.00 0.00 H new ATOM 1030 N LYS A 66 19.051 -11.012 5.869 1.00 0.00 N ATOM 1031 CA LYS A 66 20.500 -10.860 5.840 1.00 0.00 C ATOM 1032 C LYS A 66 20.881 -9.394 6.004 1.00 0.00 C ATOM 1033 O LYS A 66 21.954 -9.071 6.512 1.00 0.00 O ATOM 1034 CB LYS A 66 21.029 -11.363 4.480 1.00 0.00 C ATOM 1035 CG LYS A 66 20.328 -10.593 3.329 1.00 0.00 C ATOM 1036 CD LYS A 66 19.118 -11.383 2.791 1.00 0.00 C ATOM 1037 CE LYS A 66 18.331 -10.507 1.801 1.00 0.00 C ATOM 1038 NZ LYS A 66 17.168 -11.263 1.278 1.00 0.00 N ATOM 0 H LYS A 66 18.704 -11.680 5.181 1.00 0.00 H new ATOM 0 HA LYS A 66 20.935 -11.436 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 66 22.108 -11.219 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.845 -12.433 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.000 -9.617 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.038 -10.414 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.456 -12.294 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.473 -11.687 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.992 -9.597 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.977 -10.201 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.981 -10.976 0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.374 -12.282 1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.332 -11.062 1.863 1.00 0.00 H new ATOM 1052 N GLU A 67 19.977 -8.520 5.587 1.00 0.00 N ATOM 1053 CA GLU A 67 20.171 -7.088 5.660 1.00 0.00 C ATOM 1054 C GLU A 67 20.418 -6.646 7.090 1.00 0.00 C ATOM 1055 O GLU A 67 21.065 -5.628 7.327 1.00 0.00 O ATOM 1056 CB GLU A 67 18.941 -6.379 5.086 1.00 0.00 C ATOM 1057 CG GLU A 67 18.879 -6.626 3.573 1.00 0.00 C ATOM 1058 CD GLU A 67 20.050 -5.942 2.898 1.00 0.00 C ATOM 1059 OE1 GLU A 67 20.215 -4.756 3.106 1.00 0.00 O ATOM 1060 OE2 GLU A 67 20.772 -6.603 2.190 1.00 0.00 O ATOM 0 H GLU A 67 19.080 -8.793 5.185 1.00 0.00 H new ATOM 0 HA GLU A 67 21.050 -6.821 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.035 -6.751 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.994 -5.310 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 67 18.902 -7.696 3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.941 -6.245 3.170 1.00 0.00 H new ATOM 1067 N GLY A 68 19.832 -7.351 8.032 1.00 0.00 N ATOM 1068 CA GLY A 68 19.972 -6.989 9.426 1.00 0.00 C ATOM 1069 C GLY A 68 19.009 -5.889 9.765 1.00 0.00 C ATOM 1070 O GLY A 68 19.043 -5.338 10.867 1.00 0.00 O ATOM 0 H GLY A 68 19.256 -8.175 7.860 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.783 -7.857 10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.993 -6.665 9.626 1.00 0.00 H new ATOM 1074 N ARG A 69 18.092 -5.628 8.844 1.00 0.00 N ATOM 1075 CA ARG A 69 17.018 -4.680 9.066 1.00 0.00 C ATOM 1076 C ARG A 69 15.717 -5.431 8.855 1.00 0.00 C ATOM 1077 O ARG A 69 15.621 -6.250 7.933 1.00 0.00 O ATOM 1078 CB ARG A 69 17.089 -3.505 8.054 1.00 0.00 C ATOM 1079 CG ARG A 69 18.543 -3.044 7.817 1.00 0.00 C ATOM 1080 CD ARG A 69 19.165 -2.497 9.109 1.00 0.00 C ATOM 1081 NE ARG A 69 20.439 -1.832 8.819 1.00 0.00 N ATOM 1082 CZ ARG A 69 21.608 -2.479 8.786 1.00 0.00 C ATOM 1083 NH1 ARG A 69 21.643 -3.765 8.931 1.00 0.00 N ATOM 1084 NH2 ARG A 69 22.710 -1.818 8.578 1.00 0.00 N ATOM 0 H ARG A 69 18.075 -6.069 7.924 1.00 0.00 H new ATOM 0 HA ARG A 69 17.094 -4.263 10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.646 -3.813 7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.498 -2.668 8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.138 -3.880 7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.563 -2.274 7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.479 -1.794 9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 69 19.325 -3.311 9.817 1.00 0.00 H new ATOM 0 HE ARG A 69 20.433 -0.829 8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.777 -4.286 9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 69 22.536 -4.257 8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 69 22.681 -0.808 8.441 1.00 0.00 H new ATOM 0 HH22 ARG A 69 23.603 -2.310 8.553 1.00 0.00 H new ATOM 1098 N THR A 70 14.750 -5.223 9.721 1.00 0.00 N ATOM 1099 CA THR A 70 13.499 -5.948 9.592 1.00 0.00 C ATOM 1100 C THR A 70 12.704 -5.359 8.447 1.00 0.00 C ATOM 1101 O THR A 70 12.464 -4.161 8.413 1.00 0.00 O ATOM 1102 CB THR A 70 12.683 -5.874 10.891 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.543 -5.747 12.017 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.824 -7.133 11.046 1.00 0.00 C ATOM 0 H THR A 70 14.799 -4.574 10.506 1.00 0.00 H new ATOM 0 HA THR A 70 13.717 -6.997 9.393 1.00 0.00 H new ATOM 0 HB THR A 70 12.037 -4.997 10.838 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.040 -5.377 12.772 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.250 -7.070 11.970 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.142 -7.215 10.200 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.468 -8.011 11.078 1.00 0.00 H new ATOM 1112 N HIS A 71 12.312 -6.195 7.516 1.00 0.00 N ATOM 1113 CA HIS A 71 11.571 -5.749 6.354 1.00 0.00 C ATOM 1114 C HIS A 71 10.091 -5.835 6.635 1.00 0.00 C ATOM 1115 O HIS A 71 9.586 -6.896 7.012 1.00 0.00 O ATOM 1116 CB HIS A 71 11.915 -6.634 5.154 1.00 0.00 C ATOM 1117 CG HIS A 71 11.791 -5.866 3.856 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.902 -5.391 3.184 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.710 -5.537 3.069 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.476 -4.821 2.040 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.148 -4.883 1.917 1.00 0.00 N ATOM 0 H HIS A 71 12.495 -7.198 7.539 1.00 0.00 H new ATOM 0 HA HIS A 71 11.839 -4.716 6.130 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.931 -7.015 5.259 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.251 -7.498 5.134 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.679 -5.753 3.307 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.130 -4.368 1.310 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.578 -4.529 1.149 1.00 0.00 H new ATOM 1130 N HIS A 72 9.397 -4.740 6.418 1.00 0.00 N ATOM 1131 CA HIS A 72 7.963 -4.690 6.576 1.00 0.00 C ATOM 1132 C HIS A 72 7.328 -4.765 5.205 1.00 0.00 C ATOM 1133 O HIS A 72 7.240 -3.751 4.515 1.00 0.00 O ATOM 1134 CB HIS A 72 7.541 -3.353 7.230 1.00 0.00 C ATOM 1135 CG HIS A 72 7.738 -3.382 8.718 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.933 -2.645 9.575 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.655 -4.019 9.517 1.00 0.00 C ATOM 1138 CE1 HIS A 72 7.378 -2.849 10.825 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.424 -3.679 10.848 1.00 0.00 N ATOM 0 H HIS A 72 9.814 -3.856 6.126 1.00 0.00 H new ATOM 0 HA HIS A 72 7.643 -5.519 7.207 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.123 -2.537 6.801 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.494 -3.151 7.004 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.434 -4.681 9.168 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.943 -2.397 11.704 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.943 -3.997 11.666 1.00 0.00 H new ATOM 1148 N TYR A 73 6.803 -5.927 4.850 1.00 0.00 N ATOM 1149 CA TYR A 73 6.076 -6.066 3.597 1.00 0.00 C ATOM 1150 C TYR A 73 4.611 -5.905 3.900 1.00 0.00 C ATOM 1151 O TYR A 73 4.033 -6.729 4.615 1.00 0.00 O ATOM 1152 CB TYR A 73 6.277 -7.465 2.988 1.00 0.00 C ATOM 1153 CG TYR A 73 7.715 -7.707 2.593 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.617 -8.249 3.516 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.139 -7.418 1.290 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.940 -8.499 3.132 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.461 -7.666 0.914 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.357 -8.205 1.831 1.00 0.00 C ATOM 1159 OH TYR A 73 11.655 -8.459 1.450 1.00 0.00 O ATOM 0 H TYR A 73 6.865 -6.780 5.405 1.00 0.00 H new ATOM 0 HA TYR A 73 6.439 -5.319 2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.966 -8.222 3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.637 -7.575 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.293 -8.474 4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.443 -7.003 0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.638 -8.919 3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.788 -7.439 -0.090 1.00 0.00 H new ATOM 0 HH TYR A 73 11.778 -8.197 0.514 1.00 0.00 H new ATOM 1169 N MET A 74 4.026 -4.820 3.436 1.00 0.00 N ATOM 1170 CA MET A 74 2.633 -4.533 3.720 1.00 0.00 C ATOM 1171 C MET A 74 1.886 -4.212 2.446 1.00 0.00 C ATOM 1172 O MET A 74 2.236 -3.263 1.740 1.00 0.00 O ATOM 1173 CB MET A 74 2.536 -3.347 4.684 1.00 0.00 C ATOM 1174 CG MET A 74 1.074 -3.094 5.069 1.00 0.00 C ATOM 1175 SD MET A 74 1.009 -1.727 6.252 1.00 0.00 S ATOM 1176 CE MET A 74 1.582 -0.429 5.123 1.00 0.00 C ATOM 0 H MET A 74 4.494 -4.121 2.859 1.00 0.00 H new ATOM 0 HA MET A 74 2.183 -5.414 4.177 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.126 -3.547 5.579 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.956 -2.456 4.218 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.487 -2.854 4.183 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.638 -3.992 5.506 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.063 0.503 5.347 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.655 -0.286 5.248 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.372 -0.723 4.094 1.00 0.00 H new ATOM 1186 N ARG A 75 0.800 -4.918 2.211 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.062 -4.605 1.096 1.00 0.00 C ATOM 1188 C ARG A 75 -1.459 -4.399 1.604 1.00 0.00 C ATOM 1189 O ARG A 75 -1.888 -5.080 2.541 1.00 0.00 O ATOM 1190 CB ARG A 75 -0.127 -5.737 0.086 1.00 0.00 C ATOM 1191 CG ARG A 75 1.244 -6.127 -0.446 1.00 0.00 C ATOM 1192 CD ARG A 75 1.005 -7.043 -1.644 1.00 0.00 C ATOM 1193 NE ARG A 75 0.104 -8.130 -1.251 1.00 0.00 N ATOM 1194 CZ ARG A 75 0.463 -9.403 -1.147 1.00 0.00 C ATOM 1195 NH1 ARG A 75 1.636 -9.800 -1.562 1.00 0.00 N ATOM 1196 NH2 ARG A 75 -0.389 -10.257 -0.667 1.00 0.00 N ATOM 0 H ARG A 75 0.496 -5.710 2.777 1.00 0.00 H new ATOM 0 HA ARG A 75 0.344 -3.715 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.593 -6.606 0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.764 -5.440 -0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.810 -5.244 -0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.826 -6.637 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.572 -6.477 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.952 -7.450 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.866 -7.891 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.286 -9.129 -1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.902 -10.781 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.316 -9.945 -0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.131 -11.240 -0.579 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.206 -3.576 0.924 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.607 -3.438 1.215 1.00 0.00 C ATOM 1212 C PHE A 76 -4.398 -3.039 -0.003 1.00 0.00 C ATOM 1213 O PHE A 76 -3.887 -2.366 -0.902 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.859 -2.532 2.431 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.217 -1.170 2.250 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -1.886 -0.979 2.647 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -3.944 -0.104 1.709 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.283 0.273 2.501 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.338 1.154 1.567 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.008 1.340 1.962 1.00 0.00 C ATOM 0 H PHE A 76 -1.868 -2.988 0.162 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.978 -4.422 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.932 -2.413 2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.462 -3.006 3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.326 -1.801 3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.969 -0.249 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.257 0.417 2.805 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.898 1.979 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.542 2.308 1.850 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.646 -3.445 -0.020 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.553 -3.147 -1.102 1.00 0.00 C ATOM 1232 C HIS A 77 -7.471 -2.043 -0.690 1.00 0.00 C ATOM 1233 O HIS A 77 -7.949 -2.019 0.450 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.372 -4.392 -1.467 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.696 -5.151 -2.572 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.546 -5.908 -2.379 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.008 -5.279 -3.901 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.222 -6.451 -3.570 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.082 -6.097 -4.528 1.00 0.00 N ATOM 0 H HIS A 77 -6.065 -3.999 0.727 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.977 -2.838 -1.974 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.484 -5.032 -0.592 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.375 -4.099 -1.778 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -5.042 -6.030 -1.501 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.851 -4.811 -4.387 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.370 -7.095 -3.730 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.738 -1.133 -1.596 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.628 -0.049 -1.287 1.00 0.00 C ATOM 1250 C VAL A 78 -9.699 0.070 -2.333 1.00 0.00 C ATOM 1251 O VAL A 78 -9.471 -0.226 -3.509 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.863 1.289 -1.136 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.562 1.066 -0.359 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.538 1.886 -2.517 1.00 0.00 C ATOM 0 H VAL A 78 -7.355 -1.124 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.099 -0.271 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.498 1.986 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.032 2.013 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.792 0.672 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.935 0.354 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.001 2.826 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.919 1.187 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.464 2.069 -3.062 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.810 0.625 -1.936 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.873 0.904 -2.852 1.00 0.00 C ATOM 1266 C GLU A 79 -12.013 2.378 -3.033 1.00 0.00 C ATOM 1267 O GLU A 79 -12.205 3.126 -2.069 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.176 0.282 -2.382 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.059 -1.239 -2.507 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.304 -1.925 -2.005 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.311 -1.267 -1.856 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.246 -3.108 -1.798 1.00 0.00 O ATOM 0 H GLU A 79 -11.001 0.895 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.630 0.458 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.379 0.563 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.009 0.649 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.887 -1.509 -3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.195 -1.588 -1.941 1.00 0.00 H new ATOM 1279 N SER A 80 -11.885 2.794 -4.259 1.00 0.00 N ATOM 1280 CA SER A 80 -11.972 4.177 -4.601 1.00 0.00 C ATOM 1281 C SER A 80 -13.414 4.541 -4.821 1.00 0.00 C ATOM 1282 O SER A 80 -14.310 3.733 -4.559 1.00 0.00 O ATOM 1283 CB SER A 80 -11.166 4.449 -5.855 1.00 0.00 C ATOM 1284 OG SER A 80 -11.766 3.791 -6.962 1.00 0.00 O ATOM 0 H SER A 80 -11.716 2.176 -5.053 1.00 0.00 H new ATOM 0 HA SER A 80 -11.567 4.782 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.116 5.522 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.142 4.100 -5.724 1.00 0.00 H new ATOM 0 HG SER A 80 -12.265 3.009 -6.646 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.649 5.729 -5.327 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.995 6.144 -5.607 1.00 0.00 C ATOM 1292 C LYS A 81 -15.560 5.266 -6.723 1.00 0.00 C ATOM 1293 O LYS A 81 -16.767 5.052 -6.802 1.00 0.00 O ATOM 1294 CB LYS A 81 -15.013 7.597 -6.071 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.355 8.526 -5.028 1.00 0.00 C ATOM 1296 CD LYS A 81 -15.075 8.462 -3.675 1.00 0.00 C ATOM 1297 CE LYS A 81 -15.568 9.870 -3.297 1.00 0.00 C ATOM 1298 NZ LYS A 81 -15.222 10.191 -1.892 1.00 0.00 N ATOM 0 H LYS A 81 -12.930 6.417 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.594 6.048 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.487 7.684 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.042 7.913 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.310 8.244 -4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.365 9.552 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.917 7.772 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.400 8.082 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.121 10.608 -3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.648 9.930 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.441 11.189 -1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.774 9.586 -1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.207 10.024 -1.737 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.683 4.851 -7.648 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.117 4.096 -8.831 1.00 0.00 C ATOM 1314 C LYS A 82 -14.448 2.714 -8.912 1.00 0.00 C ATOM 1315 O LYS A 82 -14.997 1.792 -9.520 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.762 4.879 -10.111 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.241 6.343 -10.014 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.773 6.422 -10.013 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.199 7.893 -9.866 1.00 0.00 C ATOM 1320 NZ LYS A 82 -16.674 8.689 -11.010 1.00 0.00 N ATOM 0 H LYS A 82 -13.679 5.023 -7.601 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.195 3.958 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.684 4.855 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.222 4.399 -10.975 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.849 6.798 -9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.844 6.915 -10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.172 6.005 -10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.180 5.829 -9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.286 7.964 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.822 8.298 -8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.441 9.263 -11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.912 9.314 -10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.302 8.046 -11.738 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.199 2.629 -8.456 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.373 1.424 -8.657 1.00 0.00 C ATOM 1336 C LYS A 83 -11.870 0.831 -7.347 1.00 0.00 C ATOM 1337 O LYS A 83 -11.894 1.489 -6.298 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.165 1.753 -9.545 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.625 2.184 -10.947 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.285 0.999 -11.664 1.00 0.00 C ATOM 1341 CE LYS A 83 -12.711 1.424 -13.077 1.00 0.00 C ATOM 1342 NZ LYS A 83 -13.287 0.259 -13.789 1.00 0.00 N ATOM 0 H LYS A 83 -12.731 3.377 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.014 0.685 -9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.577 2.549 -9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.515 0.881 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.329 3.012 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.773 2.542 -11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.590 0.161 -11.719 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.152 0.657 -11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.444 2.229 -13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.853 1.812 -13.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.576 0.545 -14.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.574 -0.495 -13.