USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 753 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 42 CYS SG : rot -64:sc= -1.7! USER MOD Set 1.2: A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0775 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= -0.0264 (180deg=-0.348) USER MOD Single : A 15 TYR OH : rot 127:sc= 0.268 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -0.0218 (180deg=-0.162) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.1) USER MOD Single : A 25 TYR OH : rot -140:sc= -0.548 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -82:sc= 0.441 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-2.4) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.042) USER MOD Single : A 48 ASN :FLIP amide:sc= -2.12! C(o=-3.1!,f=-2.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.233 USER MOD Single : A 62 SER OG : rot -117:sc= 0.168 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -0.0675 F(o=-1.2,f=-0.067) USER MOD Single : A 66 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-3.6) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.77) 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 88 SER OG : rot 52:sc= 0.0722 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.207 3.084 19.545 1.00 0.00 N ATOM 2 CA GLY A 1 32.205 1.649 19.334 1.00 0.00 C ATOM 3 C GLY A 1 31.289 1.230 18.201 1.00 0.00 C ATOM 4 O GLY A 1 30.843 2.064 17.414 1.00 0.00 O ATOM 0 H1 GLY A 1 33.188 3.423 19.615 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.735 3.553 18.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.700 3.306 20.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.220 1.315 19.119 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.894 1.150 20.252 1.00 0.00 H new ATOM 8 N SER A 2 31.009 -0.067 18.118 1.00 0.00 N ATOM 9 CA SER A 2 30.145 -0.596 17.069 1.00 0.00 C ATOM 10 C SER A 2 28.783 -0.988 17.634 1.00 0.00 C ATOM 11 O SER A 2 28.236 -2.037 17.293 1.00 0.00 O ATOM 12 CB SER A 2 30.800 -1.806 16.401 1.00 0.00 C ATOM 13 OG SER A 2 31.991 -1.435 15.728 1.00 0.00 O ATOM 0 H SER A 2 31.368 -0.770 18.764 1.00 0.00 H new ATOM 0 HA SER A 2 29.999 0.186 16.324 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.024 -2.563 17.152 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.104 -2.256 15.693 1.00 0.00 H new ATOM 0 HG SER A 2 32.391 -2.226 15.311 1.00 0.00 H new ATOM 19 N SER A 3 28.241 -0.137 18.500 1.00 0.00 N ATOM 20 CA SER A 3 26.945 -0.395 19.116 1.00 0.00 C ATOM 21 C SER A 3 25.921 0.651 18.686 1.00 0.00 C ATOM 22 O SER A 3 26.280 1.730 18.215 1.00 0.00 O ATOM 23 CB SER A 3 27.074 -0.404 20.640 1.00 0.00 C ATOM 24 OG SER A 3 25.941 -1.003 21.244 1.00 0.00 O ATOM 0 H SER A 3 28.680 0.737 18.791 1.00 0.00 H new ATOM 0 HA SER A 3 26.600 -1.374 18.782 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.974 -0.947 20.929 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.187 0.617 21.005 1.00 0.00 H new ATOM 0 HG SER A 3 26.049 -0.998 22.218 1.00 0.00 H new ATOM 30 N GLY A 4 24.644 0.324 18.853 1.00 0.00 N ATOM 31 CA GLY A 4 23.587 1.245 18.478 1.00 0.00 C ATOM 32 C GLY A 4 22.205 0.656 18.682 1.00 0.00 C ATOM 33 O GLY A 4 21.617 0.099 17.755 1.00 0.00 O ATOM 0 H GLY A 4 24.322 -0.562 19.241 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.680 2.158 19.066 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.708 1.526 17.432 1.00 0.00 H new ATOM 37 N SER A 5 21.685 0.777 19.899 1.00 0.00 N ATOM 38 CA SER A 5 20.366 0.247 20.223 1.00 0.00 C ATOM 39 C SER A 5 19.338 1.370 20.320 1.00 0.00 C ATOM 40 O SER A 5 19.056 1.876 21.406 1.00 0.00 O ATOM 41 CB SER A 5 20.415 -0.530 21.540 1.00 0.00 C ATOM 42 OG SER A 5 19.109 -0.827 22.006 1.00 0.00 O ATOM 0 H SER A 5 22.157 1.238 20.677 1.00 0.00 H new ATOM 0 HA SER A 5 20.066 -0.428 19.422 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.974 -1.455 21.399 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.948 0.053 22.290 1.00 0.00 H new ATOM 0 HG SER A 5 19.167 -1.325 22.848 1.00 0.00 H new ATOM 48 N SER A 6 18.782 1.755 19.176 1.00 0.00 N ATOM 49 CA SER A 6 17.788 2.821 19.130 1.00 0.00 C ATOM 50 C SER A 6 16.758 2.556 18.036 1.00 0.00 C ATOM 51 O SER A 6 16.834 1.555 17.325 1.00 0.00 O ATOM 52 CB SER A 6 18.468 4.171 18.890 1.00 0.00 C ATOM 53 OG SER A 6 19.093 4.208 17.619 1.00 0.00 O ATOM 0 H SER A 6 19.003 1.345 18.269 1.00 0.00 H new ATOM 0 HA SER A 6 17.274 2.847 20.091 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.731 4.971 18.960 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.209 4.352 19.669 1.00 0.00 H new ATOM 0 HG SER A 6 19.519 5.081 17.489 1.00 0.00 H new ATOM 59 N GLY A 7 15.793 3.462 17.908 1.00 0.00 N ATOM 60 CA GLY A 7 14.761 3.309 16.900 1.00 0.00 C ATOM 61 C GLY A 7 13.714 4.403 16.971 1.00 0.00 C ATOM 62 O GLY A 7 12.768 4.317 17.755 1.00 0.00 O ATOM 0 H GLY A 7 15.708 4.299 18.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.220 3.313 15.911 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.278 2.340 17.023 1.00 0.00 H new ATOM 66 N TYR A 8 13.883 5.436 16.153 1.00 0.00 N ATOM 67 CA TYR A 8 12.947 6.554 16.130 1.00 0.00 C ATOM 68 C TYR A 8 12.101 6.530 14.861 1.00 0.00 C ATOM 69 O TYR A 8 11.428 7.507 14.530 1.00 0.00 O ATOM 70 CB TYR A 8 13.702 7.881 16.228 1.00 0.00 C ATOM 71 CG TYR A 8 14.887 7.973 15.293 1.00 0.00 C ATOM 72 CD1 TYR A 8 14.706 8.057 13.918 1.00 0.00 C ATOM 73 CD2 TYR A 8 16.186 7.977 15.784 1.00 0.00 C ATOM 74 CE1 TYR A 8 15.785 8.141 13.059 1.00 0.00 C ATOM 75 CE2 TYR A 8 17.271 8.062 14.933 1.00 0.00 C ATOM 76 CZ TYR A 8 17.066 8.144 13.572 1.00 0.00 C ATOM 77 OH TYR A 8 18.144 8.228 12.721 1.00 0.00 O ATOM 0 H TYR A 8 14.659 5.522 15.497 1.00 0.00 H new ATOM 0 HA TYR A 8 12.283 6.457 16.989 1.00 0.00 H new ATOM 0 HB2 TYR A 8 13.014 8.698 16.011 1.00 0.00 H new ATOM 0 HB3 TYR A 8 14.047 8.019 17.253 1.00 0.00 H new ATOM 0 HD1 TYR A 8 13.705 8.057 13.514 1.00 0.00 H new ATOM 0 HD2 TYR A 8 16.351 7.913 16.849 1.00 0.00 H new ATOM 0 HE1 TYR A 8 15.627 8.204 11.993 1.00 0.00 H new ATOM 0 HE2 TYR A 8 18.275 8.064 15.332 1.00 0.00 H new ATOM 0 HH TYR A 8 18.974 8.219 13.242 1.00 0.00 H new ATOM 87 N LEU A 9 12.139 5.406 14.154 1.00 0.00 N ATOM 88 CA LEU A 9 11.375 5.251 12.921 1.00 0.00 C ATOM 89 C LEU A 9 9.909 4.956 13.221 1.00 0.00 C ATOM 90 O LEU A 9 9.571 3.887 13.729 1.00 0.00 O ATOM 91 CB LEU A 9 11.969 4.129 12.067 1.00 0.00 C ATOM 92 CG LEU A 9 13.255 4.468 11.313 1.00 0.00 C ATOM 93 CD1 LEU A 9 14.467 4.274 12.212 1.00 0.00 C ATOM 94 CD2 LEU A 9 13.378 3.616 10.058 1.00 0.00 C ATOM 0 H LEU A 9 12.691 4.588 14.413 1.00 0.00 H new ATOM 0 HA LEU A 9 11.431 6.189 12.368 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.165 3.273 12.713 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.218 