USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 817 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 67 HIS : no HE2:sc= -2.11! C(o=-4.9!,f=-23!) USER MOD Set 1.2: A 80 MET CE :methyl 171:sc= -2.82! (180deg=-0.00063) USER MOD Set 2.1: A 63 ASN :FLIP amide:sc= -0.0814 F(o=-6.2!,f=-3.7) USER MOD Set 2.2: A 74 TYR OH : rot 28:sc= -3.63! USER MOD Set 3.1: A 40 SER OG : rot -106:sc= -0.999! USER MOD Set 3.2: A 52 ASN : amide:sc= -4.44! C(o=-5.4!,f=-15!) USER MOD Set 4.1: A 49 THR OG1 : rot -130:sc= -0.223 USER MOD Set 4.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 19 THR OG1 : rot -84:sc= -0.965! USER MOD Set 5.2: A 31 ASN :FLIP amide:sc= -0.547! C(o=-8.8!,f=-1.5!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -42:sc= 0.749 USER MOD Single : A -2 LYS NZ :NH3+ -163:sc= -1.31 (180deg=-2.27!) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -32:sc= 0.941 USER MOD Single : A 14 CYS SG : rot -125:sc= -3.02! USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -1.25! C(o=-1.2!,f=-10!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -1.48! C(o=-1.5!,f=-4.5!) USER MOD Single : A 39 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2.1!) USER MOD Single : A 42 GLN : amide:sc= -0.903 K(o=-0.9,f=-4.7!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.29 K(o=-2.3,f=-3.2!) USER MOD Single : A 62 ASN : amide:sc= -1.43! C(o=-1.4!,f=-6.8!) USER MOD Single : A 64 MET CE :methyl -132:sc= -1.46 (180deg=-1.94!) USER MOD Single : A 65 SER OG : rot -42:sc= 0.898 USER MOD Single : A 69 THR OG1 : rot 75:sc= -3.4! USER MOD Single : A 70 ASN : amide:sc=-0.00807 K(o=-0.0081,f=-1.7) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= -1.22 (180deg=-1.25) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0524 K(o=-0.052,f=-1.8!) USER MOD Single : A 96 THR OG1 : rot 68:sc= 0.453 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -15.166 -6.194 3.187 1.00 0.00 N ATOM 33 CA PHE A -3 -14.172 -5.759 4.209 1.00 0.00 C ATOM 34 C PHE A -3 -14.558 -6.331 5.574 1.00 0.00 C ATOM 35 O PHE A -3 -15.669 -6.162 6.035 1.00 0.00 O ATOM 36 CB PHE A -3 -14.167 -4.230 4.288 1.00 0.00 C ATOM 37 CG PHE A -3 -13.083 -3.774 5.237 1.00 0.00 C ATOM 38 CD1 PHE A -3 -13.338 -3.708 6.613 1.00 0.00 C ATOM 39 CD2 PHE A -3 -11.822 -3.418 4.741 1.00 0.00 C ATOM 40 CE1 PHE A -3 -12.334 -3.286 7.492 1.00 0.00 C ATOM 41 CE2 PHE A -3 -10.819 -2.994 5.621 1.00 0.00 C ATOM 42 CZ PHE A -3 -11.075 -2.929 6.995 1.00 0.00 C ATOM 0 H1 PHE A -3 -14.903 -5.805 2.259 1.00 0.00 H new ATOM 0 H2 PHE A -3 -15.179 -7.233 3.136 1.00 0.00 H new ATOM 0 H3 PHE A -3 -16.110 -5.849 3.452 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.182 -6.119 3.930 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -14.000 -3.805 3.298 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -15.138 -3.870 4.629 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -14.310 -3.983 6.996 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -11.624 -3.471 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -12.530 -3.236 8.553 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -9.847 -2.717 5.239 1.00 0.00 H new ATOM 0 HZ PHE A -3 -10.300 -2.603 7.673 1.00 0.00 H new ATOM 52 N LYS A -2 -13.649 -7.001 6.229 1.00 0.00 N ATOM 53 CA LYS A -2 -13.970 -7.571 7.567 1.00 0.00 C ATOM 54 C LYS A -2 -13.521 -6.594 8.652 1.00 0.00 C ATOM 55 O LYS A -2 -12.406 -6.113 8.643 1.00 0.00 O ATOM 56 CB LYS A -2 -13.239 -8.903 7.748 1.00 0.00 C ATOM 57 CG LYS A -2 -13.708 -9.567 9.043 1.00 0.00 C ATOM 58 CD LYS A -2 -13.052 -10.943 9.182 1.00 0.00 C ATOM 59 CE LYS A -2 -11.547 -10.775 9.398 1.00 0.00 C ATOM 60 NZ LYS A -2 -11.010 -11.980 10.092 1.00 0.00 N ATOM 0 H LYS A -2 -12.701 -7.178 5.896 1.00 0.00 H new ATOM 0 HA LYS A -2 -15.045 -7.736 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -13.436 -9.557 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -12.162 -8.738 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -13.450 -8.942 9.898 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -14.793 -9.669 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -13.492 -11.484 10.020 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -13.237 -11.537 8.287 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.044 -10.638 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -11.351 -9.882 9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -10.076 -11.762 10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.659 -12.259 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -10.920 -12.761 9.411 1.00 0.00 H new ATOM 74 N ALA A -1 -14.377 -6.296 9.590 1.00 0.00 N ATOM 75 CA ALA A -1 -13.985 -5.350 10.672 1.00 0.00 C ATOM 76 C ALA A -1 -12.629 -5.766 11.236 1.00 0.00 C ATOM 77 O ALA A -1 -12.542 -6.546 12.165 1.00 0.00 O ATOM 78 CB ALA A -1 -15.030 -5.381 11.786 1.00 0.00 C ATOM 0 H ALA A -1 -15.326 -6.664 9.654 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.921 -4.340 10.267 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.740 -4.688 12.576 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -16.000 -5.088 11.384 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -15.097 -6.389 12.194 1.00 0.00 H new ATOM 84 N GLY A 1 -11.569 -5.254 10.678 1.00 0.00 N ATOM 85 CA GLY A 1 -10.211 -5.619 11.173 1.00 0.00 C ATOM 86 C GLY A 1 -9.627 -4.454 11.972 1.00 0.00 C ATOM 87 O GLY A 1 -9.703 -3.311 11.568 1.00 0.00 O ATOM 0 H GLY A 1 -11.583 -4.597 9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.268 -6.510 11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.559 -5.860 10.333 1.00 0.00 H new ATOM 91 N SER A 2 -9.044 -4.731 13.106 1.00 0.00 N ATOM 92 CA SER A 2 -8.457 -3.633 13.925 1.00 0.00 C ATOM 93 C SER A 2 -7.223 -3.077 13.211 1.00 0.00 C ATOM 94 O SER A 2 -6.574 -3.763 12.446 1.00 0.00 O ATOM 95 CB SER A 2 -8.053 -4.177 15.294 1.00 0.00 C ATOM 96 OG SER A 2 -6.875 -4.962 15.160 1.00 0.00 O ATOM 0 H SER A 2 -8.949 -5.667 13.500 1.00 0.00 H new ATOM 0 HA SER A 2 -9.193 -2.840 14.055 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.878 -3.354 15.988 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.860 -4.780 15.711 1.00 0.00 H new ATOM 0 HG SER A 2 -6.613 -5.311 16.037 1.00 0.00 H new ATOM 102 N ALA A 3 -6.893 -1.839 13.455 1.00 0.00 N ATOM 103 CA ALA A 3 -5.702 -1.241 12.789 1.00 0.00 C ATOM 104 C ALA A 3 -4.473 -1.396 13.688 1.00 0.00 C ATOM 105 O ALA A 3 -3.359 -1.138 13.277 1.00 0.00 O ATOM 106 CB ALA A 3 -5.959 0.246 12.530 1.00 0.00 C ATOM 0 H ALA A 3 -7.396 -1.216 14.086 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.522 -1.753 11.844 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.089 0.686 12.043 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.831 0.358 11.886 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.140 0.754 13.477 1.00 0.00 H new ATOM 112 N LYS A 4 -4.662 -1.803 14.913 1.00 0.00 N ATOM 113 CA LYS A 4 -3.495 -1.957 15.828 1.00 0.00 C ATOM 114 C LYS A 4 -2.504 -2.967 15.244 1.00 0.00 C ATOM 115 O LYS A 4 -1.316 -2.720 15.188 1.00 0.00 O ATOM 116 CB LYS A 4 -3.980 -2.453 17.192 1.00 0.00 C ATOM 117 CG LYS A 4 -4.871 -1.387 17.837 1.00 0.00 C ATOM 118 CD LYS A 4 -5.258 -1.831 19.248 1.00 0.00 C ATOM 119 CE LYS A 4 -6.244 -0.825 19.847 1.00 0.00 C ATOM 120 NZ LYS A 4 -5.960 -0.659 21.301 1.00 0.00 N ATOM 0 H LYS A 4 -5.569 -2.035 15.319 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.000 -0.993 15.942 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.535 -3.384 17.076 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.128 -2.668 17.837 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.345 -0.433 17.876 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.766 -1.233 17.234 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.708 -2.823 19.218 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.369 -1.903 19.875 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.157 0.134 19.336 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.267 -1.172 19.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.629 0.024 21.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.064 -1.575 21.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.988 -0.310 21.427 1.00 0.00 H new ATOM 134 N LYS A 5 -2.978 -4.103 14.806 1.00 0.00 N ATOM 135 CA LYS A 5 -2.051 -5.116 14.227 1.00 0.00 C ATOM 136 C LYS A 5 -1.470 -4.585 12.915 1.00 0.00 C ATOM 137 O LYS A 5 -0.273 -4.587 12.706 1.00 0.00 O ATOM 138 CB LYS A 5 -2.818 -6.413 13.957 1.00 0.00 C ATOM 139 CG LYS A 5 -3.307 -7.001 15.282 1.00 0.00 C ATOM 140 CD LYS A 5 -3.973 -8.354 15.025 1.00 0.00 C ATOM 141 CE LYS A 5 -4.570 -8.885 16.329 1.00 0.00 C ATOM 142 NZ LYS A 5 -3.832 -10.110 16.751 1.00 0.00 N ATOM 0 H LYS A 5 -3.962 -4.372 14.824 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.241 -5.312 14.930 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.665 -6.217 13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.175 -7.128 13.445 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.470 -7.121 15.970 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.014 -6.320 15.756 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.754 -8.250 14.271 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.243 -9.062 14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.507 -8.124 17.107 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.627 -9.114 16.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.238 -10.471 17.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.914 -10.837 16.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.829 -9.878 16.899 1.00 0.00 H new ATOM 156 N GLY A 6 -2.314 -4.126 12.032 1.00 0.00 N ATOM 157 CA GLY A 6 -1.824 -3.591 10.731 1.00 0.00 C ATOM 158 C GLY A 6 -0.975 -2.341 10.966 1.00 0.00 C ATOM 159 O GLY A 6 -0.041 -2.068 10.239 1.00 0.00 O ATOM 0 H GLY A 6 -3.326 -4.099 12.157 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.235 -4.349 10.215 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.669 -3.351 10.086 1.00 0.00 H new ATOM 163 N ALA A 7 -1.296 -1.571 11.971 1.00 0.00 N ATOM 164 CA ALA A 7 -0.510 -0.335 12.238 1.00 0.00 C ATOM 165 C ALA A 7 0.958 -0.697 12.455 1.00 0.00 C ATOM 166 O ALA A 7 1.847 -0.067 11.918 1.00 0.00 O ATOM 167 CB ALA A 7 -1.055 0.355 13.490 1.00 0.00 C ATOM 0 H ALA A 7 -2.067 -1.745 12.616 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.594 0.338 11.385 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.480 1.260 13.686 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.102 0.617 13.335 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.972 -0.319 14.342 1.00 0.00 H new ATOM 173 N THR A 8 1.222 -1.710 13.231 1.00 0.00 N ATOM 174 CA THR A 8 2.633 -2.109 13.467 1.00 0.00 C ATOM 175 C THR A 8 3.188 -2.755 12.198 1.00 0.00 C ATOM 176 O THR A 8 4.333 -2.553 11.838 1.00 0.00 O ATOM 177 CB THR A 8 2.687 -3.112 14.621 1.00 0.00 C ATOM 178 OG1 THR A 8 2.028 -4.310 14.237 1.00 0.00 O ATOM 179 CG2 THR A 8 1.996 -2.518 15.849 1.00 0.00 C ATOM 0 H THR A 8 0.522 -2.277 13.710 1.00 0.00 H new ATOM 0 HA THR A 8 3.230 -1.233 13.721 1.00 0.00 H new ATOM 0 HB THR A 8 3.727 -3.331 14.863 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.205 -4.090 13.753 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.035 -3.234 16.670 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.504 -1.599 16.143 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.956 -2.297 15.610 1.00 0.00 H new ATOM 187 N LEU A 9 2.383 -3.517 11.506 1.00 0.00 N ATOM 188 CA LEU A 9 2.871 -4.155 10.251 1.00 0.00 C ATOM 189 C LEU A 9 3.305 -3.048 9.297 1.00 0.00 C ATOM 190 O LEU A 9 4.323 -3.134 8.640 1.00 0.00 O ATOM 191 CB LEU A 9 1.736 -4.965 9.617 1.00 0.00 C ATOM 192 CG LEU A 9 2.273 -5.751 8.419 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.882 -7.068 8.900 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.126 -6.048 7.449 1.00 0.00 C ATOM 0 H LEU A 9 1.415 -3.724 11.754 1.00 0.00 H new ATOM 0 HA LEU A 9 3.707 -4.822 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.309 -5.648 10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.934 -4.299 9.298 1.00 0.00 H new ATOM 0 HG LEU A 9 3.037 -5.161 7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.264 -7.626 8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.698 -6.860 9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.119 -7.658 9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.507 -6.608 6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.363 -6.637 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.690 -5.111 7.103 1.00 0.00 H new ATOM 206 N PHE A 10 2.537 -1.996 9.239 1.00 0.00 N ATOM 207 CA PHE A 10 2.887 -0.853 8.357 1.00 0.00 C ATOM 208 C PHE A 10 4.200 -0.241 8.843 1.00 0.00 C ATOM 