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.116 -0.092 -13.268 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.336 -0.376 -7.441 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.709 -1.056 -6.319 1.00 0.00 C ATOM 1358 C ILE A 84 -9.203 -1.056 -6.589 1.00 0.00 C ATOM 1359 O ILE A 84 -8.780 -1.394 -7.697 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.212 -2.504 -6.270 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.742 -2.515 -6.224 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.677 -3.192 -5.005 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.247 -3.905 -6.596 1.00 0.00 C ATOM 0 H ILE A 84 -11.325 -0.916 -8.306 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.941 -0.565 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.863 -3.032 -7.157 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.089 -2.244 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.143 -1.773 -6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.035 -4.221 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.587 -3.187 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.029 -2.656 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.336 -3.917 -6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -12.910 -4.157 -7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -12.856 -4.636 -5.888 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.409 -0.603 -5.636 1.00 0.00 N ATOM 1376 CA ALA A 85 -6.966 -0.484 -5.855 1.00 0.00 C ATOM 1377 C ALA A 85 -6.178 -1.270 -4.829 1.00 0.00 C ATOM 1378 O ALA A 85 -6.615 -1.440 -3.697 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.533 0.988 -5.833 1.00 0.00 C ATOM 0 H ALA A 85 -8.727 -0.313 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.753 -0.903 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.457 1.053 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.054 1.532 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.779 1.425 -4.865 1.00 0.00 H new ATOM 1385 N LEU A 86 -4.992 -1.695 -5.224 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.085 -2.419 -4.345 1.00 0.00 C ATOM 1387 C LEU A 86 -2.858 -1.584 -4.033 1.00 0.00 C ATOM 1388 O LEU A 86 -2.226 -1.040 -4.933 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.705 -3.778 -4.976 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.447 -4.371 -4.312 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.695 -4.625 -2.826 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -2.088 -5.695 -5.000 1.00 0.00 C ATOM 0 H LEU A 86 -4.627 -1.549 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.591 -2.617 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.537 -4.475 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.529 -3.649 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.626 -3.661 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.796 -5.044 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.946 -3.686 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.521 -5.327 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.198 -6.118 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.918 -6.394 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.892 -5.514 -6.057 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.538 -1.464 -2.761 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.391 -0.687 -2.336 1.00 0.00 C ATOM 1406 C VAL A 87 -0.395 -1.607 -1.650 1.00 0.00 C ATOM 1407 O VAL A 87 -0.765 -2.361 -0.743 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.847 0.415 -1.366 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.660 1.306 -0.981 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -2.948 1.265 -2.018 1.00 0.00 C ATOM 0 H VAL A 87 -3.059 -1.897 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.917 -0.222 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.244 -0.053 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.996 2.083 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.107 0.701 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.247 1.769 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.266 2.043 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.562 1.725 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.799 0.630 -2.265 1.00 0.00 H new ATOM 1420 N HIS A 88 0.859 -1.550 -2.080 1.00 0.00 N ATOM 1421 CA HIS A 88 1.909 -2.377 -1.493 1.00 0.00 C ATOM 1422 C HIS A 88 3.054 -1.510 -1.018 1.00 0.00 C ATOM 1423 O HIS A 88 3.610 -0.723 -1.789 1.00 0.00 O ATOM 1424 CB HIS A 88 2.395 -3.435 -2.502 1.00 0.00 C ATOM 1425 CG HIS A 88 3.668 -4.107 -2.020 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.597 -4.631 -2.902 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.177 -4.348 -0.760 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.602 -5.154 -2.178 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.400 -5.008 -0.870 1.00 0.00 N ATOM 0 H HIS A 88 1.175 -0.940 -2.834 1.00 0.00 H new ATOM 0 HA HIS A 88 1.499 -2.903 -0.631 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.618 -4.185 -2.650 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.572 -2.965 -3.469 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.531 -4.622 -3.920 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.701 -4.068 0.168 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.469 -5.635 -2.606 1.00 0.00 H new ATOM 1438 N LEU A 89 3.376 -1.630 0.261 1.00 0.00 N ATOM 1439 CA LEU A 89 4.440 -0.855 0.866 1.00 0.00 C ATOM 1440 C LEU A 89 5.468 -1.756 1.518 1.00 0.00 C ATOM 1441 O LEU A 89 5.122 -2.614 2.346 1.00 0.00 O ATOM 1442 CB LEU A 89 3.876 0.130 1.904 1.00 0.00 C ATOM 1443 CG LEU A 89 5.010 1.033 2.438 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.466 2.417 2.794 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.640 0.402 3.689 1.00 0.00 C ATOM 0 H LEU A 89 2.906 -2.267 0.905 1.00 0.00 H new ATOM 0 HA LEU A 89 4.928 -0.290 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.094 0.741 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.417 -0.418 2.727 1.00 0.00 H new ATOM 0 HG LEU A 89 5.765 1.133 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.277 3.041 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.034 2.878 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.698 2.320 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.438 1.046 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.879 0.288 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.050 -0.576 3.436 1.00 0.00 H new ATOM 1457 N GLU A 90 6.732 -1.471 1.256 1.00 0.00 N ATOM 1458 CA GLU A 90 7.815 -2.119 1.956 1.00 0.00 C ATOM 1459 C GLU A 90 8.572 -1.125 2.793 1.00 0.00 C ATOM 1460 O GLU A 90 9.192 -0.191 2.268 1.00 0.00 O ATOM 1461 CB GLU A 90 8.769 -2.836 1.012 1.00 0.00 C ATOM 1462 CG GLU A 90 8.098 -4.096 0.460 1.00 0.00 C ATOM 1463 CD GLU A 90 9.025 -4.806 -0.507 1.00 0.00 C ATOM 1464 OE1 GLU A 90 10.214 -4.538 -0.467 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.547 -5.632 -1.252 1.00 0.00 O ATOM 0 H GLU A 90 7.029 -0.790 0.558 1.00 0.00 H new ATOM 0 HA GLU A 90 7.367 -2.873 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.052 -2.174 0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.686 -3.101 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.835 -4.765 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.169 -3.830 -0.045 1.00 0.00 H new ATOM 1472 N ALA A 91 8.583 -1.368 4.079 1.00 0.00 N ATOM 1473 CA ALA A 91 9.326 -0.551 5.012 1.00 0.00 C ATOM 1474 C ALA A 91 10.324 -1.421 5.728 1.00 0.00 C ATOM 1475 O ALA A 91 10.198 -2.640 5.700 1.00 0.00 O ATOM 1476 CB ALA A 91 8.379 0.109 6.027 1.00 0.00 C ATOM 