3.815 11.342 1.00 0.00 H new ATOM 0 HG LEU A 9 13.213 5.515 11.014 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.373 4.520 11.659 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.384 4.927 13.081 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.513 3.236 12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.299 3.871 9.534 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.398 2.562 10.334 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.525 3.804 9.405 1.00 0.00 H new ATOM 106 N LYS A 10 9.042 5.911 12.902 1.00 0.00 N ATOM 107 CA LYS A 10 7.611 5.753 13.133 1.00 0.00 C ATOM 108 C LYS A 10 7.077 4.514 12.422 1.00 0.00 C ATOM 109 O LYS A 10 7.543 4.159 11.338 1.00 0.00 O ATOM 110 CB LYS A 10 6.856 6.995 12.653 1.00 0.00 C ATOM 111 CG LYS A 10 5.502 7.178 13.317 1.00 0.00 C ATOM 112 CD LYS A 10 4.398 6.487 12.534 1.00 0.00 C ATOM 113 CE LYS A 10 3.022 6.851 13.071 1.00 0.00 C ATOM 114 NZ LYS A 10 2.718 8.296 12.882 1.00 0.00 N ATOM 0 H LYS A 10 9.305 6.803 12.483 1.00 0.00 H new ATOM 0 HA LYS A 10 7.453 5.630 14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.467 7.877 12.843 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.716 6.931 11.574 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.536 6.778 14.330 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.278 8.241 13.402 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.465 6.768 11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.536 5.407 12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.265 6.251 12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.969 6.604 14.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.693 8.449 12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.214 8.853 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.034 8.597 11.938 1.00 0.00 H new ATOM 128 N LEU A 11 6.098 3.860 13.036 1.00 0.00 N ATOM 129 CA LEU A 11 5.499 2.661 12.460 1.00 0.00 C ATOM 130 C LEU A 11 4.253 3.008 11.652 1.00 0.00 C ATOM 131 O LEU A 11 3.287 3.554 12.184 1.00 0.00 O ATOM 132 CB LEU A 11 5.143 1.664 13.564 1.00 0.00 C ATOM 133 CG LEU A 11 6.305 0.846 14.130 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.086 0.181 13.007 1.00 0.00 C ATOM 135 CD2 LEU A 11 7.218 1.726 14.969 1.00 0.00 C ATOM 0 H LEU A 11 5.702 4.140 13.933 1.00 0.00 H new ATOM 0 HA LEU A 11 6.229 2.207 11.790 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.677 2.211 14.383 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.394 0.974 13.175 1.00 0.00 H new ATOM 0 HG LEU A 11 5.896 0.066 14.772 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.909 -0.397 13.428 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.426 -0.482 12.448 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.484 0.945 12.339 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.039 1.127 15.363 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.619 2.529 14.350 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.651 2.154 15.796 1.00 0.00 H new ATOM 147 N VAL A 12 4.282 2.686 10.362 1.00 0.00 N ATOM 148 CA VAL A 12 3.153 2.961 9.481 1.00 0.00 C ATOM 149 C VAL A 12 2.482 1.669 9.028 1.00 0.00 C ATOM 150 O VAL A 12 2.915 1.038 8.064 1.00 0.00 O ATOM 151 CB VAL A 12 3.593 3.760 8.239 1.00 0.00 C ATOM 152 CG1 VAL A 12 2.401 4.043 7.337 1.00 0.00 C ATOM 153 CG2 VAL A 12 4.277 5.054 8.654 1.00 0.00 C ATOM 0 H VAL A 12 5.074 2.235 9.905 1.00 0.00 H new ATOM 0 HA VAL A 12 2.441 3.555 10.054 1.00 0.00 H new ATOM 0 HB VAL A 12 4.309 3.161 7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.731 4.608 6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.958 3.101 7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.659 4.623 7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.581 5.606 7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.585 5.660 9.238 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.156 4.824 9.257 1.00 0.00 H new ATOM 163 N ARG A 13 1.422 1.282 9.730 1.00 0.00 N ATOM 164 CA ARG A 13 0.691 0.065 9.401 1.00 0.00 C ATOM 165 C ARG A 13 -0.300 0.315 8.268 1.00 0.00 C ATOM 166 O ARG A 13 -0.961 1.352 8.227 1.00 0.00 O ATOM 167 CB ARG A 13 -0.049 -0.460 10.633 1.00 0.00 C ATOM 168 CG ARG A 13 0.869 -0.807 11.793 1.00 0.00 C ATOM 169 CD ARG A 13 0.145 -0.708 13.127 1.00 0.00 C ATOM 170 NE ARG A 13 1.040 -0.306 14.208 1.00 0.00 N ATOM 171 CZ ARG A 13 0.700 -0.330 15.492 1.00 0.00 C ATOM 172 NH1 ARG A 13 -0.511 -0.734 15.852 1.00 0.00 N ATOM 173 NH2 ARG A 13 1.571 0.050 16.418 1.00 0.00 N ATOM 0 H ARG A 13 1.051 1.794 10.530 1.00 0.00 H new ATOM 0 HA ARG A 13 1.412 -0.684 9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.768 0.290 10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.619 -1.346 10.354 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.256 -1.818 11.662 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.727 -0.135 11.793 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.670 0.012 13.045 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.304 -1.672 13.368 1.00 0.00 H new ATOM 0 HE ARG A 13 1.978 0.011 13.964 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.183 -1.027 15.143 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.770 -0.752 16.838 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.503 0.361 16.144 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.308 0.031 17.403 1.00 0.00 H new ATOM 187 N ILE A 14 -0.395 -0.642 7.351 1.00 0.00 N ATOM 188 CA ILE A 14 -1.305 -0.525 6.218 1.00 0.00 C ATOM 189 C ILE A 14 -2.227 -1.736 6.126 1.00 0.00 C ATOM 190 O ILE A 14 -1.779 -2.879 6.220 1.00 0.00 O ATOM 191 CB ILE A 14 -0.536 -0.378 4.891 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.454 0.786 4.977 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.506 -0.172 3.737 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.211 2.132 5.163 1.00 0.00 C ATOM 0 H ILE A 14 0.146 -1.506 7.370 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.902 0.372 6.384 1.00 0.00 H new ATOM 0 HB ILE A 14 0.025 -1.295 4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.138 0.610 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.055 0.809 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.948 -0.070 2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.175 -1.030 3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.091 0.731 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.551 2.910 5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.874 2.330 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.789 2.127 6.087 1.00 0.00 H new ATOM 206 N TYR A 15 -3.517 -1.477 5.941 1.00 0.00 N ATOM 207 CA TYR A 15 -4.503 -2.546 5.837 1.00 0.00 C ATOM 208 C TYR A 15 -4.869 -2.810 4.380 1.00 0.00 C ATOM 209 O TYR A 15 -5.575 -2.021 3.751 1.00 0.00 O ATOM 210 CB TYR A 15 -5.760 -2.188 6.633 1.00 0.00 C ATOM 211 CG TYR A 15 -5.484 -1.857 8.083 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.132 -2.851 8.987 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.577 -0.551 8.548 1.00 0.00 C ATOM 214 CE1 TYR A 15 -4.880 -2.554 10.313 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.326 -0.245 9.871 1.00 0.00 C ATOM 216 CZ TYR A 15 -4.978 -1.250 10.750 1.00 0.00 C ATOM 217 OH TYR A 15 -4.728 -0.948 12.069 1.00 0.00 O ATOM 0 H TYR A 15 -3.904 -0.537 5.860 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.063 -3.453 6.252 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.248 -1.336 6.161 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.460 -3.022 6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.054 -3.873 8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.850 0.238 7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.608 -3.339 11.003 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.402 0.776 10.216 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.057 -0.236 12.120 1.00 0.00 H new ATOM 227 N THR A 16 -4.384 -3.927 3.848 1.00 0.00 N ATOM 228 CA THR A 16 -4.658 -4.297 2.465 1.00 0.00 C ATOM 229 C THR A 16 -6.125 -4.665 2.274 1.00 0.00 C ATOM 230 O THR A 16 -6.728 -5.317 3.127 1.00 0.00 O ATOM 231 CB THR A 16 -3.781 -5.481 2.016 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.876 -5.651 0.597 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.205 -6.764 2.715 1.00 0.00 C ATOM 0 H THR A 16 -3.799 -4.592 4.354 1.00 0.00 H new ATOM 0 HA THR A 16 -4.422 -3.427 1.853 1.00 0.00 H new ATOM 0 HB THR A 16 -2.748 -5.263 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.314 -6.405 0.319 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.572 -7.586 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.104 -6.641 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.244 -6.985 2.471 1.00 0.00 H new ATOM 241 N LYS A 17 -6.694 -4.243 1.150 1.00 0.00 N ATOM 242 CA LYS A 17 -8.091 -4.530 0.846 1.00 0.00 C ATOM 243 C LYS A 17 -8.204 -5.571 -0.263 1.00 0.00 C ATOM 244 O LYS A 17 -7.759 -5.361 -1.392 1.00 0.00 O ATOM 245 CB LYS A 17 -8.818 -3.248 0.432 1.00 0.00 C ATOM 246 CG LYS A 17 -10.331 -3.372 0.456 1.00 0.00 C ATOM 247 CD LYS A 17 -11.004 -2.013 0.354 1.00 0.00 C ATOM 248 CE LYS A 17 -12.514 -2.127 0.488 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.099 -3.011 -0.559 1.00 0.00 N ATOM 0 H LYS A 17 -6.209 -3.701 0.435 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.557 -4.931 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.518 -2.439 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.501 -2.969 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.658 -4.004 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.642 -3.865 1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.617 -1.355 1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.756 -1.554 -0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.762 -2.519 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.961 -1.135 0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.135 -2.918 -0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.732 -2.734 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.839 -3.999 -0.364 1.00 0.00 H new ATOM 263 N PRO A 18 -8.814 -6.720 0.063 1.00 0.00 N ATOM 264 CA PRO A 18 -9.001 -7.816 -0.893 1.00 0.00 C ATOM 265 C PRO A 18 -10.015 -7.471 -1.979 1.00 0.00 C ATOM 266 O PRO A 18 -11.058 -6.878 -1.703 1.00 0.00 O ATOM 267 CB PRO A 18 -9.520 -8.962 -0.022 1.00 0.00 C ATOM 268 CG PRO A 18 -10.162 -8.292 1.143 1.00 0.00 C ATOM 269 CD PRO A 18 -9.369 -7.038 1.389 1.00 0.00 C ATOM 0 HA PRO A 18 -8.081 -8.052 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.234 -9.580 -0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.708 -9.617 0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.206 -8.059 0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.151 -8.939 2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.999 -6.232 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.582 -7.198 2.126 1.00 0.00 H new ATOM 277 N LYS A 19 -9.703 -7.847 -3.214 1.00 0.00 N ATOM 278 CA LYS A 19 -10.588 -7.580 -4.342 1.00 0.00 C ATOM 279 C LYS A 19 -11.960 -8.206 -4.118 1.00 0.00 C ATOM 280 O LYS A 19 -12.129 -9.418 -4.248 1.00 0.00 O ATOM 281 CB LYS A 19 -9.975 -8.119 -5.637 1.00 0.00 C ATOM 282 CG LYS A 19 -9.886 -9.634 -5.682 1.00 0.00 C ATOM 283 CD LYS A 19 -8.876 -10.103 -6.716 1.00 0.00 C ATOM 284 CE LYS A 19 -9.417 -9.957 -8.130 1.00 0.00 C ATOM 285 NZ LYS A 19 -8.324 -9.790 -9.128 1.00 0.00 N ATOM 0 H LYS A 19 -8.843 -8.338 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.711 -6.500 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.570 -7.773 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.976 -7.701 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.604 -10.012 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.866 -10.050 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.957 -9.526 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.620 -11.146 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.010 -10.836 -8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.085 -9.097 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.734 -9.694 -10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.773 -8.938 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.700 -10.622 -9.102 1.00 0.00 H new ATOM 299 N GLY A 20 -12.939 -7.372 -3.781 1.00 0.00 N ATOM 300 CA GLY A 20 -14.284 -7.863 -3.546 1.00 0.00 C ATOM 301 C GLY A 20 -14.610 -7.977 -2.070 1.00 0.00 C ATOM 302 O GLY A 20 -15.633 -7.467 -1.613 1.00 0.00 O ATOM 0 H GLY A 20 -12.824 -6.365 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.000 -7.194 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.398 -8.839 -4.017 1.00 0.00 H new ATOM 306 N GLN A 21 -13.739 -8.648 -1.323 1.00 0.00 N ATOM 307 CA GLN A 21 -13.941 -8.829 0.109 1.00 0.00 C ATOM 308 C GLN A 21 -13.488 -7.595 0.883 1.00 0.00 C ATOM 309 O GLN A 21 -12.983 -6.634 0.300 1.00 0.00 O ATOM 310 CB GLN A 21 -13.181 -10.061 0.601 1.00 0.00 C ATOM 311 CG GLN A 21 -13.952 -11.360 0.431 1.00 0.00 C ATOM 312 CD GLN A 21 -13.501 -12.438 1.396 1.00 0.00 C ATOM 313 OE1 GLN A 21 -13.172 -12.157 2.549 1.00 0.00 O ATOM 314 NE2 GLN A 21 -13.482 -13.681 0.930 1.00 0.00 N ATOM 0 H GLN A 21 -12.887 -9.075 -1.686 1.00 0.00 H new ATOM 0 HA GLN A 21 -15.007 -8.974 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -12.237 -10.135 0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.935 -9.929 1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.015 -11.169 0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.830 -11.719 -0.591 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.763 -13.869 -0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.187 -14.448 1.534 1.00 0.00 H new ATOM 323 N LEU A 22 -13.673 -7.627 2.198 1.00 0.00 N ATOM 324 CA LEU A 22 -13.283 -6.510 3.053 1.00 0.00 C ATOM 325 C LEU A 22 -11.818 -6.623 3.462 1.00 0.00 C ATOM 326 O LEU A 22 -11.231 -7.706 3.467 1.00 0.00 O ATOM 327 CB LEU A 22 -14.171 -6.462 4.298 1.00 0.00 C ATOM 328 CG LEU A 22 -15.579 -5.901 4.097 1.00 0.00 C ATOM 329 CD1 LEU A 22 -16.436 -6.157 5.327 1.00 0.00 C ATOM 330 CD2 LEU A 22 -15.521 -4.413 3.785 1.00 0.00 C ATOM 0 H LEU A 22 -14.090 -8.413 2.696 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.412 -5.588 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.258 -7.473 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.667 -5.862 5.056 1.00 0.00 H new ATOM 0 HG LEU A 22 -16.035 -6.412 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.435 -5.751 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -16.505 -7.230 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -15.983 -5.674 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.532 -4.031 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.045 -3.886 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.944 -4.254 2.874 1.00 0.00 H new ATOM 342 N PRO A 23 -11.213 -5.480 3.817 1.00 0.00 N ATOM 343 CA PRO A 23 -9.810 -5.425 4.238 1.00 0.00 C ATOM 344 C PRO A 23 -9.586 -6.080 5.597 1.00 0.00 C ATOM 345 O PRO A 23 -10.467 -6.064 6.456 1.00 0.00 O ATOM 346 CB PRO A 23 -9.521 -3.924 4.313 1.00 0.00 C ATOM 347 CG PRO A 23 -10.850 -3.294 4.554 1.00 0.00 C ATOM 348 CD PRO A 23 -11.852 -4.154 3.835 1.00 0.00 C ATOM 0 HA PRO A 23 -9.157 -5.965 3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.823 -3.695 5.118 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.072 -3.561 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.071 -3.245 5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.871 -2.272 4.177 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.809 -4.176 4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.046 -3.788 2.827 1.00 0.00 H new ATOM 356 N ASP A 24 -8.403 -6.653 5.784 1.00 0.00 N ATOM 357 CA ASP A 24 -8.062 -7.312 7.039 1.00 0.00 C ATOM 358 C ASP A 24 -7.425 -6.327 8.015 1.00 0.00 C ATOM 359 O ASP A 24 -6.471 -5.628 7.672 1.00 0.00 O ATOM 360 CB ASP A 24 -7.112 -8.484 6.784 1.00 0.00 C ATOM 361 CG ASP A 24 -7.702 -9.512 5.840 1.00 0.00 C ATOM 362 OD1 ASP A 24 -7.701 -9.265 4.616 1.00 0.00 O ATOM 363 OD2 ASP A 24 -8.165 -10.566 6.325 1.00 0.00 O ATOM 0 H ASP A 24 -7.663 -6.675 5.082 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.982 -7.691 7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.178 -8.107 6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.868 -8.963 7.732 1.00 0.00 H new ATOM 368 N TYR A 25 -7.959 -6.277 9.230 1.00 0.00 N ATOM 369 CA TYR A 25 -7.445 -5.376 10.254 1.00 0.00 C ATOM 370 C TYR A 25 -6.849 -6.158 11.420 1.00 0.00 C ATOM 371 O TYR A 25 -6.668 -5.624 12.515 1.00 0.00 O ATOM 372 CB TYR A 25 -8.558 -4.456 10.759 1.00 0.00 C ATOM 373 CG TYR A 25 -9.167 -3.592 9.677 1.00 0.00 C ATOM 374 CD1 TYR A 25 -8.540 -2.424 9.260 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.368 -3.942 9.074 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.093 -1.631 8.272 1.00 0.00 C ATOM 377 CE2 TYR A 25 -10.927 -3.156 8.085 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.286 -2.001 7.688 1.00 0.00 C ATOM 379 OH TYR A 25 -10.840 -1.215 6.704 1.00 0.00 O ATOM 0 H TYR A 25 -8.748 -6.850 9.530 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.657 -4.771 9.806 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.342 -5.063 11.212 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.159 -3.813 11.544 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.605 -2.131 9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.874 -4.845 9.384 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.593 -0.726 7.959 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.861 -3.444 7.625 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.811 -1.173 6.827 1.00 0.00 H new ATOM 389 N THR A 26 -6.546 -7.430 11.177 1.00 0.00 N ATOM 390 CA THR A 26 -5.971 -8.288 12.205 1.00 0.00 C ATOM 391 C THR A 26 -4.491 -8.543 11.944 1.00 0.00 C ATOM 392 O THR A 26 -3.677 -8.531 12.867 1.00 0.00 O ATOM 393 CB THR A 26 -6.707 -9.639 12.285 1.00 0.00 C ATOM 394 OG1 THR A 26 -6.750 -10.250 10.991 1.00 0.00 O ATOM 395 CG2 THR A 26 -8.121 -9.454 12.812 1.00 0.00 C ATOM 0 H THR A 26 -6.690 -7.888 10.277 1.00 0.00 H new ATOM 0 HA THR A 26 -6.084 -7.764 13.154 1.00 0.00 H new ATOM 0 HB THR A 26 -6.162 -10.285 12.973 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.218 -11.109 11.050 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.621 -10.421 12.860 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.083 -9.016 13.809 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.674 -8.792 12.145 1.00 0.00 H new ATOM 403 N SER A 27 -4.149 -8.773 10.680 1.00 0.00 N ATOM 404 CA SER A 27 -2.766 -9.034 10.298 1.00 0.00 C ATOM 405 C SER A 27 -2.293 -8.031 9.250 1.00 0.00 C ATOM 406 O SER A 27 -1.978 -8.384 8.114 1.00 0.00 O ATOM 407 CB SER A 27 -2.624 -10.459 9.758 1.00 0.00 C ATOM 408 OG SER A 27 -2.378 -11.380 10.806 1.00 0.00 O ATOM 0 H SER A 27 -4.810 -8.784 9.904 1.00 0.00 H new ATOM 0 HA SER A 27 -2.143 -8.926 11.186 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.533 -10.742 9.227 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.808 -10.498 9.036 1.00 0.00 H new ATOM 0 HG SER A 27 -2.293 -12.283 10.435 1.00 0.00 H new ATOM 414 N PRO A 28 -2.242 -6.749 9.641 1.00 0.00 N ATOM 415 CA PRO A 28 -1.809 -5.668 8.751 1.00 0.00 C ATOM 416 C PRO A 28 -0.317 -5.735 8.441 1.00 0.00 C ATOM 417 O PRO A 28 0.391 -6.613 8.933 1.00 0.00 O ATOM 418 CB PRO A 28 -2.133 -4.402 9.548 1.00 0.00 C ATOM 419 CG PRO A 28 -2.112 -4.835 10.973 1.00 0.00 C ATOM 420 CD PRO A 28 -2.603 -6.257 10.980 1.00 0.00 C ATOM 0 HA PRO A 28 -2.303 -5.716 7.781 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.399 -3.618 9.362 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.107 -3.999 9.271 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.106 -4.767 11.387 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.752 -4.198 11.584 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.126 -6.843 11.766 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.678 -6.310 11.151 1.00 0.00 H new ATOM 428 N VAL A 29 0.155 -4.801 7.621 1.00 0.00 N ATOM 429 CA VAL A 29 1.563 -4.753 7.246 1.00 0.00 C ATOM 430 C VAL A 29 2.266 -3.568 7.899 1.00 0.00 C ATOM 431 O VAL A 29 1.919 -2.413 7.652 1.00 0.00 O ATOM 432 CB VAL A 29 1.734 -4.659 5.718 1.00 