209 O PHE A 10 5.096 0.050 8.073 1.00 0.00 O ATOM 210 CB PHE A 10 1.770 0.193 8.448 1.00 0.00 C ATOM 211 CG PHE A 10 2.043 1.327 7.490 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.607 1.245 6.162 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.726 2.464 7.934 1.00 0.00 C ATOM 214 CE1 PHE A 10 1.859 2.302 5.278 1.00 0.00 C ATOM 215 CE2 PHE A 10 2.978 3.518 7.051 1.00 0.00 C ATOM 216 CZ PHE A 10 2.545 3.438 5.724 1.00 0.00 C ATOM 0 H PHE A 10 1.674 -1.880 9.771 1.00 0.00 H new ATOM 0 HA PHE A 10 2.998 -1.186 7.325 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.810 -0.267 8.215 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.701 0.575 9.466 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.077 0.368 5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.059 2.528 8.959 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.524 2.241 4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.507 4.395 7.394 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.740 4.253 5.043 1.00 0.00 H new ATOM 226 N LYS A 11 4.309 -0.041 10.127 1.00 0.00 N ATOM 227 CA LYS A 11 5.545 0.553 10.705 1.00 0.00 C ATOM 228 C LYS A 11 6.747 -0.360 10.448 1.00 0.00 C ATOM 229 O LYS A 11 7.842 0.097 10.183 1.00 0.00 O ATOM 230 CB LYS A 11 5.358 0.714 12.216 1.00 0.00 C ATOM 231 CG LYS A 11 6.507 1.544 12.789 1.00 0.00 C ATOM 232 CD LYS A 11 6.352 1.650 14.308 1.00 0.00 C ATOM 233 CE LYS A 11 7.423 2.590 14.868 1.00 0.00 C ATOM 234 NZ LYS A 11 8.671 1.819 15.131 1.00 0.00 N ATOM 0 H LYS A 11 3.584 -0.267 10.808 1.00 0.00 H new ATOM 0 HA LYS A 11 5.727 1.520 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.405 1.200 12.425 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.328 -0.264 12.695 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.462 1.081 12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.509 2.538 12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.359 2.024 14.557 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.445 0.664 14.763 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.622 3.395 14.160 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.069 3.055 15.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.399 2.457 15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.475 1.066 15.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.011 1.395 14.244 1.00 0.00 H new ATOM 248 N THR A 12 6.557 -1.643 10.564 1.00 0.00 N ATOM 249 CA THR A 12 7.694 -2.591 10.370 1.00 0.00 C ATOM 250 C THR A 12 8.112 -2.680 8.897 1.00 0.00 C ATOM 251 O THR A 12 9.281 -2.818 8.597 1.00 0.00 O ATOM 252 CB THR A 12 7.274 -3.980 10.855 1.00 0.00 C ATOM 253 OG1 THR A 12 6.229 -4.473 10.029 1.00 0.00 O ATOM 254 CG2 THR A 12 6.786 -3.892 12.302 1.00 0.00 C ATOM 0 H THR A 12 5.662 -2.080 10.785 1.00 0.00 H new ATOM 0 HA THR A 12 8.545 -2.222 10.942 1.00 0.00 H new ATOM 0 HB THR A 12 8.127 -4.656 10.803 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.682 -3.724 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.487 -4.882 12.646 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.590 -3.515 12.935 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.933 -3.216 12.358 1.00 0.00 H new ATOM 262 N ARG A 13 7.186 -2.630 7.975 1.00 0.00 N ATOM 263 CA ARG A 13 7.578 -2.746 6.538 1.00 0.00 C ATOM 264 C ARG A 13 6.758 -1.788 5.669 1.00 0.00 C ATOM 265 O ARG A 13 6.145 -2.198 4.703 1.00 0.00 O ATOM 266 CB ARG A 13 7.327 -4.181 6.050 1.00 0.00 C ATOM 267 CG ARG A 13 8.152 -5.190 6.862 1.00 0.00 C ATOM 268 CD ARG A 13 9.637 -5.077 6.497 1.00 0.00 C ATOM 269 NE ARG A 13 10.373 -6.242 7.063 1.00 0.00 N ATOM 270 CZ ARG A 13 11.632 -6.421 6.771 1.00 0.00 C ATOM 271 NH1 ARG A 13 12.246 -5.582 5.983 1.00 0.00 N ATOM 272 NH2 ARG A 13 12.278 -7.442 7.267 1.00 0.00 N ATOM 0 H ARG A 13 6.188 -2.515 8.151 1.00 0.00 H new ATOM 0 HA ARG A 13 8.635 -2.492 6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.267 -4.419 6.137 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.585 -4.260 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.017 -5.007 7.928 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.798 -6.202 6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.756 -5.048 5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.050 -4.147 6.888 1.00 0.00 H new ATOM 0 HE ARG A 13 9.893 -6.899 7.678 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.742 -4.785 5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.230 -5.723 5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.798 -8.099 7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.262 -7.582 7.039 1.00 0.00 H new ATOM 286 N CYS A 14 6.743 -0.523 5.978 1.00 0.00 N ATOM 287 CA CYS A 14 5.961 0.419 5.127 1.00 0.00 C ATOM 288 C CYS A 14 6.252 1.870 5.521 1.00 0.00 C ATOM 289 O CYS A 14 6.595 2.687 4.692 1.00 0.00 O ATOM 290 CB CYS A 14 4.469 0.128 5.285 1.00 0.00 C ATOM 291 SG CYS A 14 3.600 0.588 3.763 1.00 0.00 S ATOM 0 H CYS A 14 7.230 -0.103 6.770 1.00 0.00 H new ATOM 0 HA CYS A 14 6.253 0.279 4.086 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.314 -0.929 5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.066 0.687 6.130 1.00 0.00 H new ATOM 0 HG CYS A 14 2.635 1.412 4.046 1.00 0.00 H new ATOM 296 N LEU A 15 6.110 2.202 6.772 1.00 0.00 N ATOM 297 CA LEU A 15 6.372 3.608 7.203 1.00 0.00 C ATOM 298 C LEU A 15 7.799 4.009 6.816 1.00 0.00 C ATOM 299 O LEU A 15 8.052 5.133 6.429 1.00 0.00 O ATOM 300 CB LEU A 15 6.205 3.717 8.721 1.00 0.00 C ATOM 301 CG LEU A 15 6.364 5.176 9.170 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.073 5.952 8.905 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.669 5.208 10.668 1.00 0.00 C ATOM 0 H LEU A 15 5.825 1.565 7.516 1.00 0.00 H new ATOM 0 HA LEU A 15 5.664 4.274 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.223 3.344 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.945 3.093 9.221 1.00 0.00 H new ATOM 0 HG LEU A 15 7.179 5.636 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.197 6.986 9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.847 5.929 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.253 5.495 9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.783 6.242 10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.850 4.743 11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.592 4.662 10.863 1.00 0.00 H new ATOM 315 N GLN A 16 8.732 3.108 6.927 1.00 0.00 N ATOM 316 CA GLN A 16 10.139 3.451 6.576 1.00 0.00 C ATOM 317 C GLN A 16 10.211 3.923 5.122 1.00 0.00 C ATOM 318 O GLN A 16 10.986 4.795 4.783 1.00 0.00 O ATOM 319 CB GLN A 16 11.021 2.213 6.752 1.00 0.00 C ATOM 320 CG GLN A 16 11.045 1.810 8.226 1.00 0.00 C ATOM 321 CD GLN A 16 11.898 0.550 8.397 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.181 -0.140 7.439 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.320 0.219 9.586 1.00 0.00 N ATOM 0 H GLN A 16 8.583 2.150 7.245 1.00 0.00 H new ATOM 0 HA GLN A 16 10.489 4.249 7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.639 1.392 6.146 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.033 2.422 6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.451 2.622 8.829 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.031 1.626 8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.082 0.798 10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.888 -0.619 9.711 1.00 0.00 H new ATOM 332 N CYS A 17 9.420 3.350 4.259 1.00 0.00 N ATOM 333 CA CYS A 17 9.458 3.764 2.827 1.00 0.00 C ATOM 334 C CYS A 17 8.373 4.804 2.539 1.00 0.00 C ATOM 335 O CYS A 17 8.601 5.770 1.838 1.00 0.00 O ATOM 336 CB CYS A 17 9.211 2.546 1.939 1.00 0.00 C ATOM 337 SG CYS A 17 10.625 1.421 2.028 1.00 0.00 S ATOM 0 H CYS A 17 8.750 2.614 4.482 1.00 0.00 H new ATOM 0 HA CYS A 17 10.437 4.196 2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.305 2.031 2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.052 2.863 0.908 1.00 0.00 H new ATOM 0 HG CYS A 17 10.405 0.387 1.271 1.00 0.00 H new ATOM 342 N HIS A 18 7.190 4.601 3.049 1.00 0.00 N ATOM 343 CA HIS A 18 6.086 5.566 2.777 1.00 0.00 C ATOM 344 C HIS A 18 5.816 6.427 4.012 1.00 0.00 C ATOM 345 O HIS A 18 5.640 5.929 5.106 1.00 0.00 O ATOM 346 CB HIS A 18 4.818 4.784 2.419 1.00 0.00 C ATOM 347 CG HIS A 18 4.960 4.185 1.048 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.869 4.940 -0.115 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.163 2.894 0.641 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.011 4.098 -1.159 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.191 2.845 -0.745 1.00 0.00 N ATOM 0 H HIS A 18 6.939 3.810 3.642 1.00 0.00 H new ATOM 0 HA HIS A 18 6.374 6.216 1.951 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.645 3.997 3.154 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.951 5.445 2.449 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.722 5.948 -0.169 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.283 2.045 1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.982 4.400 -2.195 1.00 0.00 H new ATOM 359 N THR A 19 5.766 7.720 3.837 1.00 0.00 N ATOM 360 CA THR A 19 5.492 8.624 4.989 1.00 0.00 C ATOM 361 C THR A 19 3.996 8.945 5.026 1.00 0.00 C ATOM 362 O THR A 19 3.507 9.546 5.961 1.00 0.00 O ATOM 363 CB THR A 19 6.290 9.919 4.827 1.00 0.00 C ATOM 364 OG1 THR A 19 5.828 10.618 3.680 1.00 0.00 O ATOM 365 CG2 THR A 19 7.774 9.589 4.662 1.00 0.00 C ATOM 0 H THR A 19 5.904 8.190 2.942 1.00 0.00 H new ATOM 0 HA THR A 19 5.787 8.136 5.918 1.00 0.00 H new ATOM 0 HB THR A 19 6.155 10.542 5.711 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.269 10.262 2.880 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.341 10.512 4.547 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.128 9.053 5.543 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.912 8.966 3.779 1.00 0.00 H new ATOM 373 N VAL A 20 3.277 8.542 4.007 1.00 0.00 N ATOM 374 CA VAL A 20 1.805 8.806 3.943 1.00 0.00 C ATOM 375 C VAL A 20 1.462 10.128 4.631 1.00 0.00 C ATOM 376 O VAL A 20 0.434 10.260 5.263 1.00 0.00 O ATOM 377 CB VAL A 20 1.039 7.664 4.619 1.00 0.00 C ATOM 378 CG1 VAL A 20 0.950 6.475 3.662 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.761 7.230 5.897 1.00 0.00 C ATOM 0 H VAL A 20 3.653 8.034 3.206 1.00 0.00 H new ATOM 0 HA VAL A 20 1.514 8.870 2.895 1.00 0.00 H new ATOM 0 HB VAL A 20 0.037 8.010 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.405 5.662 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.427 6.777 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.954 6.138 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.208 6.418 6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.766 6.889 5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.824 8.074 6.584 1.00 0.00 H new ATOM 389 N GLU A 21 2.311 11.113 4.508 1.00 0.00 N ATOM 390 CA GLU A 21 2.025 12.426 5.149 1.00 0.00 C ATOM 391 C GLU A 21 1.573 13.422 4.079 1.00 0.00 C ATOM 392 O GLU A 21 2.174 13.532 3.030 1.00 0.00 O ATOM 393 CB GLU A 21 3.294 12.948 5.827 1.00 0.00 C ATOM 394 CG GLU A 21 2.971 14.227 6.602 1.00 0.00 C ATOM 395 CD GLU A 21 4.258 14.805 7.195 1.00 0.00 C ATOM 396 OE1 GLU A 21 5.304 14.225 6.966 1.00 0.00 O ATOM 397 OE2 GLU A 21 4.173 15.819 7.868 1.00 0.00 O ATOM 0 H GLU A 21 3.189 11.064 3.991 1.00 0.00 H new ATOM 0 HA GLU A 21 1.238 12.307 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.695 12.192 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.062 13.147 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.503 14.957 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.256 14.012 7.397 1.00 0.00 H new ATOM 404 N LYS A 22 0.520 14.149 4.335 1.00 0.00 N ATOM 405 CA LYS A 22 0.039 15.133 3.326 1.00 0.00 C ATOM 406 C LYS A 22 0.846 16.424 3.443 1.00 0.00 C ATOM 407 O LYS A 22 1.155 16.879 4.528 1.00 0.00 O ATOM 408 CB LYS A 22 -1.440 15.439 3.555 1.00 0.00 C ATOM 409 CG LYS A 22 -1.944 16.341 2.427 1.00 0.00 C ATOM 410 CD LYS A 22 -3.453 16.535 2.563 1.00 0.00 C ATOM 411 CE LYS A 22 -3.761 17.305 3.849 1.00 0.00 C ATOM 412 NZ LYS A 22 -4.818 18.320 3.579 1.00 0.00 N ATOM 0 H LYS A 22 -0.026 14.104 5.196 1.00 0.00 H new ATOM 0 HA LYS A 22 0.168 14.709 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.016 14.514 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.578 15.929 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.438 17.306 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.710 15.896 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.838 17.079 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.954 15.567 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.093 16.617 4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.859 17.793 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.028 