0 H ALA A 91 8.076 -2.140 4.513 1.00 0.00 H new ATOM 0 HA ALA A 91 9.843 0.240 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.957 0.720 6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.662 0.739 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.845 -0.663 6.582 1.00 0.00 H new ATOM 1482 N LYS A 92 11.282 -0.822 6.404 1.00 0.00 N ATOM 1483 CA LYS A 92 12.219 -1.618 7.176 1.00 0.00 C ATOM 1484 C LYS A 92 12.381 -1.086 8.575 1.00 0.00 C ATOM 1485 O LYS A 92 12.563 0.121 8.767 1.00 0.00 O ATOM 1486 CB LYS A 92 13.606 -1.710 6.512 1.00 0.00 C ATOM 1487 CG LYS A 92 14.301 -0.332 6.499 1.00 0.00 C ATOM 1488 CD LYS A 92 15.778 -0.514 6.133 1.00 0.00 C ATOM 1489 CE LYS A 92 16.433 0.851 5.885 1.00 0.00 C ATOM 1490 NZ LYS A 92 16.410 1.700 7.119 1.00 0.00 N ATOM 0 H LYS A 92 11.433 0.186 6.437 1.00 0.00 H new ATOM 0 HA LYS A 92 11.788 -2.618 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.224 -2.429 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.502 -2.079 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.815 0.327 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.212 0.142 7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.298 -1.035 6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.866 -1.135 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.463 0.708 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.912 1.365 5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.096 2.661 6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.753 1.288 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.365 1.742 7.530 1.00 0.00 H new ATOM 1504 N GLU A 93 12.544 -1.995 9.516 1.00 0.00 N ATOM 1505 CA GLU A 93 12.959 -1.610 10.840 1.00 0.00 C ATOM 1506 C GLU A 93 14.464 -1.527 10.779 1.00 0.00 C ATOM 1507 O GLU A 93 15.138 -2.555 10.605 1.00 0.00 O ATOM 1508 CB GLU A 93 12.586 -2.703 11.841 1.00 0.00 C ATOM 1509 CG GLU A 93 11.065 -2.911 11.882 1.00 0.00 C ATOM 1510 CD GLU A 93 10.715 -4.084 12.790 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.612 -4.675 13.360 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.545 -4.379 12.896 1.00 0.00 O ATOM 0 H GLU A 93 12.396 -2.996 9.385 1.00 0.00 H new ATOM 0 HA GLU A 93 12.490 -0.675 11.147 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.078 -3.636 11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.947 -2.432 12.833 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.577 -2.005 12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.689 -3.097 10.876 1.00 0.00 H new ATOM 1519 N SER A 94 14.987 -0.328 10.806 1.00 0.00 N ATOM 1520 CA SER A 94 16.403 -0.139 10.620 1.00 0.00 C ATOM 1521 C SER A 94 17.202 -0.749 11.763 1.00 0.00 C ATOM 1522 O SER A 94 17.557 -1.929 11.710 1.00 0.00 O ATOM 1523 CB SER A 94 16.716 1.336 10.423 1.00 0.00 C ATOM 1524 OG SER A 94 15.856 1.848 9.397 1.00 0.00 O ATOM 0 H SER A 94 14.456 0.530 10.955 1.00 0.00 H new ATOM 0 HA SER A 94 16.707 -0.667 9.716 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.564 1.883 11.353 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.761 1.468 10.143 1.00 0.00 H new ATOM 0 HG SER A 94 15.928 2.825 9.367 1.00 0.00 H new ATOM 1604 N GLN A 99 10.886 4.813 13.881 1.00 0.00 N ATOM 1605 CA GLN A 99 10.000 4.380 12.805 1.00 0.00 C ATOM 1606 C GLN A 99 10.792 3.660 11.727 1.00 0.00 C ATOM 1607 O GLN A 99 11.930 4.034 11.433 1.00 0.00 O ATOM 1608 CB GLN A 99 9.296 5.591 12.182 1.00 0.00 C ATOM 1609 CG GLN A 99 8.507 6.357 13.251 1.00 0.00 C ATOM 1610 CD GLN A 99 7.018 6.165 13.026 1.00 0.00 C ATOM 1611 OE1 GLN A 99 6.318 7.111 12.664 1.00 0.00 O ATOM 1612 NE2 GLN A 99 6.493 4.996 13.197 1.00 0.00 N ATOM 0 HA GLN A 99 9.258 3.701 13.225 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.032 6.250 11.721 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.623 5.261 11.390 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.783 6.002 14.244 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.757 7.417 13.211 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.076 4.214 13.497 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.496 4.855 13.032 1.00 0.00 H new ATOM 1621 N PRO A 100 10.211 2.667 11.103 1.00 0.00 N ATOM 1622 CA PRO A 100 10.893 1.961 9.984 1.00 0.00 C ATOM 1623 C PRO A 100 10.952 2.840 8.736 1.00 0.00 C ATOM 1624 O PRO A 100 10.061 3.665 8.510 1.00 0.00 O ATOM 1625 CB PRO A 100 10.013 0.735 9.746 1.00 0.00 C ATOM 1626 CG PRO A 100 8.645 1.192 10.107 1.00 0.00 C ATOM 1627 CD PRO A 100 8.821 2.170 11.275 1.00 0.00 C ATOM 0 HA PRO A 100 11.927 1.704 10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.062 0.405 8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.327 -0.107 10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.160 1.678 9.261 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.015 0.350 10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 100 8.096 2.982 11.231 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.688 1.675 12.237 1.00 0.00 H new ATOM 1635 N ASP A 101 11.975 2.649 7.925 1.00 0.00 N ATOM 1636 CA ASP A 101 12.098 3.386 6.664 1.00 0.00 C ATOM 1637 C ASP A 101 11.193 2.771 5.624 1.00 0.00 C ATOM 1638 O ASP A 101 11.082 1.548 5.558 1.00 0.00 O ATOM 1639 CB ASP A 101 13.536 3.360 6.140 1.00 0.00 C ATOM 1640 CG ASP A 101 14.462 4.189 7.005 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.985 4.970 7.804 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.653 4.021 6.860 1.00 0.00 O ATOM 0 H ASP A 101 12.735 1.994 8.108 1.00 0.00 H new ATOM 0 HA ASP A 101 11.812 4.420 6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.893 2.331 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.558 3.738 5.118 1.00 0.00 H new ATOM 1647 N PHE A 102 10.634 3.594 4.746 1.00 0.00 N ATOM 1648 CA PHE A 102 9.817 3.083 3.656 1.00 0.00 C ATOM 1649 C PHE A 102 10.711 2.786 2.470 1.00 0.00 C ATOM 1650 O PHE A 102 11.107 3.698 1.732 1.00 0.00 O ATOM 1651 CB PHE A 102 8.788 4.133 3.234 1.00 0.00 C ATOM 1652 CG PHE A 102 7.896 4.486 4.394 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.804 3.682 4.695 1.00 0.00 C ATOM 1654 CD2 PHE A 102 8.154 5.628 5.158 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.961 4.008 5.757 1.00 0.00 C ATOM 1656 CE2 PHE A 102 7.314 5.959 6.225 1.00 0.00 C ATOM 1657 CZ PHE A 102 6.215 5.150 6.525 1.00 0.00 C ATOM 0 H PHE A 102 10.731 4.609 4.767 1.00 0.00 H new ATOM 0 HA PHE A 102 9.303 2.181 3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.297 5.027 2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.188 3.752 2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.607 2.800 4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 102 9.002 6.254 4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.113 3.380 5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 102 7.514 6.840 6.817 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.563 5.405 7.347 1.00 0.00 H new ATOM 1667 N ILE A 103 11.074 1.531 2.308 1.00 0.00 N ATOM 1668 CA ILE A 