0.00 C ATOM 433 CG1 VAL A 29 0.840 -3.569 5.147 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.191 -4.407 5.361 1.00 0.00 C ATOM 0 H VAL A 29 -0.418 -4.067 7.204 1.00 0.00 H new ATOM 0 HA VAL A 29 2.016 -5.680 7.599 1.00 0.00 H new ATOM 0 HB VAL A 29 1.434 -5.609 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.974 -3.517 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.202 -3.797 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.106 -2.610 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.294 -4.343 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.520 -3.471 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.805 -5.226 5.736 1.00 0.00 H new ATOM 444 N VAL A 30 3.257 -3.863 8.735 1.00 0.00 N ATOM 445 CA VAL A 30 4.010 -2.822 9.424 1.00 0.00 C ATOM 446 C VAL A 30 5.154 -2.306 8.557 1.00 0.00 C ATOM 447 O VAL A 30 6.187 -2.962 8.418 1.00 0.00 O ATOM 448 CB VAL A 30 4.584 -3.334 10.759 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.278 -2.207 11.509 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.484 -3.953 11.608 1.00 0.00 C ATOM 0 H VAL A 30 3.557 -4.814 8.951 1.00 0.00 H new ATOM 0 HA VAL A 30 3.313 -2.008 9.625 1.00 0.00 H new ATOM 0 HB VAL A 30 5.324 -4.105 10.545 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.677 -2.587 12.449 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.093 -1.814 10.902 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.562 -1.411 11.714 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.907 -4.310 12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.719 -3.204 11.815 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.037 -4.789 11.071 1.00 0.00 H new ATOM 460 N LEU A 31 4.962 -1.128 7.975 1.00 0.00 N ATOM 461 CA LEU A 31 5.978 -0.522 7.121 1.00 0.00 C ATOM 462 C LEU A 31 6.671 0.634 7.834 1.00 0.00 C ATOM 463 O LEU A 31 6.058 1.385 8.593 1.00 0.00 O ATOM 464 CB LEU A 31 5.348 -0.028 5.817 1.00 0.00 C ATOM 465 CG LEU A 31 4.793 -1.108 4.888 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.121 -0.477 3.678 1.00 0.00 C ATOM 467 CD2 LEU A 31 5.901 -2.056 4.451 1.00 0.00 C ATOM 0 H LEU A 31 4.112 -0.573 8.078 1.00 0.00 H new ATOM 0 HA LEU A 31 6.725 -1.282 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.540 0.660 6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.097 0.544 5.269 1.00 0.00 H new ATOM 0 HG LEU A 31 4.045 -1.682 5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.732 -1.261 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.301 0.161 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.848 0.122 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.488 -2.818 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.672 -1.496 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.338 -2.534 5.328 1.00 0.00 H new ATOM 479 N PRO A 32 7.980 0.784 7.585 1.00 0.00 N ATOM 480 CA PRO A 32 8.785 1.849 8.192 1.00 0.00 C ATOM 481 C PRO A 32 8.424 3.228 7.651 1.00 0.00 C ATOM 482 O PRO A 32 8.070 3.373 6.481 1.00 0.00 O ATOM 483 CB PRO A 32 10.217 1.478 7.799 1.00 0.00 C ATOM 484 CG PRO A 32 10.073 0.675 6.553 1.00 0.00 C ATOM 485 CD PRO A 32 8.776 -0.074 6.691 1.00 0.00 C ATOM 0 HA PRO A 32 8.628 1.916 9.268 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.824 2.367 7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.707 0.904 8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.060 1.318 5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.910 -0.013 6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.287 -0.212 5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.928 -1.066 7.116 1.00 0.00 H new ATOM 493 N TYR A 33 8.517 4.237 8.509 1.00 0.00 N ATOM 494 CA TYR A 33 8.198 5.605 8.118 1.00 0.00 C ATOM 495 C TYR A 33 9.156 6.100 7.039 1.00 0.00 C ATOM 496 O TYR A 33 8.737 6.467 5.941 1.00 0.00 O ATOM 497 CB TYR A 33 8.257 6.533 9.333 1.00 0.00 C ATOM 498 CG TYR A 33 7.443 7.796 9.170 1.00 0.00 C ATOM 499 CD1 TYR A 33 6.092 7.822 9.493 1.00 0.00 C ATOM 500 CD2 TYR A 33 8.024 8.964 8.691 1.00 0.00 C ATOM 501 CE1 TYR A 33 5.343 8.974 9.346 1.00 0.00 C ATOM 502 CE2 TYR A 33 7.284 10.121 8.542 1.00 0.00 C ATOM 503 CZ TYR A 33 5.944 10.121 8.870 1.00 0.00 C ATOM 504 OH TYR A 33 5.203 11.271 8.721 1.00 0.00 O ATOM 0 H TYR A 33 8.811 4.134 9.480 1.00 0.00 H new ATOM 0 HA TYR A 33 7.186 5.613 7.712 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.902 5.992 10.210 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.296 6.802 9.524 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.619 6.926 9.866 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.072 8.967 8.431 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.294 8.976 9.602 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.752 11.021 8.171 1.00 0.00 H new ATOM 0 HH TYR A 33 5.776 11.987 8.377 1.00 0.00 H new ATOM 514 N SER A 34 10.446 6.108 7.360 1.00 0.00 N ATOM 515 CA SER A 34 11.465 6.561 6.421 1.00 0.00 C ATOM 516 C SER A 34 11.156 6.076 5.008 1.00 0.00 C ATOM 517 O SER A 34 11.388 6.788 4.031 1.00 0.00 O ATOM 518 CB SER A 34 12.845 6.061 6.853 1.00 0.00 C ATOM 519 OG SER A 34 13.816 6.317 5.853 1.00 0.00 O ATOM 0 H SER A 34 10.810 5.806 8.264 1.00 0.00 H new ATOM 0 HA SER A 34 11.465 7.651 6.421 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.138 6.550 7.782 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.801 4.991 7.056 1.00 0.00 H new ATOM 0 HG SER A 34 14.689 5.990 6.154 1.00 0.00 H new ATOM 525 N ARG A 35 10.630 4.859 4.909 1.00 0.00 N ATOM 526 CA ARG A 35 10.289 4.277 3.616 1.00 0.00 C ATOM 527 C ARG A 35 8.813 3.895 3.564 1.00 0.00 C ATOM 528 O ARG A 35 8.423 2.816 4.010 1.00 0.00 O ATOM 529 CB ARG A 35 11.156 3.046 3.343 1.00 0.00 C ATOM 530 CG ARG A 35 12.648 3.337 3.355 1.00 0.00 C ATOM 531 CD ARG A 35 13.060 4.188 2.165 1.00 0.00 C ATOM 532 NE ARG A 35 14.403 4.739 2.324 1.00 0.00 N ATOM 533 CZ ARG A 35 15.509 4.007 2.259 1.00 0.00 C ATOM 534 NH1 ARG A 35 15.433 2.701 2.039 1.00 0.00 N ATOM 535 NH2 ARG A 35 16.696 4.580 2.414 1.00 0.00 N ATOM 0 H ARG A 35 10.431 4.257 5.708 1.00 0.00 H new ATOM 0 HA ARG A 35 10.480 5.025 2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.937 2.285 4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.884 2.628 2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.912 3.851 4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.203 2.399 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.021 3.585 1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.347 5.002 2.038 1.00 0.00 H new ATOM 0 HE ARG A 35 14.497 5.740 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.523 2.256 1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.285 2.142 1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.760 5.584 