18.844 4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.485 18.982 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.680 17.843 3.246 1.00 0.00 H new ATOM 426 N GLY A 23 1.194 17.015 2.337 1.00 0.00 N ATOM 427 CA GLY A 23 1.984 18.277 2.383 1.00 0.00 C ATOM 428 C GLY A 23 3.405 17.962 2.850 1.00 0.00 C ATOM 429 O GLY A 23 4.088 18.804 3.399 1.00 0.00 O ATOM 0 H GLY A 23 0.966 16.679 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.007 18.742 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.515 18.990 3.061 1.00 0.00 H new ATOM 433 N GLY A 24 3.850 16.751 2.642 1.00 0.00 N ATOM 434 CA GLY A 24 5.225 16.368 3.078 1.00 0.00 C ATOM 435 C GLY A 24 6.058 15.966 1.861 1.00 0.00 C ATOM 436 O GLY A 24 5.538 15.725 0.790 1.00 0.00 O ATOM 0 H GLY A 24 3.319 16.008 2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.699 17.202 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.175 15.541 3.786 1.00 0.00 H new ATOM 440 N PRO A 25 7.349 15.894 2.035 1.00 0.00 N ATOM 441 CA PRO A 25 8.296 15.512 0.951 1.00 0.00 C ATOM 442 C PRO A 25 8.242 14.016 0.645 1.00 0.00 C ATOM 443 O PRO A 25 7.607 13.254 1.345 1.00 0.00 O ATOM 444 CB PRO A 25 9.663 15.885 1.520 1.00 0.00 C ATOM 445 CG PRO A 25 9.501 15.781 2.997 1.00 0.00 C ATOM 446 CD PRO A 25 8.053 16.167 3.299 1.00 0.00 C ATOM 0 HA PRO A 25 8.062 16.012 0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.439 15.211 1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.953 16.893 1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.713 14.769 3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.196 16.445 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.644 15.578 4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.969 17.215 3.586 1.00 0.00 H new ATOM 454 N HIS A 26 8.910 13.589 -0.391 1.00 0.00 N ATOM 455 CA HIS A 26 8.902 12.143 -0.735 1.00 0.00 C ATOM 456 C HIS A 26 10.246 11.526 -0.342 1.00 0.00 C ATOM 457 O HIS A 26 11.293 12.090 -0.593 1.00 0.00 O ATOM 458 CB HIS A 26 8.695 11.978 -2.241 1.00 0.00 C ATOM 459 CG HIS A 26 7.376 12.576 -2.646 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.187 11.863 -2.575 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.043 13.812 -3.144 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.204 12.669 -3.023 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.674 13.864 -3.381 1.00 0.00 N ATOM 0 H HIS A 26 9.461 14.181 -1.013 1.00 0.00 H new ATOM 0 HA HIS A 26 8.094 11.645 -0.199 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.506 12.464 -2.784 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.722 10.921 -2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.738 14.619 -3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.165 12.382 -3.084 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.141 14.651 -3.751 1.00 0.00 H new ATOM 472 N LYS A 27 10.227 10.373 0.271 1.00 0.00 N ATOM 473 CA LYS A 27 11.508 9.724 0.676 1.00 0.00 C ATOM 474 C LYS A 27 11.806 8.569 -0.282 1.00 0.00 C ATOM 475 O LYS A 27 11.825 8.739 -1.485 1.00 0.00 O ATOM 476 CB LYS A 27 11.377 9.188 2.105 1.00 0.00 C ATOM 477 CG LYS A 27 12.758 8.818 2.659 1.00 0.00 C ATOM 478 CD LYS A 27 13.450 10.071 3.205 1.00 0.00 C ATOM 479 CE LYS A 27 14.744 9.669 3.918 1.00 0.00 C ATOM 480 NZ LYS A 27 15.769 10.733 3.725 1.00 0.00 N ATOM 0 H LYS A 27 9.382 9.853 0.509 1.00 0.00 H new ATOM 0 HA LYS A 27 12.320 10.450 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.911 9.940 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.726 8.313 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.656 8.074 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.366 8.368 1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.670 10.762 2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.788 10.593 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.555 9.520 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.110 8.721 3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.648 10.460 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.957 10.854 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.419 11.628 4.122 1.00 0.00 H new ATOM 494 N VAL A 28 12.033 7.393 0.237 1.00 0.00 N ATOM 495 CA VAL A 28 12.322 6.233 -0.651 1.00 0.00 C ATOM 496 C VAL A 28 11.111 5.977 -1.548 1.00 0.00 C ATOM 497 O VAL A 28 11.244 5.671 -2.717 1.00 0.00 O ATOM 498 CB VAL A 28 12.601 4.994 0.201 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.753 3.772 -0.706 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.895 5.204 0.993 1.00 0.00 C ATOM 0 H VAL A 28 12.031 7.186 1.236 1.00 0.00 H new ATOM 0 HA VAL A 28 13.195 6.449 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 28 11.772 4.833 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.952 2.890 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.834 3.623 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.582 3.932 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.096 4.322 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.722 5.365 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.788 6.075 1.640 1.00 0.00 H new ATOM 510 N GLY A 29 9.928 6.102 -1.007 1.00 0.00 N ATOM 511 CA GLY A 29 8.699 5.873 -1.818 1.00 0.00 C ATOM 512 C GLY A 29 7.779 7.090 -1.703 1.00 0.00 C ATOM 513 O GLY A 29 7.898 7.885 -0.791 1.00 0.00 O ATOM 0 H GLY A 29 9.761 6.354 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.965 5.702 -2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.182 4.979 -1.470 1.00 0.00 H new ATOM 517 N PRO A 30 6.870 7.231 -2.627 1.00 0.00 N ATOM 518 CA PRO A 30 5.902 8.368 -2.650 1.00 0.00 C ATOM 519 C PRO A 30 4.987 8.384 -1.421 1.00 0.00 C ATOM 520 O PRO A 30 4.661 7.355 -0.868 1.00 0.00 O ATOM 521 CB PRO A 30 5.079 8.130 -3.922 1.00 0.00 C ATOM 522 CG PRO A 30 5.274 6.692 -4.264 1.00 0.00 C ATOM 523 CD PRO A 30 6.663 6.316 -3.756 1.00 0.00 C ATOM 0 HA PRO A 30 6.417 9.329 -2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.025 8.353 -3.754 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.416 8.775 -4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.508 6.074 -3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.197 6.534 -5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.708 5.273 -3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.423 6.450 -4.526 1.00 0.00 H new ATOM 531 N ASN A 31 4.560 9.544 -0.995 1.00 0.00 N ATOM 532 CA ASN A 31 3.658 9.612 0.188 1.00 0.00 C ATOM 533 C ASN A 31 2.241 9.227 -0.243 1.00 0.00 C ATOM 534 O ASN A 31 1.694 9.787 -1.173 1.00 0.00 O ATOM 535 CB ASN A 31 3.644 11.042 0.741 1.00 0.00 C ATOM 536 CG ASN A 31 5.034 11.418 1.257 1.00 0.00 C ATOM 537 OD1 ASN A 31 6.018 10.570 1.135 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 5.228 12.498 1.778 1.00 0.00 N flip ATOM 0 H ASN A 31 4.797 10.443 -1.415 1.00 0.00 H new ATOM 0 HA ASN A 31 4.013 8.928 0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.336 11.739 -0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.914 11.122 1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.461 13.163 1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.158 12.740 2.119 1.00 0.00 H new ATOM 545 N LEU A 32 1.641 8.273 0.416 1.00 0.00 N ATOM 546 CA LEU A 32 0.261 7.857 0.029 1.00 0.00 C ATOM 547 C LEU A 32 -0.765 8.495 0.967 1.00 0.00 C ATOM 548 O LEU A 32 -0.633 8.455 2.174 1.00 0.00 O ATOM 549 CB LEU A 32 0.143 6.332 0.109 1.00 0.00 C ATOM 550 CG LEU A 32 0.849 5.697 -1.090 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.313 6.133 -1.115 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.774 4.173 -0.972 1.00 0.00 C ATOM 0 H LEU A 32 2.044 7.765 1.203 1.00 0.00 H new ATOM 0 HA LEU A 32 0.066 8.188 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.586 5.971 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.907 6.039 0.122 1.00 0.00 H new ATOM 0 HG LEU A 32 0.361 6.019 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.813 5.679 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.368 7.219 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.804 5.813 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.276 3.717 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.262 3.855 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.270 3.860 -0.956 1.00 0.00 H new ATOM 564 N HIS A 33 -1.794 9.073 0.414 1.00 0.00 N ATOM 565 CA HIS A 33 -2.847 9.707 1.256 1.00 0.00 C ATOM 566 C HIS A 33 -4.113 9.868 0.416 1.00 0.00 C ATOM 567 O HIS A 33 -4.212 10.752 -0.411 1.00 0.00 O ATOM 568 CB HIS A 33 -2.368 11.079 1.734 1.00 0.00 C ATOM 569 CG HIS A 33 -3.472 11.758 2.498 1.00 0.00 C ATOM 570 ND1 HIS A 33 -4.643 12.184 1.885 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.599 12.091 3.824 1.00 0.00 C ATOM 572 CE1 HIS A 33 -5.415 12.745 2.834 1.00 0.00 C ATOM 573 NE2 HIS A 33 -4.825 12.713 4.030 1.00 0.00 N ATOM 0 H HIS A 33 -1.952 9.134 -0.592 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.054 9.083 2.125 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.488 10.968 2.367 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.072 11.690 0.881 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.875 12.089 0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.861 11.899 4.589 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.391 13.169 2.650 1.00 0.00 H new ATOM 582 N GLY A 34 -5.075 9.010 0.608 1.00 0.00 N ATOM 583 CA GLY A 34 -6.325 9.107 -0.194 1.00 0.00 C ATOM 584 C GLY A 34 -6.114 8.376 -1.520 1.00 0.00 C ATOM 585 O GLY A 34 -6.905 8.483 -2.435 1.00 0.00 O ATOM 0 H GLY A 34 -5.050 8.247 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.159 8.667 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.578 10.152 -0.374 1.00 0.00 H new ATOM 589 N ILE A 35 -5.043 7.636 -1.627 1.00 0.00 N ATOM 590 CA ILE A 35 -4.763 6.894 -2.887 1.00 0.00 C ATOM 591 C ILE A 35 -5.935 5.963 -3.199 1.00 0.00 C ATOM 592 O ILE A 35 -6.132 5.556 -4.326 1.00 0.00 O ATOM 593 CB ILE A 35 -3.484 6.070 -2.725 1.00 0.00 C ATOM 594 CG1 ILE A 35 -3.001 5.599 -4.099 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.770 4.853 -1.843 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.572 5.067 -3.983 1.00 0.00 C ATOM 0 H ILE A 35 -4.347 7.514 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.633 7.603 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.714 6.685 -2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.661 4.820 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.037 6.424 -4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.859 4.265 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.114 5.186 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.541 4.239 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.228 4.732 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.917 5.859 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.551 4.230 -3.285 1.00 0.00 H new ATOM 608 N PHE A 36 -6.713 5.622 -2.210 1.00 0.00 N ATOM 609 CA PHE A 36 -7.867 4.721 -2.457 1.00 0.00 C ATOM 610 C PHE A 36 -8.839 5.411 -3.414 1.00 0.00 C ATOM 611 O PHE A 36 -9.138 6.581 -3.275 1.00 0.00 O ATOM 612 CB PHE A 36 -8.564 4.433 -1.130 1.00 0.00 C ATOM 613 CG PHE A 36 -7.641 3.641 -0.234 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.740 4.304 0.610 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.687 2.242 -0.244 1.00 0.00 C ATOM 616 CE1 PHE A 36 -5.890 3.568 1.443 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.835 1.506 0.588 1.00 0.00 C ATOM 618 CZ PHE A 36 -5.937 2.169 1.431 1.00 0.00 C ATOM 0 H PHE A 36 -6.598 5.929 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.527 3.784 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.845 5.368 -0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.484 3.876 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.702 5.383 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.381 1.730 -0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.198 4.079 2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.871 0.427 0.579 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.280 1.601 2.073 1.00 0.00 H new ATOM 628 N GLY A 37 -9.331 4.700 -4.391 1.00 0.00 N ATOM 629 CA GLY A 37 -10.275 5.319 -5.361 1.00 0.00 C ATOM 630 C GLY A 37 -9.504 6.264 -6.286 1.00 0.00 C ATOM 631 O GLY A 37 -10.069 7.152 -6.892 1.00 0.00 O ATOM 0 H GLY A 37 -9.119 3.716 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.773 4.545 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.053 5.867 -4.829 1.00 0.00 H new ATOM 635 N ARG A 38 -8.212 6.083 -6.391 1.00 0.00 N ATOM 636 CA ARG A 38 -7.399 6.974 -7.268 1.00 0.00 C ATOM 637 C ARG A 38 -6.449 6.137 -8.130 1.00 0.00 C ATOM 638 O ARG A 38 -6.187 4.984 -7.846 1.00 0.00 O ATOM 639 CB ARG A 38 -6.583 7.937 -6.404 1.00 0.00 C ATOM 640 CG ARG A 38 -7.531 8.854 -5.627 1.00 0.00 C ATOM 641 CD ARG A 38 -6.716 9.901 -4.865 1.00 0.00 C ATOM 642 NE ARG A 38 -7.611 10.647 -3.936 1.00 0.00 N ATOM 643 CZ ARG A 38 -7.293 11.851 -3.549 1.00 0.00 C ATOM 644 NH1 ARG A 38 -6.191 12.405 -3.977 1.00 0.00 N ATOM 645 NH2 ARG A 38 -8.077 12.505 -2.735 1.00 0.00 N ATOM 0 H ARG A 38 -7.686 5.356 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.068 7.539 -7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.953 7.377 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.918 8.531 -7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.223 9.344 -6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.132 8.268 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.915 9.418 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.245 10.591 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.473 10.216 -3.603 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.578 11.896 -4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.943 13.347 -3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.939 12.074 -2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.827 13.447 -2.433 1.00 0.00 H new ATOM 659 N HIS A 39 -5.932 6.713 -9.182 1.00 0.00 N ATOM 660 CA HIS A 39 -4.999 5.960 -10.068 1.00 0.00 C ATOM 661 C HIS A 39 -3.553 6.244 -9.650 1.00 0.00 C ATOM 662 O HIS A 39 -3.287 7.129 -8.862 1.00 0.00 O ATOM 663 CB HIS A 39 -5.205 6.402 -11.519 1.00 0.00 C ATOM 664 CG HIS A 39 -6.582 6.008 -11.974 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.684 6.837 -11.810 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.055 4.875 -12.593 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.754 6.198 -12.320 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.423 5.001 -12.809 1.00 0.00 N ATOM 0 H HIS A 39 -6.116 7.675 -9.466 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.199 4.892 -9.980 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.078 7.481 -11.603 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.453 5.942 -12.160 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.457 4.019 -12.869 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.755 6.603 -12.332 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.043 4.321 -13.249 1.00 0.00 H new ATOM 677 N SER A 40 -2.617 5.494 -10.168 1.00 0.00 N ATOM 678 CA SER A 40 -1.190 5.714 -9.796 1.00 0.00 C ATOM 679 C SER A 40 -0.591 6.827 -10.657 1.00 0.00 C ATOM 680 O SER A 40 -0.932 6.988 -11.812 1.00 0.00 O ATOM 681 CB SER A 40 -0.398 4.426 -10.021 1.00 0.00 C ATOM 682 OG SER A 40 0.910 4.579 -9.485 1.00 0.00 O ATOM 0 H SER A 40 -2.780 4.738 -10.833 1.00 0.00 H new ATOM 0 HA SER A 40 -1.138 6.001 -8.746 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.903 3.587 -9.543 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.343 4.201 -11.086 1.00 0.00 H new ATOM 0 HG SER A 40 1.553 4.684 -10.217 1.00 0.00 H new ATOM 688 N GLY A 41 0.309 7.594 -10.103 1.00 0.00 N ATOM 689 CA GLY A 41 0.944 8.692 -10.883 1.00 0.00 C ATOM 690 C GLY A 41 0.199 10.005 -10.635 1.00 0.00 C ATOM 691 O GLY A 41 0.617 11.057 -11.075 1.00 0.00 O ATOM 0 H GLY A 41 0.632 7.506 -9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.990 8.797 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.929 8.451 -11.946 1.00 0.00 H new ATOM 695 N GLN A 42 -0.901 9.954 -9.937 1.00 0.00 N ATOM 696 CA GLN A 42 -1.669 11.203 -9.668 1.00 0.00 C ATOM 697 C GLN A 42 -0.823 12.174 -8.839 1.00 0.00 C ATOM 698 O GLN A 42 -0.873 13.372 -9.032 1.00 0.00 O ATOM 699 CB GLN A 42 -2.949 10.864 -8.904 1.00 0.00 C ATOM 700 CG GLN A 42 -3.825 12.115 -8.804 1.00 0.00 C ATOM 701 CD GLN A 42 -5.137 11.765 -8.103 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.408 10.611 -7.838 1.00 0.00 O ATOM 703 NE2 GLN A 42 -5.971 12.718 -7.791 1.00 0.00 N ATOM 0 H GLN A 42 -1.301 9.103 -9.541 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.923 11.673 -10.618 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.490 10.067 -9.414 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.705 10.496 -7.907 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.302 12.895 -8.251 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.027 12.511 -9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.744 13.687 -8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.850 12.494 -7.325 1.00 0.00 H new ATOM 712 N ALA A 43 -0.054 11.672 -7.911 1.00 0.00 N ATOM 713 CA ALA A 43 0.780 12.580 -7.070 1.00 0.00 C ATOM 714 C ALA A 43 1.742 13.361 -7.965 1.00 0.00 C ATOM 715 O ALA A 43 1.923 14.552 -7.803 1.00 0.00 O ATOM 716 CB ALA A 43 1.580 11.752 -6.062 1.00 0.00 C ATOM 0 H ALA A 43 0.033 10.678 -7.699 1.00 0.00 H new ATOM 0 HA ALA A 43 0.133 13.276 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.189 12.415 -5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.895 11.194 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.227 11.056 -6.595 1.00 0.00 H new ATOM 722 N GLU A 44 2.354 12.701 -8.910 1.00 0.00 N ATOM 723 CA GLU A 44 3.308 13.387 -9.833 1.00 0.00 C ATOM 724 C GLU A 44 4.451 14.050 -9.048 1.00 0.00 C ATOM 725 O GLU A 44 5.504 14.322 -9.592 1.00 0.00 O ATOM 726 CB GLU A 44 2.559 14.451 -10.643 1.00 0.00 C ATOM 727 CG GLU A 44 1.455 13.785 -11.465 1.00 0.00 C ATOM 728 CD GLU A 44 0.762 14.834 -12.335 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.034 16.008 -12.144 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.030 14.446 -13.178 1.00 0.00 O ATOM 0 H GLU A 44 2.233 11.703 -9.085 1.00 0.00 H new ATOM 0 HA GLU A 44 3.737 12.642 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.129 15.196 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.251 14.975 -11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.877 12.999 -12.091 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.731 13.310 -10.803 1.00 0.00 H new ATOM 737 N GLY A 45 4.264 14.318 -7.782 1.00 0.00 N ATOM 738 CA GLY A 45 5.348 14.964 -6.989 1.00 0.00 C ATOM 739 C GLY A 45 6.594 14.074 -6.996 1.00 0.00 C ATOM 740 O GLY A 45 7.709 14.556 -6.983 1.00 0.00 O ATOM 0 H GLY A 45 3.408 14.117 -7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.585 15.942 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.013 15.129 -5.965 1.00 0.00 H new ATOM 744 N TYR A 46 6.410 12.781 -7.011 1.00 0.00 N ATOM 745 CA TYR A 46 7.578 11.855 -7.011 1.00 0.00 C ATOM 746 C TYR A 46 7.609 11.072 -8.323 1.00 0.00 C ATOM 747 O TYR A 46 6.589 10.658 -8.836 1.00 0.00 O ATOM 748 CB TYR A 46 7.449 10.880 -5.837 1.00 0.00 C ATOM 749 CG TYR A 46 8.687 10.020 -5.753 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.860 10.534 -5.186 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.662 8.703 -6.234 1.00 0.00 C ATOM 752 CE1 TYR A 46 11.007 9.735 -5.102 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.810 7.904 -6.148 1.00 0.00 C ATOM 754 CZ TYR A 46 10.982 8.420 -5.583 1.00 0.00 C ATOM 755 OH TYR A 46 12.113 7.634 -5.498 1.00 0.00 O ATOM 0 H TYR A 46 5.498 12.325 -7.023 1.00 0.00 H new ATOM 0 HA TYR A 46 8.499 12.429 -6.911 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.314 11.432 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.567 10.253 -5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.880 11.547 -4.813 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.758 8.305 -6.671 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.911 10.133 -4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.790 6.890 -6.518 1.00 0.00 H new ATOM 0 HH TYR A 46 11.926 6.749 -5.876 1.00 0.00 H new ATOM 765 N SER A 47 8.775 10.867 -8.873 1.00 0.00 N ATOM 766 CA SER A 47 8.871 10.113 -10.153 1.00 0.00 C ATOM 767 C SER A 47 8.432 8.665 -9.927 1.00 0.00 C ATOM 768 O SER A 47 8.557 8.132 -8.842 1.00 0.00 O ATOM 769 CB SER A 47 10.315 10.136 -10.651 1.00 0.00 C ATOM 770 OG SER A 47 10.383 9.516 -11.928 1.00 0.00 O ATOM 0 H SER A 47 9.664 11.189 -8.491 1.00 0.00 H new ATOM 0 HA SER A 47 8.223 10.577 -10.897 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.674 11.163 -10.714 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.963 9.615 -9.946 1.00 0.00 H new ATOM 0 HG SER A 47 11.308 9.531 -12.250 1.00 0.00 H new ATOM 776 N TYR A 48 7.921 8.028 -10.944 1.00 0.00 N ATOM 777 CA TYR A 48 7.469 6.614 -10.800 1.00 0.00 C ATOM 778 C TYR A 48 8.387 5.698 -11.610 1.00 0.00 C ATOM 779 O TYR A 48 8.910 6.077 -12.639 1.00 0.00 O ATOM 780 CB TYR A 48 6.033 6.481 -11.309 1.00 0.00 C ATOM 781 CG TYR A 48 5.085 7.116 -10.319 1.00 0.00 C ATOM 782 CD1 TYR A 48 5.020 8.510 -10.202 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.273 6.307 -9.517 1.00 0.00 C ATOM 784 CE1 TYR A 48 4.140 9.093 -9.281 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.394 6.889 -8.597 1.00 0.00 C ATOM 786 CZ TYR A 48 3.327 8.282 -8.479 1.00 0.00 C ATOM 787 OH TYR A 48 2.460 8.855 -7.571 1.00 0.00 O ATOM 0 H TYR A 48 7.796 8.428 -11.874 1.00 0.00 H new ATOM 0 HA TYR A 48 7.508 6.327 -9.749 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.935 6.962 -12.282 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.781 5.430 -11.447 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.647 9.135 -10.821 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.325 5.232 -9.608 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.088 10.168 -9.189 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.768 6.264 -7.978 1.00 0.00 H new ATOM 0 HH TYR A 48 1.970 8.151 -7.097 1.00 0.00 H new ATOM 797 N THR A 49 8.589 4.494 -11.148 1.00 0.00 N ATOM 798 CA THR A 49 9.476 3.551 -11.885 1.00 0.00 C ATOM 799 C THR A 49 8.740 3.010 -13.111 1.00 0.00 C ATOM 800 O THR A 49 7.534 3.113 -13.222 1.00 0.00 O ATOM 801 CB THR A 49 9.856 2.384 -10.969 1.00 0.00 C ATOM 802 OG1 THR A 49 8.736 1.524 -10.815 1.00 0.00 O ATOM 803 CG2 THR A 49 10.279 2.918 -9.600 1.00 0.00 C ATOM 0 H THR A 49 8.178 4.123 -10.292 1.00 0.00 H new ATOM 0 HA THR A 49 10.377 4.076 -12.201 1.00 0.00 H new ATOM 0 HB THR A 49 10.685 1.832 -11.412 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.590 1.345 -9.863 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.548 2.084 -8.952 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.138 3.579 -9.717 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.453 3.472 -9.154 1.00 0.00 H new ATOM 811 N ASP A 50 9.460 2.426 -14.030 1.00 0.00 N ATOM 812 CA ASP A 50 8.809 1.870 -15.249 1.00 0.00 C ATOM 813 C ASP A 50 7.712 0.888 -14.832 1.00 0.00 C ATOM 814 O ASP A 50 6.721 0.723 -15.513 1.00 0.00 O ATOM 815 CB ASP A 50 9.851 1.140 -16.094 1.00 0.00 C ATOM 816 CG ASP A 50 10.840 2.154 -16.673 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.562 3.338 -16.586 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.856 1.728 -17.195 1.00 0.00 O ATOM 0 H ASP A 50 10.473 2.310 -13.989 1.00 0.00 H new ATOM 0 HA ASP A 50 8.372 2.680 -15.833 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.380 0.407 -15.485 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.362 0.592 -16.900 1.00 0.00 H new ATOM 823 N ALA A 51 7.892 0.226 -13.726 1.00 0.00 N ATOM 824 CA ALA A 51 6.875 -0.759 -13.260 1.00 0.00 C ATOM 825 C ALA A 51 5.468 -0.144 -13.299 1.00 0.00 C ATOM 826 O ALA A 51 4.688 -0.419 -14.189 1.00 0.00 O ATOM 827 CB ALA A 51 7.218 -1.187 -11.830 1.00 0.00 C ATOM 0 H ALA A 51 8.706 0.324 -13.119 1.00 0.00 H new ATOM 0 HA ALA A 51 6.886 -1.626 -13.921 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.480 -1.908 -11.479 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.207 -1.644 -11.814 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.211 -0.314 -11.177 1.00 0.00 H new ATOM 833 N ASN A 52 5.127 0.670 -12.333 1.00 0.00 N ATOM 834 CA ASN A 52 3.762 1.277 -12.312 1.00 0.00 C ATOM 835 C ASN A 52 3.499 2.060 -13.603 1.00 0.00 C ATOM 836 O ASN A 52 2.420 2.002 -14.159 1.00 0.00 O ATOM 837 CB ASN A 52 3.642 2.220 -11.111 1.00 0.00 C ATOM 838 CG ASN A 52 2.202 2.728 -10.995 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.897 3.818 -11.434 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.296 1.985 -10.413 1.00 0.00 N ATOM 0 H ASN A 52 5.734 0.940 -11.559 1.00 0.00 H new ATOM 0 HA ASN A 52 3.025 0.478 -12.232 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.929 1.699 -10.197 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.326 3.061 -11.227 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.337 2.322 -10.329 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.549 1.069 -10.043 1.00 0.00 H new ATOM 847 N ILE A 53 4.462 2.797 -14.086 1.00 0.00 N ATOM 848 CA ILE A 53 4.243 3.578 -15.332 1.00 0.00 C ATOM 849 C ILE A 53 3.900 2.631 -16.485 1.00 0.00 C ATOM 850 O ILE A 53 2.990 2.877 -17.253 1.00 0.00 O ATOM 851 CB ILE A 53 5.518 4.348 -15.668 