103 11.931 1.153 1.207 1.00 0.00 C ATOM 1669 C ILE A 103 11.206 1.330 -0.118 1.00 0.00 C ATOM 1670 O ILE A 103 11.758 1.882 -1.054 1.00 0.00 O ATOM 1671 CB ILE A 103 12.450 -0.288 1.363 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.385 -0.363 2.577 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.239 -0.698 0.105 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.724 -1.826 2.876 1.00 0.00 C ATOM 0 H ILE A 103 10.792 0.764 2.918 1.00 0.00 H new ATOM 0 HA ILE A 103 12.798 1.814 1.217 1.00 0.00 H new ATOM 0 HB ILE A 103 11.602 -0.959 1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.298 0.199 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.909 0.095 3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.604 -1.719 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.588 -0.642 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.085 -0.024 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.388 -1.877 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.807 -2.375 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.218 -2.269 2.011 1.00 0.00 H new ATOM 1686 N ASN A 104 9.959 0.874 -0.175 1.00 0.00 N ATOM 1687 CA ASN A 104 9.154 0.947 -1.400 1.00 0.00 C ATOM 1688 C ASN A 104 7.691 1.104 -1.051 1.00 0.00 C ATOM 1689 O ASN A 104 7.227 0.541 -0.057 1.00 0.00 O ATOM 1690 CB ASN A 104 9.326 -0.343 -2.210 1.00 0.00 C ATOM 1691 CG ASN A 104 8.634 -0.231 -3.572 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.974 0.756 -3.866 1.00 0.00 O ATOM 1693 ND2 ASN A 104 8.762 -1.183 -4.428 1.00 0.00 N ATOM 0 H ASN A 104 9.477 0.446 0.616 1.00 0.00 H new ATOM 0 HA ASN A 104 9.488 1.804 -1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.387 -0.549 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.910 -1.184 -1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.315 -1.110 -5.342 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.310 -2.010 -4.193 1.00 0.00 H new ATOM 1700 N MET A 105 6.944 1.745 -1.925 1.00 0.00 N ATOM 1701 CA MET A 105 5.499 1.843 -1.779 1.00 0.00 C ATOM 1702 C MET A 105 4.853 2.315 -3.073 1.00 0.00 C ATOM 1703 O MET A 105 5.221 3.364 -3.629 1.00 0.00 O ATOM 1704 CB MET A 105 5.098 2.697 -0.547 1.00 0.00 C ATOM 1705 CG MET A 105 4.373 3.993 -0.952 1.00 0.00 C ATOM 1706 SD MET A 105 2.710 3.609 -1.567 1.00 0.00 S ATOM 1707 CE MET A 105 1.967 3.145 0.019 1.00 0.00 C ATOM 0 H MET A 105 7.314 2.212 -2.753 1.00 0.00 H new ATOM 0 HA MET A 105 5.109 0.844 -1.581 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.452 2.110 0.106 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.991 2.946 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.307 4.665 -0.096 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.943 4.513 -1.722 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.891 3.314 -0.020 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.162 2.091 0.217 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.401 3.750 0.815 1.00 0.00 H new ATOM 1717 N TYR A 106 3.910 1.529 -3.566 1.00 0.00 N ATOM 1718 CA TYR A 106 3.244 1.827 -4.821 1.00 0.00 C ATOM 1719 C TYR A 106 1.783 1.431 -4.779 1.00 0.00 C ATOM 1720 O TYR A 106 1.356 0.675 -3.895 1.00 0.00 O ATOM 1721 CB TYR A 106 3.959 1.153 -5.999 1.00 0.00 C ATOM 1722 CG TYR A 106 4.053 -0.337 -5.787 1.00 0.00 C ATOM 1723 CD1 TYR A 106 5.144 -0.873 -5.095 1.00 0.00 C ATOM 1724 CD2 TYR A 106 3.062 -1.182 -6.292 1.00 0.00 C ATOM 1725 CE1 TYR A 106 5.242 -2.249 -4.909 1.00 0.00 C ATOM 1726 CE2 TYR A 106 3.162 -2.561 -6.107 1.00 0.00 C ATOM 1727 CZ TYR A 106 4.253 -3.093 -5.415 1.00 0.00 C ATOM 1728 OH TYR A 106 4.355 -4.452 -5.233 1.00 0.00 O ATOM 0 H TYR A 106 3.588 0.674 -3.112 1.00 0.00 H new ATOM 0 HA TYR A 106 3.292 2.906 -4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.420 1.360 -6.924 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.959 1.573 -6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.910 -0.219 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.219 -0.768 -6.825 1.00 0.00 H new ATOM 0 HE1 TYR A 106 6.083 -2.663 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.398 -3.216 -6.498 1.00 0.00 H new ATOM 0 HH TYR A 106 3.585 -4.896 -5.645 1.00 0.00 H new ATOM 1738 N VAL A 107 1.014 1.973 -5.710 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.410 1.718 -5.767 1.00 0.00 C ATOM 1740 C VAL A 107 -0.756 1.013 -7.068 1.00 0.00 C ATOM 1741 O VAL A 107 -0.374 1.464 -8.159 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.180 3.049 -5.648 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.666 2.846 -5.967 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.038 3.596 -4.226 1.00 0.00 C ATOM 0 H VAL A 107 1.359 2.596 -6.440 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.698 1.073 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.761 3.757 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.191 3.797 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.772 2.468 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.094 2.128 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.582 4.537 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.446 2.876 -3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.016 3.766 -4.005 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.461 -0.091 -6.944 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.879 -0.883 -8.078 1.00 0.00 C ATOM 1756 C ASP A 108 -3.332 -0.588 -8.399 1.00 0.00 C ATOM 1757 O ASP A 108 -4.237 -0.975 -7.641 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.721 -2.373 -7.763 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.793 -3.214 -9.026 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.246 -2.714 -10.039 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -1.384 -4.356 -8.967 1.00 0.00 O ATOM 0 H ASP A 108 -1.762 -0.466 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.256 -0.629 -8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.767 -2.542 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.502 -2.685 -7.070 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.562 0.092 -9.502 1.00 0.00 N ATOM 1767 CA VAL A 109 -4.908 0.423 -9.921 1.00 0.00 C ATOM 1768 C VAL A 109 -5.272 -0.377 -11.166 1.00 0.00 C ATOM 1769 O VAL A 109 -4.582 -0.296 -12.190 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.028 1.933 -10.201 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.506 2.329 -10.298 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.373 2.721 -9.057 1.00 0.00 C ATOM 0 H VAL A 109 -2.830 0.428 -10.128 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.601 0.167 -9.119 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.527 2.161 -11.142 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.584 3.398 -10.496 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.979 1.774 -11.108 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.007 2.097 -9.358 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.458 3.789 -9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.875 2.485 -8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.320 2.448 -8.984 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.299 -1.184 -11.098 1.00 0.00 N ATOM 1783 CA PRO A 110 -6.704 -1.986 -12.285 1.00 0.00 C ATOM 1784 C PRO A 110 -7.154 -1.066 -13.412 1.00 0.00 C ATOM 1785 O PRO A 110 -7.852 -0.077 -13.179 1.00 0.00 O ATOM 1786 CB PRO A 110 -7.882 -2.816 -11.767 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.481 -1.984 -10.684 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.314 -1.254 -10.022 1.00 0.00 C ATOM 0 HA PRO A 110 -5.897 -2.598 -12.688 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -8.604 -3.016 -12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.550 -3.782 -11.387 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.204 -1.277 -11.090 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.012 -2.605 -9.963 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.604 -0.261 -9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.942 -1.796 -9.153 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.782 -1.400 -14.623 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.154 -0.607 -15.781 1.00 0.00 C ATOM 1798 C GLY A 111 -6.362 0.696 -15.835 1.00 0.00 C ATOM 1799 O GLY A 111 -6.421 1.422 -16.833 1.00 0.00 O ATOM 0 H GLY A 111 -6.217 -2.221 -14.839 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.977 -1.181 -16.690 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.221 -0.386 -15.746 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.623 0.998 -14.770 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.820 2.214 -14.714 1.00 0.00 C ATOM 1805 C GLU A 112 -3.347 1.962 -14.507 1.00 0.00 C ATOM 1806 O GLU A 112 -2.892 0.815 -14.437 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.352 3.249 -13.721 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.487 4.047 -14.374 1.00 0.00 C ATOM 1809 CD GLU A 112 -5.975 4.780 -15.621 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -4.770 5.009 -15.726 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -6.783 5.096 -16.463 1.00 0.00 O ATOM 0 H GLU A 112 -5.565 0.416 -13.934 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.924 2.646 -15.709 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.713 2.753 -12.820 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.550 3.921 -13.415 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.302 3.376 -14.647 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.891 4.766 -13.662 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.593 3.039 -14.593 1.00 0.00 N ATOM 1819 CA LYS A 113 -1.152 2.981 -14.574 1.00 0.00 C ATOM 1820 C LYS A 113 -0.642 2.667 -13.204 1.00 0.00 C ATOM 1821 O LYS A 113 -1.220 3.074 -12.196 1.00 0.00 O ATOM 1822 CB LYS A 113 -0.554 4.314 -15.027 1.00 0.00 C ATOM 1823 CG LYS A 113 -1.353 4.876 -16.197 1.00 0.00 C ATOM 1824 CD LYS A 113 -1.659 3.761 -17.191 1.00 0.00 C ATOM 1825 CE LYS A 113 -2.346 4.359 -18.397 1.00 0.00 C ATOM 1826 NZ LYS A 113 -3.582 5.086 -17.960 1.00 0.00 N ATOM 0 H LYS A 113 -2.969 3.983 -14.678 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.850 2.189 -15.259 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.558 5.023 -14.199 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.486 4.174 -15.321 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.281 5.320 -15.837 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.789 5.669 -16.688 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.739 3.260 -17.491 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.296 3.007 -16.728 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.671 5.044 -18.911 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.605 3.574 -19.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.326 4.968 -18.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.910 4.698 -17.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.368 6.097 -17.847 1.00 0.00 H new ATOM 1840 N ARG A 114 0.482 2.022 -13.181 1.00 0.00 N ATOM 1841 CA ARG A 114 1.167 1.727 -11.945 1.00 0.00 C ATOM 1842 C ARG A 114 1.705 3.015 -11.344 1.00 0.00 C ATOM 1843 O ARG A 114 2.257 3.858 -12.059 1.00 0.00 O ATOM 1844 CB ARG A 114 2.301 0.743 -12.207 1.00 0.00 C ATOM 1845 CG ARG A 114 3.163 1.252 -13.377 1.00 0.00 C ATOM 1846 CD ARG A 114 3.935 0.091 -13.980 1.00 0.00 C ATOM 1847 NE ARG A 114 4.923 -0.427 -13.039 1.00 0.00 N ATOM 1848 CZ ARG A 114 6.173 0.032 -12.981 1.00 0.00 C ATOM 1849 NH1 ARG A 114 6.554 0.998 -13.776 1.00 0.00 N ATOM 1850 NH2 ARG A 114 7.003 -0.467 -12.108 1.00 0.00 N ATOM 0 H ARG A 114 0.958 1.681 -14.016 1.00 0.00 H new ATOM 0 HA ARG A 114 0.471 1.274 -11.239 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.913 0.631 -11.312 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.896 -0.241 -12.441 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.530 1.714 -14.135 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.854 2.019 -13.027 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.243 -0.703 -14.260 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.433 0.417 -14.893 1.00 0.00 H new ATOM 0 HE ARG A 114 4.645 -1.171 -12.399 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.894 1.401 -14.441 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.511 1.348 -13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.694 -1.204 -11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.961 -0.120 -12.059 1.00 0.00 H new ATOM 1864 N TYR A 115 1.515 3.189 -10.055 1.00 0.00 N ATOM 1865 CA TYR A 115 1.949 4.404 -9.389 1.00 0.00 C ATOM 1866 C TYR A 115 2.818 4.053 -8.201 1.00 0.00 C ATOM 1867 O TYR A 115 2.342 3.429 -7.244 1.00 0.00 O ATOM 1868 CB TYR A 115 0.719 5.186 -8.910 1.00 0.00 C ATOM 1869 CG TYR A 115 1.138 6.528 -8.359 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.491 6.658 -7.015 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.169 7.641 -9.200 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.873 7.904 -6.515 1.00 0.00 C ATOM 1873 CE2 TYR A 115 1.553 8.883 -8.702 1.00 0.00 C ATOM 1874 CZ TYR A 115 1.904 9.017 -7.361 1.00 0.00 C ATOM 1875 OH TYR A 115 2.283 10.248 -6.869 1.00 0.00 O ATOM 0 H TYR A 115 1.064 2.507 -9.445 1.00 0.00 H new ATOM 0 HA TYR A 115 2.523 5.014 -10.086 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.023 5.325 -9.737 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.193 4.617 -8.143 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.469 5.797 -6.364 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.894 7.539 -10.240 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.145 8.008 -5.475 1.00 0.00 H new ATOM 0 HE2 TYR A 115 1.579 9.742 -9.355 1.00 0.00 H new ATOM 0 HH TYR A 115 2.250 10.912 -7.589 1.00 0.00 H new ATOM 1885 N TYR A 116 4.072 4.490 -8.226 1.00 0.00 N ATOM 1886 CA TYR A 116 4.980 4.227 -7.115 1.00 0.00 C ATOM 1887 C TYR A 116 5.160 5.481 -6.287 1.00 0.00 C ATOM 1888 O TYR A 116 5.979 6.346 -6.617 1.00 0.00 O ATOM 1889 CB TYR A 116 6.345 3.747 -7.635 1.00 0.00 C ATOM 1890 CG TYR A 116 6.207 2.391 -8.293 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.531 2.278 -9.512 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.770 1.251 -7.697 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.413 1.039 -10.136 1.00 0.00 C ATOM 1894 CE2 TYR A 116 6.647 0.004 -8.327 1.00 0.00 C ATOM 1895 CZ TYR A 116 5.968 -0.099 -9.548 1.00 0.00 C ATOM 1896 OH TYR A 116 5.854 -1.322 -10.180 1.00 0.00 O ATOM 0 H TYR A 116 4.480 5.022 -8.994 1.00 0.00 H new ATOM 0 HA TYR A 116 4.548 3.443 -6.493 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.744 4.467 -8.350 1.00 0.00 H new ATOM 0 HB3 TYR A 116 7.056 3.689 -6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.099 3.155 -9.971 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.296 1.334 -6.757 1.00 0.00 H new ATOM 0 HE1 TYR A 116 4.891 0.958 -11.078 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.075 -0.876 -7.871 1.00 0.00 H new ATOM 0 HH TYR A 116 6.295 -2.011 -9.641 1.00 0.00 H new ATOM 1906 N LEU A 117 4.423 5.562 -5.191 1.00 0.00 N ATOM 1907 CA LEU A 117 4.524 6.692 -4.283 1.00 0.00 C ATOM 1908 C LEU A 117 5.911 6.744 -3.655 1.00 0.00 C ATOM 1909 O LEU A 117 6.531 7.808 -3.580 1.00 0.00 O ATOM 1910 CB LEU A 117 3.427 6.628 -3.214 1.00 0.00 C ATOM 1911 CG LEU A 117 3.544 7.821 -2.250 1.00 0.00 C ATOM 1912 CD1 LEU A 117 3.436 9.153 -3.011 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.429 7.739 -1.215 1.00 0.00 C ATOM 0 H LEU A 117 3.745 4.854 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 117 4.377 7.611 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.446 6.632 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.507 5.694 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 117 4.517 7.780 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.522 9.982 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.237 9.217 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.472 9.205 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.507 8.582 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.463 7.769 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.519 6.807 -0.657 1.00 0.00 H new ATOM 1925 N ILE A 118 6.414 5.587 -3.259 1.00 0.00 N ATOM 1926 CA ILE A 118 7.766 5.484 -2.731 1.00 0.00 C ATOM 1927 C ILE A 118 8.543 4.476 -3.567 1.00 0.00 C ATOM 1928 O ILE A 118 8.117 3.337 -3.720 1.00 0.00 O ATOM 1929 CB ILE A 118 7.729 5.050 -1.251 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.968 6.100 -0.426 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.157 4.916 -0.704 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.757 5.587 1.000 1.00 0.00 C ATOM 0 H ILE A 118 5.906 4.703 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 118 8.259 6.455 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 118 7.225 4.086 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.527 7.035 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.006 6.314 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.119 4.609 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.699 4.168 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.668 5.876 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.217 6.336 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.179 4.663 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.724 5.396 1.465 1.00 0.00 H new ATOM 1944 N LYS A 119 9.662 4.899 -4.122 1.00 0.00 N ATOM 1945 CA LYS A 119 10.463 4.014 -4.963 1.00 0.00 C ATOM 1946 C LYS A 119 11.440 3.208 -4.115 1.00 0.00 C ATOM 1947 O LYS A 119 12.014 3.731 -3.155 1.00 0.00 O ATOM 1948 CB LYS A 119 11.242 4.808 -6.032 1.00 0.00 C ATOM 1949 CG LYS A 119 10.416 6.001 -6.553 1.00 0.00 C ATOM 1950 CD LYS A 119 9.146 5.495 -7.261 1.00 0.00 C ATOM 1951 CE LYS A 119 8.694 6.498 -8.342 1.00 0.00 C ATOM 1952 NZ LYS A 119 9.193 7.862 -8.019 1.00 0.00 N ATOM 0 H LYS A 119 10.039 5.840 -4.011 1.00 0.00 H new ATOM 0 HA LYS A 119 9.777 3.334 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.180 5.169 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.499 4.150 -6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.144 6.655 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.015 6.594 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.339 4.523 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.348 5.353 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.070 6.187 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.606 6.507 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.617 8.570 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 9.126 8.022 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 10.185 7.949 -8.319 1.00 0.00 H new ATOM 1966 N PRO A 120 11.710 1.988 -4.507 1.00 0.00 N ATOM 1967 CA PRO A 120 12.719 1.143 -3.824 1.00 0.00 C ATOM 1968 C PRO A 120 14.132 1.600 -4.123 1.00 0.00 C ATOM 1969 O PRO A 120 14.344 2.712 -4.607 1.00 0.00 O ATOM 1970 CB PRO A 120 12.467 -0.276 -4.329 1.00 0.00 C ATOM 1971 CG PRO A 120 11.604 -0.138 -5.542 1.00 0.00 C ATOM 1972 CD PRO A 120 10.909 1.224 -5.471 1.00 0.00 C ATOM 0 HA PRO A 120 12.623 1.206 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.405 -0.775 -4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 120 11.974 -0.879 -3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.205 -0.213 -6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 120 10.868 -0.941 -5.580 1.00 0.00 H new ATOM 0 HD2 PRO A 120 10.888 1.711 -6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 120 9.875 1.127 -5.141 1.00 0.00 H new ATOM 1980 N LYS A 121 15.096 0.780 -3.760 1.00 0.00 N ATOM 1981 CA LYS A 121 16.488 1.158 -3.899 1.00 0.00 C ATOM 1982 C LYS A 121 16.810 1.390 -5.366 1.00 0.00 C ATOM 1983 O LYS A 121 17.459 2.366 -5.719 1.00 0.00 O ATOM 1984 CB LYS A 121 17.402 0.062 -3.338 1.00 0.00 C ATOM 1985 CG LYS A 121 16.937 -0.358 -1.931 1.00 0.00 C ATOM 1986 CD LYS A 121 16.533 0.868 -1.099 1.00 0.00 C ATOM 1987 CE LYS A 121 16.676 0.569 0.402 1.00 0.00 C ATOM 1988 NZ LYS A 121 16.448 -0.882 0.676 1.00 0.00 N ATOM 0 H LYS A 121 14.943 -0.149 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 121 16.658 2.076 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.395 -0.802 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.430 0.423 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.092 -1.042 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.737 -0.898 -1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.158 1.720 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.503 1.145 -1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 121 17.671 0.856 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 121 15.961 1.167 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 16.098 -1.001 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 15.745 -1.255 0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.342 -1.401 0.564 1.00 0.00 H new