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.545 4.017 2.364 1.00 0.00 H new ATOM 549 N THR A 36 7.995 4.789 3.016 1.00 0.00 N ATOM 550 CA THR A 36 6.562 4.547 2.907 1.00 0.00 C ATOM 551 C THR A 36 6.041 4.941 1.529 1.00 0.00 C ATOM 552 O THR A 36 6.069 6.114 1.155 1.00 0.00 O ATOM 553 CB THR A 36 5.777 5.323 3.981 1.00 0.00 C ATOM 554 OG1 THR A 36 6.328 6.636 4.137 1.00 0.00 O ATOM 555 CG2 THR A 36 5.815 4.591 5.314 1.00 0.00 C ATOM 0 H THR A 36 8.301 5.687 2.641 1.00 0.00 H new ATOM 0 HA THR A 36 6.410 3.478 3.058 1.00 0.00 H new ATOM 0 HB THR A 36 4.739 5.400 3.656 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.112 6.594 4.723 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.254 5.158 6.057 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.369 3.603 5.199 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.849 4.487 5.642 1.00 0.00 H new ATOM 563 N THR A 37 5.564 3.954 0.777 1.00 0.00 N ATOM 564 CA THR A 37 5.037 4.197 -0.560 1.00 0.00 C ATOM 565 C THR A 37 4.289 2.978 -1.086 1.00 0.00 C ATOM 566 O THR A 37 4.564 1.847 -0.685 1.00 0.00 O ATOM 567 CB THR A 37 6.160 4.563 -1.548 1.00 0.00 C ATOM 568 OG1 THR A 37 7.381 3.922 -1.162 1.00 0.00 O ATOM 569 CG2 THR A 37 6.367 6.069 -1.599 1.00 0.00 C ATOM 0 H THR A 37 5.532 2.978 1.072 1.00 0.00 H new ATOM 0 HA THR A 37 4.346 5.036 -0.480 1.00 0.00 H new ATOM 0 HB THR A 37 5.867 4.219 -2.540 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.089 4.159 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.165 6.303 -2.304 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.445 6.552 -1.922 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.640 6.433 -0.608 1.00 0.00 H new ATOM 577 N VAL A 38 3.342 3.215 -1.989 1.00 0.00 N ATOM 578 CA VAL A 38 2.555 2.135 -2.572 1.00 0.00 C ATOM 579 C VAL A 38 3.450 0.987 -3.026 1.00 0.00 C ATOM 580 O VAL A 38 3.075 -0.181 -2.927 1.00 0.00 O ATOM 581 CB VAL A 38 1.726 2.630 -3.772 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.237 1.455 -4.605 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.557 3.479 -3.296 1.00 0.00 C ATOM 0 H VAL A 38 3.102 4.145 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 38 1.879 1.780 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 38 2.364 3.250 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.653 1.825 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.093 0.891 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.614 0.807 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.019 3.821 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.083 2.884 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.934 4.341 -2.746 1.00 0.00 H new ATOM 593 N GLU A 39 4.634 1.327 -3.525 1.00 0.00 N ATOM 594 CA GLU A 39 5.582 0.324 -3.994 1.00 0.00 C ATOM 595 C GLU A 39 6.161 -0.467 -2.825 1.00 0.00 C ATOM 596 O GLU A 39 6.275 -1.691 -2.885 1.00 0.00 O ATOM 597 CB GLU A 39 6.711 0.987 -4.785 1.00 0.00 C ATOM 598 CG GLU A 39 7.823 1.541 -3.910 1.00 0.00 C ATOM 599 CD GLU A 39 8.912 2.226 -4.713 1.00 0.00 C ATOM 600 OE1 GLU A 39 9.392 1.622 -5.696 1.00 0.00 O ATOM 601 OE2 GLU A 39 9.283 3.364 -4.360 1.00 0.00 O ATOM 0 H GLU A 39 4.959 2.290 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 39 5.048 -0.366 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.134 0.260 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.296 1.796 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.401 2.251 -3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.261 0.730 -3.329 1.00 0.00 H new ATOM 608 N ASP A 40 6.526 0.242 -1.762 1.00 0.00 N ATOM 609 CA ASP A 40 7.093 -0.392 -0.578 1.00 0.00 C ATOM 610 C ASP A 40 6.199 -1.527 -0.089 1.00 0.00 C ATOM 611 O ASP A 40 6.683 -2.527 0.444 1.00 0.00 O ATOM 612 CB ASP A 40 7.286 0.638 0.535 1.00 0.00 C ATOM 613 CG ASP A 40 8.255 0.164 1.601 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.622 -1.029 1.580 1.00 0.00 O ATOM 615 OD2 ASP A 40 8.645 0.986 2.457 1.00 0.00 O ATOM 0 H ASP A 40 6.439 1.256 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 40 8.063 -0.809 -0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.652 1.570 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.322 0.856 0.995 1.00 0.00 H new ATOM 620 N PHE A 41 4.893 -1.365 -0.271 1.00 0.00 N ATOM 621 CA PHE A 41 3.931 -2.375 0.154 1.00 0.00 C ATOM 622 C PHE A 41 3.918 -3.556 -0.813 1.00 0.00 C ATOM 623 O PHE A 41 3.989 -4.713 -0.398 1.00 0.00 O ATOM 624 CB PHE A 41 2.530 -1.767 0.252 1.00 0.00 C ATOM 625 CG PHE A 41 1.443 -2.789 0.420 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.033 -3.566 -0.652 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.830 -2.973 1.649 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.032 -4.508 -0.501 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.170 -3.914 1.806 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.570 -4.681 0.730 1.00 0.00 C ATOM 0 H PHE A 41 4.476 -0.544 -0.710 1.00 0.00 H new ATOM 0 HA PHE A 41 4.233 -2.736 1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.501 -1.076 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.333 -1.183 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.501 -3.434 -1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.137 -2.374 2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.279 -5.107 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.638 -4.049 2.770 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.353 -5.415 0.851 1.00 0.00 H new ATOM 640 N CYS A 42 3.827 -3.254 -2.104 1.00 0.00 N ATOM 641 CA CYS A 42 3.804 -4.289 -3.131 1.00 0.00 C ATOM 642 C CYS A 42 4.897 -5.324 -2.885 1.00 0.00 C ATOM 643 O CYS A 42 4.678 -6.524 -3.049 1.00 0.00 O ATOM 644 CB CYS A 42 3.977 -3.666 -4.517 1.00 0.00 C ATOM 645 SG CYS A 42 5.701 -3.452 -5.020 1.00 0.00 S ATOM 0 H CYS A 42 3.768 -2.301 -2.464 1.00 0.00 H new ATOM 0 HA CYS A 42 2.837 -4.790 -3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.471 -4.293 -5.251 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.482 -2.695 -4.531 1.00 0.00 H new ATOM 0 HG CYS A 42 6.285 -2.610 -4.220 1.00 0.00 H new ATOM 651 N MET A 43 6.075 -4.851 -2.492 1.00 0.00 N ATOM 652 CA MET A 43 7.203 -5.735 -2.224 1.00 0.00 C ATOM 653 C MET A 43 6.876 -6.706 -1.094 1.00 0.00 C ATOM 654 O MET A 43 7.125 -7.907 -1.202 1.00 0.00 O ATOM 655 CB MET A 43 8.446 -4.918 -1.867 1.00 0.00 C ATOM 656 CG MET A 43 8.888 -3.970 -2.969 1.00 0.00 C ATOM 657 SD MET A 43 10.031 -4.740 -4.131 1.00 0.00 S ATOM 658 CE MET A 43 9.188 -4.442 -5.683 1.00 0.00 C ATOM 0 H MET A 43 6.273 -3.860 -2.352 1.00 0.00 H new ATOM 0 HA MET A 43 7.404 -6.311 -3.127 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.245 -4.343 -0.963 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.264 -5.600 -1.636 