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.857 5.299 -14.518 1.00 0.00 C ATOM 853 CG2 ILE A 53 5.297 5.151 -16.944 1.00 0.00 C ATOM 854 CD1 ILE A 53 7.211 5.961 -14.779 1.00 0.00 C ATOM 0 H ILE A 53 5.389 2.891 -13.671 1.00 0.00 H new ATOM 0 HA ILE A 53 3.417 4.274 -15.185 1.00 0.00 H new ATOM 0 HB ILE A 53 6.341 3.649 -15.814 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.082 6.059 -14.422 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.885 4.751 -13.576 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.205 5.703 -17.188 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.053 4.474 -17.762 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.475 5.852 -16.795 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.449 6.638 -13.958 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.982 5.195 -14.853 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.167 6.523 -15.712 1.00 0.00 H new ATOM 866 N LYS A 54 4.616 1.549 -16.611 1.00 0.00 N ATOM 867 CA LYS A 54 4.329 0.587 -17.711 1.00 0.00 C ATOM 868 C LYS A 54 2.894 0.083 -17.578 1.00 0.00 C ATOM 869 O LYS A 54 2.199 -0.113 -18.556 1.00 0.00 O ATOM 870 CB LYS A 54 5.296 -0.597 -17.619 1.00 0.00 C ATOM 871 CG LYS A 54 5.089 -1.520 -18.823 1.00 0.00 C ATOM 872 CD LYS A 54 6.009 -2.735 -18.696 1.00 0.00 C ATOM 873 CE LYS A 54 5.920 -3.577 -19.970 1.00 0.00 C ATOM 874 NZ LYS A 54 6.834 -3.012 -21.003 1.00 0.00 N ATOM 0 H LYS A 54 5.389 1.289 -15.998 1.00 0.00 H new ATOM 0 HA LYS A 54 4.455 1.084 -18.673 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.325 -0.239 -17.595 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.128 -1.147 -16.693 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.049 -1.842 -18.874 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.303 -0.983 -19.747 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.037 -2.411 -18.533 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.722 -3.333 -17.831 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.191 -4.611 -19.755 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.895 -3.587 -20.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.774 -3.584 -21.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.556 -2.033 -21.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.811 -3.025 -20.647 1.00 0.00 H new ATOM 888 N LYS A 55 2.444 -0.123 -16.371 1.00 0.00 N ATOM 889 CA LYS A 55 1.053 -0.611 -16.160 1.00 0.00 C ATOM 890 C LYS A 55 0.377 0.244 -15.088 1.00 0.00 C ATOM 891 O LYS A 55 0.840 0.327 -13.967 1.00 0.00 O ATOM 892 CB LYS A 55 1.093 -2.070 -15.700 1.00 0.00 C ATOM 893 CG LYS A 55 -0.332 -2.589 -15.494 1.00 0.00 C ATOM 894 CD LYS A 55 -0.282 -4.039 -15.012 1.00 0.00 C ATOM 895 CE LYS A 55 -1.700 -4.614 -14.968 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.704 -5.868 -14.164 1.00 0.00 N ATOM 0 H LYS A 55 2.983 0.027 -15.518 1.00 0.00 H new ATOM 0 HA LYS A 55 0.492 -0.539 -17.092 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.608 -2.680 -16.442 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.658 -2.153 -14.771 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.854 -1.970 -14.764 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.893 -2.524 -16.427 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.342 -4.633 -15.679 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.172 -4.089 -14.022 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.385 -3.887 -14.531 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.053 -4.817 -15.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.668 -6.258 -14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.063 -6.561 -14.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.384 -5.661 -13.196 1.00 0.00 H new ATOM 910 N ASN A 56 -0.716 0.876 -15.419 1.00 0.00 N ATOM 911 CA ASN A 56 -1.417 1.717 -14.411 1.00 0.00 C ATOM 912 C ASN A 56 -2.609 0.940 -13.858 1.00 0.00 C ATOM 913 O ASN A 56 -3.335 0.296 -14.587 1.00 0.00 O ATOM 914 CB ASN A 56 -1.903 3.016 -15.052 1.00 0.00 C ATOM 915 CG ASN A 56 -2.424 3.945 -13.956 1.00 0.00 C ATOM 916 OD1 ASN A 56 -3.594 4.272 -13.923 1.00 0.00 O ATOM 917 ND2 ASN A 56 -1.598 4.376 -13.042 1.00 0.00 N ATOM 0 H ASN A 56 -1.152 0.846 -16.341 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.727 1.963 -13.604 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.089 3.495 -15.597 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.691 2.807 -15.775 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.934 4.988 -12.299 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.616 4.101 -13.071 1.00 0.00 H new ATOM 924 N VAL A 57 -2.803 0.985 -12.570 1.00 0.00 N ATOM 925 CA VAL A 57 -3.933 0.238 -11.957 1.00 0.00 C ATOM 926 C VAL A 57 -4.718 1.153 -11.018 1.00 0.00 C ATOM 927 O VAL A 57 -4.168 2.038 -10.390 1.00 0.00 O ATOM 928 CB VAL A 57 -3.374 -0.940 -11.162 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.456 -0.412 -10.059 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.527 -1.725 -10.534 1.00 0.00 C ATOM 0 H VAL A 57 -2.225 1.510 -11.914 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.598 -0.120 -12.742 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.810 -1.595 -11.826 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.054 -1.249 -9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.636 0.149 -10.506 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.023 0.241 -9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.128 -2.566 -9.967 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.091 -1.072 -9.868 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.185 -2.097 -11.320 1.00 0.00 H new ATOM 940 N LEU A 58 -6.001 0.942 -10.909 1.00 0.00 N ATOM 941 CA LEU A 58 -6.823 1.791 -10.003 1.00 0.00 C ATOM 942 C LEU A 58 -6.608 1.332 -8.563 1.00 0.00 C ATOM 943 O LEU A 58 -6.633 0.154 -8.266 1.00 0.00 O ATOM 944 CB LEU A 58 -8.304 1.649 -10.368 1.00 0.00 C ATOM 945 CG LEU A 58 -9.158 2.484 -9.407 1.00 0.00 C ATOM 946 CD1 LEU A 58 -8.826 3.966 -9.580 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.638 2.257 -9.717 1.00 0.00 C ATOM 0 H LEU A 58 -6.516 0.217 -11.409 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.526 2.835 -10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.468 1.978 -11.394 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.602 0.602 -10.317 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.947 2.183 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.434 4.557 -8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.771 4.130 -9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.036 4.268 -10.606 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.248 2.850 -9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.845 2.558 -10.744 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.878 1.201 -9.593 1.00 0.00 H new ATOM 959 N TRP A 59 -6.393 2.253 -7.667 1.00 0.00 N ATOM 960 CA TRP A 59 -6.174 1.864 -6.253 1.00 0.00 C ATOM 961 C TRP A 59 -7.496 1.913 -5.491 1.00 0.00 C ATOM 962 O TRP A 59 -8.204 2.899 -5.508 1.00 0.00 O ATOM 963 CB TRP A 59 -5.165 2.822 -5.622 1.00 0.00 C ATOM 964 CG TRP A 59 -3.813 2.506 -6.168 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.133 3.262 -7.056 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.978 1.351 -5.885 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.930 2.637 -7.340 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.789 1.457 -6.642 1.00 0.00 C ATOM 969 CE3 TRP A 59 -3.137 0.232 -5.054 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.792 0.483 -6.578 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -2.138 -0.747 -4.983 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.968 -0.624 -5.745 1.00 0.00 C ATOM 0 H TRP A 59 -6.360 3.255 -7.855 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.784 0.847 -6.207 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.432 3.855 -5.844 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.170 2.718 -4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.471 4.198 -7.475 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.233 3.005 -7.987 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.036 0.125 -4.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.107 0.584 -7.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.270 -1.602 -4.337 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.203 -1.385 -5.688 1.00 0.00 H new ATOM 983 N ASP A 60 -7.823 0.844 -4.824 1.00 0.00 N ATOM 984 CA ASP A 60 -9.090 0.784 -4.046 1.00 0.00 C ATOM 985 C ASP A 60 -8.876 -0.130 -2.838 1.00 0.00 C ATOM 986 O ASP A 60 -7.886 -0.828 -2.750 1.00 0.00 O ATOM 987 CB ASP A 60 -10.208 0.221 -4.926 1.00 0.00 C ATOM 988 CG ASP A 60 -11.551 0.386 -4.213 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.570 1.006 -3.162 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.539 -0.109 -4.730 1.00 0.00 O ATOM 0 H ASP A 60 -7.257 -0.004 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.372 1.783 -3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.227 0.740 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.023 -0.832 -5.137 1.00 0.00 H new ATOM 995 N GLU A 61 -9.782 -0.130 -1.902 1.00 0.00 N ATOM 996 CA GLU A 61 -9.604 -0.997 -0.705 1.00 0.00 C ATOM 997 C GLU A 61 -9.469 -2.457 -1.149 1.00 0.00 C ATOM 998 O GLU A 61 -8.676 -3.208 -0.610 1.00 0.00 O ATOM 999 CB GLU A 61 -10.823 -0.854 0.208 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.947 0.599 0.673 1.00 0.00 C ATOM 1001 CD GLU A 61 -9.707 0.993 1.475 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -9.024 0.102 1.950 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -9.461 2.181 1.600 1.00 0.00 O ATOM 0 H GLU A 61 -10.634 0.430 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.706 -0.696 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.726 -1.155 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.725 -1.515 1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.059 1.258 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.841 0.720 1.285 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.227 -2.867 -2.129 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.133 -4.275 -2.601 1.00 0.00 C ATOM 1012 C ASN A 62 -8.903 -4.433 -3.500 1.00 0.00 C ATOM 1013 O ASN A 62 -8.113 -5.340 -3.333 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.396 -4.630 -3.385 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.182 -4.325 -4.868 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -10.931 -3.196 -5.239 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -11.268 -5.294 -5.736 1.00 0.00 N ATOM 0 H ASN A 62 -10.906 -2.287 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.038 -4.943 -1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.635 -5.685 -3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.244 -4.061 -3.005 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.124 -5.104 -6.728 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.479 -6.242 -5.423 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.735 -3.555 -4.450 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.555 -3.655 -5.355 1.00 0.00 C ATOM 1026 C ASN A 63 -6.270 -3.562 -4.533 1.00 0.00 C ATOM 1027 O ASN A 63 -5.302 -4.246 -4.795 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.592 -2.512 -6.371 1.00 0.00 C ATOM 1029 CG ASN A 63 -6.526 -2.750 -7.441 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.489 -1.960 -7.495 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 -6.636 -3.664 -8.233 1.00 0.00 N flip ATOM 0 H ASN A 63 -9.363 -2.774 -4.639 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.582 -4.610 -5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.578 -2.452 -6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.415 -1.560 -5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.447 -4.281 -8.190 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.917 -3.815 -8.941 1.00 0.00 H new ATOM 1038 N MET A 64 -6.254 -2.715 -3.544 1.00 0.00 N ATOM 1039 CA MET A 64 -5.033 -2.568 -2.707 1.00 0.00 C ATOM 1040 C MET A 64 -4.704 -3.906 -2.042 1.00 0.00 C ATOM 1041 O MET A 64 -3.557 -4.284 -1.923 1.00 0.00 O ATOM 1042 CB MET A 64 -5.276 -1.503 -1.633 1.00 0.00 C ATOM 1043 CG MET A 64 -3.963 -1.193 -0.912 1.00 0.00 C ATOM 1044 SD MET A 64 -2.968 -0.066 -1.923 1.00 0.00 S ATOM 1045 CE MET A 64 -4.006 1.407 -1.730 1.00 0.00 C ATOM 0 H MET A 64 -7.036 -2.116 -3.278 1.00 0.00 H new ATOM 0 HA MET A 64 -4.196 -2.263 -3.335 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.675 -0.597 -2.089 1.00 0.00 H new ATOM 0 HB3 MET A 64 -6.020 -1.855 -0.919 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.167 -0.743 0.059 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.412 -2.115 -0.726 