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.011 -3.614 -3.510 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.363 -3.097 -2.523 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.773 -4.861 -6.501 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.206 -4.914 -5.660 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.071 -3.369 -5.833 1.00 0.00 H new ATOM 668 N LYS A 44 6.317 -6.179 -0.010 1.00 0.00 N ATOM 669 CA LYS A 44 5.954 -6.998 1.140 1.00 0.00 C ATOM 670 C LYS A 44 5.134 -8.210 0.708 1.00 0.00 C ATOM 671 O LYS A 44 5.250 -9.289 1.290 1.00 0.00 O ATOM 672 CB LYS A 44 5.163 -6.169 2.154 1.00 0.00 C ATOM 673 CG LYS A 44 6.040 -5.385 3.115 1.00 0.00 C ATOM 674 CD LYS A 44 6.871 -6.308 3.991 1.00 0.00 C ATOM 675 CE LYS A 44 7.257 -5.636 5.300 1.00 0.00 C ATOM 676 NZ LYS A 44 7.513 -6.629 6.379 1.00 0.00 N ATOM 0 H LYS A 44 6.105 -5.187 0.096 1.00 0.00 H new ATOM 0 HA LYS A 44 6.873 -7.351 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.516 -5.475 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.514 -6.832 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.700 -4.725 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.416 -4.750 3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.308 -7.218 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.772 -6.607 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.149 -5.028 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.460 -4.960 5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.773 -6.131 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.654 -7.192 6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.291 -7.258 6.094 1.00 0.00 H new ATOM 690 N ILE A 45 4.307 -8.024 -0.315 1.00 0.00 N ATOM 691 CA ILE A 45 3.470 -9.103 -0.825 1.00 0.00 C ATOM 692 C ILE A 45 4.222 -9.943 -1.852 1.00 0.00 C ATOM 693 O ILE A 45 4.550 -11.103 -1.602 1.00 0.00 O ATOM 694 CB ILE A 45 2.181 -8.559 -1.468 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.434 -7.658 -0.482 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.291 -9.707 -1.923 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.552 -8.109 0.957 1.00 0.00 C ATOM 0 H ILE A 45 4.199 -7.137 -0.807 1.00 0.00 H new ATOM 0 HA ILE A 45 3.205 -9.728 0.028 1.00 0.00 H new ATOM 0 HB ILE A 45 2.451 -7.965 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.818 -6.642 -0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.380 -7.625 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.384 -9.307 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.825 -10.313 -2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.026 -10.324 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.998 -7.424 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.141 -9.114 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.601 -8.115 1.252 1.00 0.00 H new ATOM 709 N HIS A 46 4.493 -9.349 -3.010 1.00 0.00 N ATOM 710 CA HIS A 46 5.209 -10.041 -4.075 1.00 0.00 C ATOM 711 C HIS A 46 6.220 -9.114 -4.743 1.00 0.00 C ATOM 712 O HIS A 46 5.932 -7.944 -4.997 1.00 0.00 O ATOM 713 CB HIS A 46 4.225 -10.576 -5.116 1.00 0.00 C ATOM 714 CG HIS A 46 4.696 -11.822 -5.801 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.182 -11.833 -7.092 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.754 -13.102 -5.367 1.00 0.00 C ATOM 717 CE1 HIS A 46 5.518 -13.068 -7.422 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.268 -13.857 -6.393 1.00 0.00 N ATOM 0 H HIS A 46 4.227 -8.390 -3.234 1.00 0.00 H new ATOM 0 HA HIS A 46 5.748 -10.878 -3.631 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.270 -10.777 -4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.046 -9.805 -5.865 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.452 -13.463 -4.395 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.927 -13.379 -8.372 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.430 -14.864 -6.365 1.00 0.00 H new ATOM 727 N LYS A 47 7.406 -9.643 -5.024 1.00 0.00 N ATOM 728 CA LYS A 47 8.460 -8.864 -5.663 1.00 0.00 C ATOM 729 C LYS A 47 8.119 -8.579 -7.122 1.00 0.00 C ATOM 730 O LYS A 47 8.689 -7.680 -7.738 1.00 0.00 O ATOM 731 CB LYS A 47 9.795 -9.608 -5.577 1.00 0.00 C ATOM 732 CG LYS A 47 9.813 -10.917 -6.346 1.00 0.00 C ATOM 733 CD LYS A 47 11.232 -11.358 -6.664 1.00 0.00 C ATOM 734 CE LYS A 47 11.758 -10.680 -7.920 1.00 0.00 C ATOM 735 NZ LYS A 47 11.167 -11.264 -9.155 1.00 0.00 N ATOM 0 H LYS A 47 7.662 -10.609 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 47 8.545 -7.914 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.586 -8.962 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.023 -9.808 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.313 -11.690 -5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.250 -10.803 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.884 -11.124 -5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.257 -12.440 -6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.533 -9.614 -7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.843 -10.775 -7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.681 -10.910 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.240 -12.301 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.166 -10.990 -9.224 1.00 0.00 H new ATOM 749 N ASN A 48 7.183 -9.349 -7.667 1.00 0.00 N ATOM 750 CA ASN A 48 6.765 -9.178 -9.054 1.00 0.00 C ATOM 751 C ASN A 48 5.323 -8.685 -9.130 1.00 0.00 C ATOM 752 O ASN A 48 4.579 -9.046 -10.044 1.00 0.00 O ATOM 753 CB ASN A 48 6.906 -10.496 -9.818 1.00 0.00 C ATOM 754 CG ASN A 48 6.382 -10.401 -11.238 1.00 0.00 C ATOM 755 OD1 ASN A 48 6.874 -9.419 -11.985 1.00 0.00 O flip ATOM 756 ND2 ASN A 48 5.546 -11.200 -11.658 1.00 0.00 N flip ATOM 0 H ASN A 48 6.700 -10.097 -7.170 1.00 0.00 H new ATOM 0 HA ASN A 48 7.411 -8.430 -9.513 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.956 -10.789 -9.840 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.367 -11.280 -9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.196 -11.939 -11.049 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.203 -11.123 -12.616 1.00 0.00 H new ATOM 763 N LEU A 49 4.934 -7.858 -8.166 1.00 0.00 N ATOM 764 CA LEU A 49 3.581 -7.315 -8.123 1.00 0.00 C ATOM 765 C LEU A 49 3.524 -5.945 -8.792 1.00 0.00 C ATOM 766 O LEU A 49 2.661 -5.689 -9.632 1.00 0.00 O ATOM 767 CB LEU A 49 3.098 -7.209 -6.676 1.00 0.00 C ATOM 768 CG LEU A 49 1.799 -6.433 -6.457 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.642 -7.120 -7.165 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.507 -6.291 -4.970 1.00 0.00 C ATOM 0 H LEU A 49 5.537 -7.549 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 49 2.926 -7.994 -8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.966 -8.217 