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.182 1.859 -2.706 1.00 0.00 H new ATOM 0 HE2 MET A 64 -4.960 1.124 -1.284 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.502 2.125 -1.083 1.00 0.00 H new ATOM 1055 N SER A 65 -5.702 -4.628 -1.607 1.00 0.00 N ATOM 1056 CA SER A 65 -5.435 -5.939 -0.950 1.00 0.00 C ATOM 1057 C SER A 65 -4.738 -6.881 -1.936 1.00 0.00 C ATOM 1058 O SER A 65 -3.913 -7.689 -1.557 1.00 0.00 O ATOM 1059 CB SER A 65 -6.759 -6.562 -0.504 1.00 0.00 C ATOM 1060 OG SER A 65 -7.516 -6.926 -1.650 1.00 0.00 O ATOM 0 H SER A 65 -6.686 -4.368 -1.678 1.00 0.00 H new ATOM 0 HA SER A 65 -4.791 -5.783 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.571 -7.439 0.116 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.320 -5.854 0.107 1.00 0.00 H new ATOM 0 HG SER A 65 -7.454 -6.216 -2.322 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.060 -6.784 -3.197 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.416 -7.675 -4.202 1.00 0.00 C ATOM 1068 C GLU A 66 -2.925 -7.343 -4.313 1.00 0.00 C ATOM 1069 O GLU A 66 -2.097 -8.211 -4.505 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.087 -7.464 -5.559 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.545 -7.918 -5.485 1.00 0.00 C ATOM 1072 CD GLU A 66 -7.199 -7.769 -6.861 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.572 -7.186 -7.730 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -8.313 -8.241 -7.020 1.00 0.00 O ATOM 0 H GLU A 66 -5.742 -6.126 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.527 -8.714 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.037 -6.412 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.559 -8.027 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.597 -8.956 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.085 -7.323 -4.748 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.577 -6.091 -4.199 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.144 -5.694 -4.303 1.00 0.00 C ATOM 1083 C HIS A 67 -0.334 -6.409 -3.219 1.00 0.00 C ATOM 1084 O HIS A 67 0.739 -6.921 -3.465 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.044 -4.180 -4.115 1.00 0.00 C ATOM 1086 CG HIS A 67 0.362 -3.712 -4.379 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.948 -3.817 -5.629 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.302 -3.116 -3.574 1.00 0.00 C ATOM 1089 CE1 HIS A 67 2.186 -3.297 -5.546 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.449 -2.857 -4.316 1.00 0.00 N ATOM 0 H HIS A 67 -3.227 -5.322 -4.037 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.747 -5.972 -5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.735 -3.676 -4.791 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.339 -3.913 -3.100 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.518 -4.217 -6.463 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.171 -2.885 -2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.879 -3.243 -6.372 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.849 -6.450 -2.026 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.127 -7.131 -0.916 1.00 0.00 C ATOM 1101 C LEU A 68 -0.080 -8.640 -1.170 1.00 0.00 C ATOM 1102 O LEU A 68 0.804 -9.327 -0.699 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.857 -6.857 0.399 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.539 -5.439 0.885 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.668 -4.448 -0.271 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -1.517 -5.046 1.995 1.00 0.00 C ATOM 0 H LEU A 68 -1.746 -6.038 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 68 0.892 -6.749 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.932 -6.971 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.555 -7.585 1.152 1.00 0.00 H new ATOM 0 HG LEU A 68 0.482 -5.417 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.440 -3.443 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.030 -4.720 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.686 -4.473 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.290 -4.037 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.536 -5.077 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.422 -5.744 2.827 1.00 0.00 H new ATOM 1118 N THR A 69 -1.033 -9.166 -1.887 1.00 0.00 N ATOM 1119 CA THR A 69 -1.039 -10.636 -2.144 1.00 0.00 C ATOM 1120 C THR A 69 -0.084 -10.981 -3.292 1.00 0.00 C ATOM 1121 O THR A 69 -0.158 -10.418 -4.366 1.00 0.00 O ATOM 1122 CB THR A 69 -2.455 -11.080 -2.517 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.372 -10.605 -1.542 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.513 -12.607 -2.573 1.00 0.00 C ATOM 0 H THR A 69 -1.805 -8.646 -2.305 1.00 0.00 H new ATOM 0 HA THR A 69 -0.711 -11.152 -1.242 1.00 0.00 H new ATOM 0 HB THR A 69 -2.719 -10.672 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.512 -9.643 -1.666 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.522 -12.923 -2.839 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.810 -12.971 -3.322 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.249 -13.017 -1.598 1.00 0.00 H new ATOM 1132 N ASN A 70 0.794 -11.924 -3.066 1.00 0.00 N ATOM 1133 CA ASN A 70 1.759 -12.356 -4.123 1.00 0.00 C ATOM 1134 C ASN A 70 2.148 -11.187 -5.033 1.00 0.00 C ATOM 1135 O ASN A 70 1.939 -11.236 -6.230 1.00 0.00 O ATOM 1136 CB ASN A 70 1.115 -13.457 -4.967 1.00 0.00 C ATOM 1137 CG ASN A 70 2.206 -14.359 -5.550 1.00 0.00 C ATOM 1138 OD1 ASN A 70 3.330 -13.934 -5.728 1.00 0.00 O ATOM 1139 ND2 ASN A 70 1.920 -15.594 -5.854 1.00 0.00 N ATOM 0 H ASN A 70 0.885 -12.421 -2.180 1.00 0.00 H new ATOM 0 HA ASN A 70 2.661 -12.725 -3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.431 -14.045 -4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.525 -13.016 -5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.640 -16.204 -6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.976 -15.951 -5.704 1.00 0.00 H new ATOM 1146 N PRO A 71 2.720 -10.150 -4.484 1.00 0.00 N ATOM 1147 CA PRO A 71 3.153 -8.965 -5.278 1.00 0.00 C ATOM 1148 C PRO A 71 4.218 -9.337 -6.317 1.00 0.00 C ATOM 1149 O PRO A 71 5.149 -10.064 -6.030 1.00 0.00 O ATOM 1150 CB PRO A 71 3.734 -8.001 -4.237 1.00 0.00 C ATOM 1151 CG PRO A 71 4.007 -8.829 -3.024 1.00 0.00 C ATOM 1152 CD PRO A 71 3.015 -9.989 -3.055 1.00 0.00 C ATOM 0 HA PRO A 71 2.326 -8.533 -5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.647 -7.533 -4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.032 -7.198 -4.013 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.033 -9.197 -3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.884 -8.238 -2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.445 -10.896 -2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.115 -9.763 -2.482 1.00 0.00 H new ATOM 1160 N ALA A 72 4.090 -8.848 -7.522 1.00 0.00 N ATOM 1161 CA ALA A 72 5.092 -9.179 -8.574 1.00 0.00 C ATOM 1162 C ALA A 72 4.500 -8.875 -9.954 1.00 0.00 C ATOM 1163 O ALA A 72 4.674 -7.801 -10.492 1.00 0.00 O ATOM 1164 CB ALA A 72 5.444 -10.663 -8.490 1.00 0.00 C ATOM 0 H ALA A 72 3.334 -8.233 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 72 5.991 -8.581 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.177 -10.907 -9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.862 -10.883 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.545 -11.260 -8.644 1.00 0.00 H new ATOM 1170 N LYS A 73 3.799 -9.816 -10.526 1.00 0.00 N ATOM 1171 CA LYS A 73 3.192 -9.583 -11.868 1.00 0.00 C ATOM 1172 C LYS A 73 2.298 -8.345 -11.802 1.00 0.00 C ATOM 1173 O LYS A 73 2.109 -7.646 -12.778 1.00 0.00 O ATOM 1174 CB LYS A 73 2.354 -10.799 -12.268 1.00 0.00 C ATOM 1175 CG LYS A 73 3.265 -12.018 -12.422 1.00 0.00 C ATOM 1176 CD LYS A 73 2.447 -13.207 -12.930 1.00 0.00 C ATOM 1177 CE LYS A 73 3.327 -14.458 -12.961 1.00 0.00 C ATOM 1178 NZ LYS A 73 2.760 -15.488 -12.048 1.00 0.00 N ATOM 0 H LYS A 73 3.620 -10.736 -10.122 1.00 0.00 H new ATOM 0 HA LYS A 73 3.979 -9.430 -12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.593 -10.994 -11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.831 -10.602 -13.204 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.073 -11.795 -13.118 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.727 -12.263 -11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.585 -13.372 -12.283 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.061 -12.997 -13.927 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.385 -14.850 -13.977 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.344 -14.208 -12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.359 -16.338 -12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.727 -15.112 -11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.798 -15.734 -12.357 1.00 0.00 H new ATOM 1192 N TYR A 74 1.746 -8.072 -10.653 1.00 0.00 N ATOM 1193 CA TYR A 74 0.863 -6.882 -10.508 1.00 0.00 C ATOM 1194 C TYR A 74 1.614 -5.628 -10.967 1.00 0.00 C ATOM 1195 O TYR A 74 1.139 -4.880 -11.798 1.00 0.00 O ATOM 1196 CB TYR A 74 0.478 -6.756 -9.032 1.00 0.00 C ATOM 1197 CG TYR A 74 -0.398 -5.547 -8.811 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -1.777 -5.618 -9.036 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.174 -4.358 -8.352 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -2.581 -4.496 -8.801 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.626 -3.238 -8.122 1.00 0.00 C ATOM 1202 CZ TYR A 74 -2.003 -3.305 -8.344 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.787 -2.197 -8.103 1.00 0.00 O ATOM 0 H TYR A 74 1.869 -8.625 -9.805 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.033 -6.991 -11.119 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.047 -7.655 -8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.378 -6.676 -8.422 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.221 -6.537 -9.390 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.238 -4.305 -8.175 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.646 -4.549 -8.972 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.180 -2.319 -7.772 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.691 -2.483 -7.857 1.00 0.00 H new ATOM 1213 N ILE A 75 2.795 -5.402 -10.449 1.00 0.00 N ATOM 1214 CA ILE A 75 3.588 -4.208 -10.870 1.00 0.00 C ATOM 1215 C ILE A 75 5.081 -4.523 -10.705 1.00 0.00 C ATOM 1216 O ILE A 75 5.732 -4.035 -9.804 1.00 0.00 O ATOM 1217 CB ILE A 75 3.206 -2.993 -9.998 1.00 0.00 C ATOM 1218 CG1 ILE A 75 1.860 -2.405 -10.458 1.00 0.00 C ATOM 1219 CG2 ILE A 75 4.282 -1.907 -10.092 1.00 0.00 C ATOM 1220 CD1 ILE A 75 1.928 -1.964 -11.927 1.00 0.00 C ATOM 0 H ILE A 75 3.245 -5.995 -9.751 1.00 0.00 H new ATOM 0 HA ILE A 75 3.376 -3.971 -11.912 1.00 0.00 H new ATOM 0 HB ILE A 75 3.122 -3.332 -8.966 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.072 -3.148 -10.333 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.597 -1.554 -9.830 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.997 -1.058 -9.471 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.234 -2.307 -9.744 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.382 -1.582 -11.128 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.965 -1.552 -12.228 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.700 -1.204 -12.043 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.167 -2.823 -12.554 1.00 0.00 H new ATOM 1232 N PRO A 76 5.612 -5.342 -11.572 1.00 0.00 N ATOM 1233 CA PRO A 76 7.045 -5.740 -11.535 1.00 0.00 C ATOM 1234 C PRO A 76 7.958 -4.686 -12.166 1.00 0.00 C ATOM 1235 O PRO A 76 7.563 -3.968 -13.063 1.00 0.00 O ATOM 1236 CB PRO A 76 7.072 -7.030 -12.354 1.00 0.00 C ATOM 1237 CG PRO A 76 5.940 -6.912 -13.320 1.00 0.00 C ATOM 1238 CD PRO A 76 4.898 -5.981 -12.689 1.00 0.00 C ATOM 0 HA PRO A 76 7.411 -5.857 -10.515 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.022 -7.144 -12.875 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.952 -7.904 -11.714 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.287 -6.511 -14.272 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.507 -7.891 -13.526 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.538 -5.243 -13.406 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.028 -6.536 -12.339 1.00 0.00 H new ATOM 1246 N GLY A 77 9.181 -4.592 -11.712 1.00 0.00 N ATOM 1247 CA GLY A 77 10.118 -3.591 -12.290 1.00 0.00 C ATOM 1248 C GLY A 77 10.336 -2.439 -11.302 1.00 0.00 C ATOM 1249 O GLY A 77 10.840 -1.394 -11.662 1.00 0.00 O ATOM 0 H GLY A 77 9.569 -5.168 -10.965 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.071 -4.066 -12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.717 -3.205 -13.227 1.00 0.00 H new ATOM 1253 N THR A 78 9.967 -2.625 -10.060 1.00 0.00 N ATOM 1254 CA THR A 78 10.162 -1.541 -9.049 1.00 0.00 C ATOM 1255 C THR A 78 10.986 -2.081 -7.876 1.00 0.00 C ATOM 1256 O THR A 78 11.050 -3.271 -7.643 1.00 0.00 O ATOM 1257 CB THR A 78 8.801 -1.049 -8.543 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.985 0.125 -7.766 1.00 0.00 O ATOM 1259 CG2 THR A 78 8.137 -2.131 -7.691 1.00 0.00 C ATOM 0 H THR A 78 9.540 -3.479 -9.702 1.00 0.00 H new ATOM 0 HA THR A 78 10.691 -0.708 -9.511 1.00 0.00 H new ATOM 0 HB THR A 78 8.159 -0.827 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.116 0.443 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.171 -1.773 -7.336 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.993 -3.029 -8.291 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.774 -2.364 -6.837 1.00 0.00 H new ATOM 1267 N LYS A 79 11.634 -1.210 -7.151 1.00 0.00 N ATOM 1268 CA LYS A 79 12.475 -1.658 -6.005 1.00 0.00 C ATOM 1269 C LYS A 79 11.627 -1.838 -4.740 1.00 0.00 C ATOM 1270 O LYS A 79 12.147 -2.104 -3.675 1.00 0.00 O ATOM 1271 CB LYS A 79 13.565 -0.615 -5.749 1.00 0.00 C ATOM 1272 CG LYS A 79 12.923 0.710 -5.331 1.00 0.00 C ATOM 1273 CD LYS A 79 14.004 1.793 -5.244 1.00 0.00 C ATOM 1274 CE LYS A 79 13.405 3.079 -4.670 1.00 0.00 C ATOM 1275 NZ LYS A 79 14.324 3.633 -3.636 1.00 0.00 N ATOM 0 H LYS A 79 11.617 -0.202 -7.304 1.00 0.00 H new ATOM 0 HA LYS A 79 12.925 -2.619 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.241 -0.965 -4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.164 -0.472 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.159 1.000 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.426 0.598 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.825 1.451 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.420 1.985 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.252 3.809 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.428 2.875 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.962 4.550 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.382 2.974 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.271 3.763 -4.047 1.00 0.00 H new ATOM 1289 N MET A 80 10.333 -1.697 -4.835 1.00 0.00 N ATOM 1290 CA MET A 80 9.487 -1.866 -3.617 1.00 0.00 C ATOM 1291 C MET A 80 9.756 -3.236 -2.990 1.00 0.00 C ATOM 1292 O MET A 80 9.831 -3.367 -1.784 1.00 0.00 O ATOM 1293 CB MET A 80 8.007 -1.765 -3.994 1.00 0.00 C ATOM 1294 CG MET A 80 7.154 -2.004 -2.748 1.00 0.00 C ATOM 1295 SD MET A 80 5.586 -1.112 -2.902 1.00 0.00 S ATOM 1296 CE MET A 80 4.508 -2.474 -2.396 1.00 0.00 C ATOM 0 H MET A 80 9.828 -1.475 -5.693 1.00 0.00 H new ATOM 0 HA MET A 80 9.733 -1.081 -2.902 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.792 -0.782 -4.413 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.764 -2.499 -4.762 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.966 -3.070 -2.623 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.689 -1.668 -1.859 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.492 -2.103 -2.263 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.514 -3.248 -3.164 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.868 -2.893 -1.456 1.00 0.00 H new ATOM 1306 N ALA A 81 9.908 -4.250 -3.803 1.00 0.00 N ATOM 1307 CA ALA A 81 10.179 -5.623 -3.276 1.00 0.00 C ATOM 1308 C ALA A 81 9.463 -5.838 -1.940 1.00 0.00 C ATOM 1309 O ALA A 81 10.073 -5.834 -0.889 1.00 0.00 O ATOM 1310 CB ALA A 81 11.680 -5.802 -3.072 1.00 0.00 C ATOM 0 H ALA A 81 9.855 -4.185 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 81 9.809 -6.352 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.878 -6.803 -2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.195 -5.670 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.041 -5.061 -2.358 1.00 0.00 H new ATOM 1316 N PHE A 82 8.177 -6.031 -1.976 1.00 0.00 N ATOM 1317 CA PHE A 82 7.413 -6.255 -0.713 1.00 0.00 C ATOM 1318 C PHE A 82 7.019 -7.728 -0.609 1.00 0.00 C ATOM 1319 O PHE A 82 6.503 -8.309 -1.542 1.00 0.00 O ATOM 1320 CB PHE A 82 6.153 -5.387 -0.717 1.00 0.00 C ATOM 1321 CG PHE A 82 5.406 -5.562 0.586 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.792 -4.834 1.719 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.326 -6.449 0.662 1.00 0.00 C ATOM 1324 CE1 PHE A 82 5.098 -4.994 2.925 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.633 -6.610 1.866 1.00 0.00 C ATOM 1326 CZ PHE A 82 4.018 -5.883 2.999 1.00 0.00 C ATOM 0 H PHE A 82 7.616 -6.044 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 82 8.036 -5.986 0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.422 -4.340 -0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.512 -5.664 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.625 -4.149 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.027 -7.010 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.396 -4.432 3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.800 -7.296 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.483 -6.007 3.929 1.00 0.00 H new ATOM 1336 N GLY A 83 7.258 -8.339 0.518 1.00 0.00 N ATOM 1337 CA GLY A 83 6.893 -9.775 0.676 1.00 0.00 C ATOM 1338 C GLY A 83 5.372 -9.909 0.756 1.00 0.00 C ATOM 1339 O GLY A 83 4.700 -9.110 1.378 1.00 0.00 O ATOM 0 H GLY A 83 7.689 -7.907 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.276 -10.353 -0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.352 -10.181 1.577 1.00 0.00 H new ATOM 1343 N GLY A 84 4.821 -10.915 0.134 1.00 0.00 N ATOM 1344 CA GLY A 84 3.343 -11.095 0.178 1.00 0.00 C ATOM 1345 C GLY A 84 2.936 -11.630 1.552 1.00 0.00 C ATOM 1346 O GLY A 84 3.690 -12.320 2.208 1.00 0.00 O ATOM 0 H GLY A 84 5.329 -11.619 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.844 -10.146 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.027 -11.787 -0.602 1.00 0.00 H new ATOM 1350 N LEU A 85 1.748 -11.317 1.993 1.00 0.00 N ATOM 1351 CA LEU A 85 1.297 -11.810 3.324 1.00 0.00 C ATOM 1352 C LEU A 85 0.468 -13.082 3.134 1.00 0.00 C ATOM 1353 O LEU A 85 -0.397 -13.149 2.283 1.00 0.00 O ATOM 1354 CB LEU A 85 0.446 -10.733 3.999 1.00 0.00 C ATOM 1355 CG LEU A 85 1.230 -9.419 4.035 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.425 -8.359 4.791 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.566 -9.644 4.746 1.00 0.00 C ATOM 0 H LEU A 85 1.072 -10.742 1.490 1.00 0.00 H new ATOM 0 HA LEU A 85 2.161 -12.031 3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.489 -10.598 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.184 -11.041 5.011 1.00 0.00 H new ATOM 0 HG LEU A 85 1.410 -9.078 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.986 -7.425 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.528 -8.198 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.243 -8.699 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.126 -8.709 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.383 -9.987 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.142 -10.397 4.208 1.00 0.00 H new ATOM 1369 N LYS A 86 0.729 -14.096 3.913 1.00 0.00 N ATOM 1370 CA LYS A 86 -0.041 -15.363 3.765 1.00 0.00 C ATOM 1371 C LYS A 86 -1.316 -15.310 4.612 1.00 0.00 C ATOM 1372 O LYS A 86 -2.198 -16.134 4.465 1.00 0.00 O ATOM 1373 CB LYS A 86 0.828 -16.540 4.216 1.00 0.00 C ATOM 1374 CG LYS A 86 1.058 -16.464 5.728 1.00 0.00 C ATOM 1375 CD LYS A 86 2.050 -17.549 6.148 1.00 0.00 C ATOM 1376 CE LYS A 86 2.045 -17.685 7.672 1.00 0.00 C ATOM 1377 NZ LYS A 86 1.449 -18.998 8.052 1.00 0.00 N ATOM 0 H LYS A 86 1.440 -14.102 4.644 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.319 -15.491 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.343 -17.482 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.784 -16.521 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.442 -15.481 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.114 -16.595 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.782 -18.500 5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.051 -17.296 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.062 -17.610 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.474 -16.871 8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.445 -19.091 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.473 -19.052 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.012 -19.768 7.637 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.425 -14.354 5.496 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.649 -14.267 6.343 1.00 0.00 C ATOM 1393 C LYS A 87 -3.577 -13.179 5.803 1.00 0.00 C ATOM 1394 O LYS A 87 -3.186 -12.043 5.624 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.264 -13.935 7.783 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.466 -15.096 8.376 1.00 0.00 C ATOM 1397 CD LYS A 87 -1.260 -14.853 9.868 1.00 0.00 C ATOM 1398 CE LYS A 87 -0.361 -15.948 10.447 1.00 0.00 C ATOM 1399 NZ LYS A 87 -1.018 -16.551 11.641 1.00 0.00 N ATOM 0 H LYS A 87 -0.723 -13.634 5.667 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.163 -15.228 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.672 -13.020 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.159 -13.753 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.996 -16.035 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.503 -15.185 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.808 -13.874 10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.221 -14.848 10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.174 -16.715 9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.607 -15.530 10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.407 -17.295 12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.175 -15.816 12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.931 -16.964 11.363 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.808 -13.523 5.548 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.773 -12.518 5.025 1.00 0.00 C ATOM 1415 C GLU A 88 -6.209 -11.577 6.152 1.00 0.00 C ATOM 1416 O GLU A 88 -6.419 -10.398 5.943 1.00 0.00 O ATOM 1417 CB GLU A 88 -7.002 -13.238 4.462 1.00 0.00 C ATOM 1418 CG GLU A 88 -6.590 -14.077 3.251 1.00 0.00 C ATOM 1419 CD GLU A 88 -7.828 -14.743 2.647 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -8.878 -14.669 3.264 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -7.705 -15.316 1.578 1.00 0.00 O ATOM 0 H GLU A 88 -5.188 -14.460 5.680 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.293 -11.937 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.445 -13.876 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.762 -12.512 4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.104 -13.446 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.865 -14.835 3.550 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.361 -12.091 7.344 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.799 -11.228 8.477 1.00 0.00 C ATOM 1430 C LYS A 89 -5.791 -10.099 8.699 1.00 0.00 C ATOM 1431 O LYS A 89 -6.158 -8.955 8.876 1.00 0.00 O ATOM 1432 CB LYS A 89 -6.898 -12.074 9.748 1.00 0.00 C ATOM 1433 CG LYS A 89 -7.980 -13.142 9.566 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.165 -13.909 10.877 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.155 -15.056 10.662 1.00 0.00 C ATOM 1436 NZ LYS A 89 -9.553 -15.622 11.981 1.00 0.00 N ATOM 0 H LYS A 89 -6.201 -13.070 7.581 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.772 -10.796 8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.938 -12.545 9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.137 -11.440 10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.920 -12.676 9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.698 -13.828 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.207 -14.301 11.220 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.532 -13.239 11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.035 -14.696 10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.702 -15.831 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.226 -16.402 11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.710 -15.980 12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.002 -14.880 12.556 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.524 -10.407 8.691 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.502 -9.347 8.901 1.00 0.00 C ATOM 1452 C ASP A 90 -3.580 -8.327 7.765 1.00 0.00 C ATOM 1453 O ASP A 90 -3.440 -7.139 7.971 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.112 -9.986 8.922 1.00 0.00 C ATOM 1455 CG ASP A 90 -1.975 -10.866 10.165 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -2.834 -10.781 11.028 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.010 -11.610 10.235 1.00 0.00 O ATOM 0 H ASP A 90 -4.153 -11.346 8.548 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.688 -8.843 9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.961 -10.583 8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.344 -9.212 8.924 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.794 -8.789 6.564 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.874 -7.853 5.407 1.00 0.00 C ATOM 1464 C ARG A 91 -5.002 -6.843 5.629 1.00 0.00 C ATOM 1465 O ARG A 91 -4.858 -5.669 5.350 1.00 0.00 O ATOM 1466 CB ARG A 91 -4.155 -8.654 4.134 1.00 0.00 C ATOM 1467 CG ARG A 91 -4.100 -7.726 2.920 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.510 -8.506 1.670 1.00 0.00 C ATOM 1469 NE ARG A 91 -3.606 -9.679 1.503 1.00 0.00 N ATOM 1470 CZ ARG A 91 -4.038 -10.763 0.914 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -5.258 -10.815 0.452 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -3.247 -11.792 0.783 1.00 0.00 N ATOM 0 H ARG A 91 -3.917 -9.775 6.334 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.930 -7.318 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.422 -9.454 4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.135 -9.127 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.766 -6.876 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.094 -7.325 2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.544 -8.839 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.456 -7.863 0.792 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.648 -9.636 1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.875 -10.009 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.594 -11.662 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.292 -11.750 1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.583 -12.638 0.324 1.00 0.00 H new ATOM 1486 N ASN A 92 -6.126 -7.285 6.124 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.256 -6.347 6.351 1.00 0.00 C ATOM 1488 C ASN A 92 -6.847 -5.261 7.347 1.00 0.00 C ATOM 1489 O ASN A 92 -7.179 -4.104 7.186 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.453 -7.120 6.906 1.00 0.00 C ATOM 1491 CG ASN A 92 -9.001 -8.060 5.830 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.635 -7.960 4.677 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.877 -8.970 6.162 1.00 0.00 N ATOM 0 H ASN A 92 -6.308 -8.255 6.380 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.525 -5.878 5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.154 -7.692 7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.230 -6.426 7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.254 -9.598 5.452 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.184 -9.053 7.131 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.133 -5.618 8.382 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.718 -4.600 9.377 1.00 0.00 C ATOM 1502 C ASP A 93 -4.779 -3.589 8.717 1.00 0.00 C ATOM 1503 O ASP A 93 -4.870 -2.401 8.953 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.002 -5.294 10.533 1.00 0.00 C ATOM 1505 CG ASP A 93 -5.982 -6.214 11.260 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.173 -6.075 11.039 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.525 -7.044 12.031 1.00 0.00 O ATOM 0 H ASP A 93 -5.822 -6.570 8.577 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.596 -4.075 9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.156 -5.870 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.601 -4.553 11.224 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.873 -4.046 7.892 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.935 -3.100 7.229 1.00 0.00 C ATOM 1514 C LEU A 94 -3.733 -2.086 6.408 1.00 0.00 C ATOM 1515 O LEU A 94 -3.459 -0.903 6.431 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.982 -3.877 6.315 1.00 0.00 C ATOM 1517 CG LEU A 94 -1.009 -2.906 5.641 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.247 -2.121 6.707 1.00 0.00 C ATOM 1519 CD2 LEU A 94 -0.010 -3.694 4.791 1.00 0.00 C ATOM 0 H LEU A 94 -3.744 -5.029 7.651 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.353 -2.573 7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.430 -4.617 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.549 -4.421 5.560 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.569 -2.217 5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.445 -1.430 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.953 -1.559 7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.311 -2.812 7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.683 -3.004 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.546 -4.382 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.547 -4.258 4.028 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.729 -2.535 5.695 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.548 -1.587 4.891 1.00 0.00 C ATOM 1533 C ILE A 95 -6.303 -0.659 5.843 1.00 0.00 C ATOM 1534 O ILE A 95 -6.497 0.508 5.571 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.545 -2.370 4.039 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.784 -3.315 3.106 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.384 -1.399 3.209 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.781 -4.197 2.351 1.00 0.00 C ATOM 0 H ILE A 95 -5.010 -3.514 5.635 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.903 -1.000 4.237 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.201 -2.949 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.183 -2.741 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.096 -3.935 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.095 -1.960 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.926 -0.726 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.730 -0.818 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.240 -4.870 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.363 -4.781 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.451 -3.569 1.764 1.00 0.00 H new ATOM 1550 N THR A 96 -6.731 -1.181 6.959 1.00 0.00 N ATOM 1551 CA THR A 96 -7.477 -0.354 7.945 1.00 0.00 C ATOM 1552 C THR A 96 -6.628 0.851 8.361 1.00 0.00 C ATOM 1553 O THR A 96 -7.125 1.951 8.505 1.00 0.00 O ATOM 1554 CB THR A 96 -7.783 -1.202 9.182 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.310 -2.457 8.775 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.809 -0.481 10.056 1.00 0.00 C ATOM 0 H THR A 96 -6.594 -2.154 7.231 1.00 0.00 H new ATOM 0 HA THR A 96 -8.405 -0.004 7.493 1.00 0.00 H new ATOM 0 HB THR A 96 -6.866 -1.357 9.751 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.611 -2.974 8.323 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.026 -1.086 10.936 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.408 0.483 10.368 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.726 -0.326 9.488 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.353 0.652 8.570 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.483 1.787 8.991 1.00 0.00 C ATOM 1566 C TYR A 97 -4.441 2.859 7.897 1.00 0.00 C ATOM 1567 O TYR A 97 -4.709 4.017 8.146 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.069 1.266 9.263 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.213 2.384 9.807 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.303 2.741 11.158 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.326 3.060 8.962 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.507 3.777 11.663 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.531 4.097 9.466 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.621 4.454 10.817 1.00 0.00 C ATOM 1575 OH TYR A 97 0.163 5.475 11.313 1.00 0.00 O ATOM 0 H TYR A 97 -4.879 -0.245 8.467 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.890 2.233 9.899 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.105 0.442 9.976 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.632 0.874 8.345 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.986 2.218 11.811 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.254 2.782 7.921 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.577 4.053 12.705 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.151 4.621 8.813 1.00 0.00 H new ATOM 0 HH TYR A 97 0.722 5.837 10.594 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.122 2.490 6.682 1.00 0.00 N ATOM 1586 CA LEU A 98 -4.087 3.504 5.590 1.00 0.00 C ATOM 1587 C LEU A 98 -5.513 3.947 5.279 1.00 0.00 C ATOM 1588 O LEU A 98 -5.784 5.108 5.044 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.457 2.893 4.336 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.998 2.535 4.611 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.394 1.881 3.369 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.220 3.812 4.938 1.00 0.00 C ATOM 0 H LEU A 98 -3.886 1.538 6.402 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.493 4.361 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.009 2.002 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.518 3.598 3.507 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.942 1.844 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.352 1.625 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.951 0.976 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.447 2.575 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.177 3.562 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.275 4.498 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.653 4.286 5.819 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.428 3.021 5.282 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.844 3.367 4.995 1.00 0.00 C ATOM 1606 C LYS A 99 -8.331 4.399 6.016 1.00 0.00 C ATOM 1607 O LYS A 99 -9.036 5.331 5.683 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.694 2.099 5.103 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.141 2.410 4.731 1.00 0.00 C ATOM 1610 CD LYS A 99 -10.994 1.152 4.898 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.416 1.428 4.405 1.00 0.00 C ATOM 1612 NZ LYS A 99 -13.294 0.275 4.751 1.00 0.00 N ATOM 0 H LYS A 99 -6.254 2.034 5.472 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.930 3.785 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.297 1.328 4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.647 1.705 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.526 3.210 5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.195 2.764 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.557 0.327 4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.013 0.850 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.800 2.341 4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.414 1.587 3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.261 0.462 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.931 -0.587 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.304 0.144 5.783 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.954 4.242 7.255 1.00 0.00 N ATOM 1627 CA LYS A 100 -8.388 5.212 8.298 1.00 0.00 C ATOM 1628 C LYS A 100 -7.877 6.608 7.942 1.00 0.00 C ATOM 1629 O LYS A 100 -8.563 7.596 8.110 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.803 4.791 9.643 1.00 0.00 C ATOM 1631 CG LYS A 100 -8.320 5.719 10.741 1.00 0.00 C ATOM 1632 CD LYS A 100 -7.634 5.362 12.059 1.00 0.00 C ATOM 1633 CE LYS A 100 -8.295 6.131 13.204 1.00 0.00 C ATOM 1634 NZ LYS A 100 -7.241 6.763 14.049 1.00 0.00 N ATOM 0 H LYS A 100 -7.363 3.482 7.590 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.476 5.227 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.080 3.760 9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.714 4.828 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.118 6.758 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.401 5.619 10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.705 4.289 12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.573 5.607 12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.964 6.894 12.806 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.904 5.456 13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.688 7.287 14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.620 6.025 14.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.678 7.418 13.470 1.00 0.00 H new ATOM 1648 N ALA A 101 -6.672 6.692 7.456 1.00 0.00 N ATOM 1649 CA ALA A 101 -6.100 8.019 7.091 1.00 0.00 C ATOM 1650 C ALA A 101 -6.976 8.682 6.024 1.00 0.00 C ATOM 1651 O ALA A 101 -7.068 9.891 5.950 1.00 0.00 O ATOM 1652 CB ALA A 101 -4.684 7.831 6.542 1.00 0.00 C ATOM 0 H ALA A 101 -6.055 5.896 7.295 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.067 8.653 7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.265 8.801 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.058 7.363 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.718 7.195 5.658 1.00 0.00 H new