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.883 -6.737 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 49 1.918 -5.436 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.274 -6.554 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.848 -7.170 -8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.522 -8.129 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.579 -5.736 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.408 -7.280 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.325 -5.755 -4.488 1.00 0.00 H new ATOM 782 N ILE A 50 4.449 -5.068 -8.414 1.00 0.00 N ATOM 783 CA ILE A 50 4.505 -3.726 -8.979 1.00 0.00 C ATOM 784 C ILE A 50 4.348 -3.762 -10.496 1.00 0.00 C ATOM 785 O ILE A 50 3.771 -2.852 -11.093 1.00 0.00 O ATOM 786 CB ILE A 50 5.829 -3.022 -8.628 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.704 -1.514 -8.851 1.00 0.00 C ATOM 788 CG2 ILE A 50 6.969 -3.593 -9.458 1.00 0.00 C ATOM 789 CD1 ILE A 50 4.907 -0.808 -7.775 1.00 0.00 C ATOM 0 H ILE A 50 5.169 -5.263 -7.719 1.00 0.00 H new ATOM 0 HA ILE A 50 3.678 -3.165 -8.543 1.00 0.00 H new ATOM 0 HB ILE A 50 6.049 -3.198 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.702 -1.078 -8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.232 -1.336 -9.817 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.898 -3.085 -9.198 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.069 -4.659 -9.254 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.758 -3.444 -10.517 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.859 0.258 -7.998 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.897 -1.217 -7.742 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.390 -0.956 -6.809 1.00 0.00 H new ATOM 801 N LYS A 51 4.862 -4.819 -11.114 1.00 0.00 N ATOM 802 CA LYS A 51 4.777 -4.977 -12.561 1.00 0.00 C ATOM 803 C LYS A 51 3.325 -5.106 -13.010 1.00 0.00 C ATOM 804 O LYS A 51 2.937 -4.570 -14.047 1.00 0.00 O ATOM 805 CB LYS A 51 5.572 -6.205 -13.009 1.00 0.00 C ATOM 806 CG LYS A 51 7.066 -6.087 -12.759 1.00 0.00 C ATOM 807 CD LYS A 51 7.863 -6.935 -13.736 1.00 0.00 C ATOM 808 CE LYS A 51 9.249 -6.355 -13.976 1.00 0.00 C ATOM 809 NZ LYS A 51 9.945 -7.030 -15.106 1.00 0.00 N ATOM 0 H LYS A 51 5.343 -5.580 -10.635 1.00 0.00 H new ATOM 0 HA LYS A 51 5.204 -4.087 -13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.193 -7.083 -12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.402 -6.369 -14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.370 -5.044 -12.849 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.291 -6.398 -11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.954 -7.950 -13.348 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.327 -7.002 -14.683 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.165 -5.289 -14.186 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.846 -6.455 -13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.886 -6.606 -15.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.048 -8.043 -14.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.388 -6.913 -15.976 1.00 0.00 H new ATOM 823 N GLU A 52 2.528 -5.820 -12.221 1.00 0.00 N ATOM 824 CA GLU A 52 1.119 -6.019 -12.538 1.00 0.00 C ATOM 825 C GLU A 52 0.257 -4.942 -11.885 1.00 0.00 C ATOM 826 O GLU A 52 -0.904 -4.755 -12.249 1.00 0.00 O ATOM 827 CB GLU A 52 0.660 -7.404 -12.078 1.00 0.00 C ATOM 828 CG GLU A 52 1.611 -8.522 -12.470 1.00 0.00 C ATOM 829 CD GLU A 52 1.497 -8.898 -13.935 1.00 0.00 C ATOM 830 OE1 GLU A 52 1.100 -8.032 -14.741 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.806 -10.060 -14.274 1.00 0.00 O ATOM 0 H GLU A 52 2.834 -6.270 -11.358 1.00 0.00 H new ATOM 0 HA GLU A 52 1.003 -5.947 -13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.547 -7.398 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.323 -7.610 -12.500 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.635 -8.215 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.407 -9.400 -11.857 1.00 0.00 H new ATOM 838 N PHE A 53 0.834 -4.237 -10.917 1.00 0.00 N ATOM 839 CA PHE A 53 0.120 -3.181 -10.211 1.00 0.00 C ATOM 840 C PHE A 53 -0.294 -2.068 -11.170 1.00 0.00 C ATOM 841 O PHE A 53 0.544 -1.479 -11.854 1.00 0.00 O ATOM 842 CB PHE A 53 0.991 -2.606 -9.091 1.00 0.00 C ATOM 843 CG PHE A 53 0.545 -1.252 -8.619 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.456 -1.130 -7.669 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.126 -0.101 -9.127 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.868 0.115 -7.232 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.718 1.146 -8.693 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.281 1.254 -7.746 1.00 0.00 C ATOM 0 H PHE A 53 1.794 -4.379 -10.604 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.780 -3.615 -9.776 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.986 -3.296 -8.247 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.021 -2.539 -9.441 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.920 -2.018 -7.265 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.906 -0.179 -9.870 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.648 0.197 -6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.180 2.036 -9.094 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.603 2.228 -7.408 1.00 0.00 H new ATOM 858 N LYS A 54 -1.591 -1.786 -11.215 1.00 0.00 N ATOM 859 CA LYS A 54 -2.118 -0.745 -12.090 1.00 0.00 C ATOM 860 C LYS A 54 -2.427 0.523 -11.300 1.00 0.00 C ATOM 861 O LYS A 54 -2.123 1.631 -11.743 1.00 0.00 O ATOM 862 CB LYS A 54 -3.381 -1.237 -12.799 1.00 0.00 C ATOM 863 CG LYS A 54 -3.772 -0.394 -14.001 1.00 0.00 C ATOM 864 CD LYS A 54 -5.210 -0.650 -14.418 1.00 0.00 C ATOM 865 CE LYS A 54 -5.827 0.577 -15.072 1.00 0.00 C ATOM 866 NZ LYS A 54 -5.174 0.901 -16.371 1.00 0.00 N ATOM 0 H LYS A 54 -2.297 -2.264 -10.656 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.358 -0.512 -12.836 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.228 -2.267 -13.122 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.207 -1.245 -12.088 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.644 0.662 -13.763 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.106 -0.616 -14.834 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.245 -1.490 -15.112 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.798 -0.933 -13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.891 0.406 -15.233 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.740 1.430 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.623 1.743 -16.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.163 1.089 -16.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.279 0.097 -17.023 1.00 0.00 H new ATOM 880 N TYR A 55 -3.032 0.353 -10.130 1.00 0.00 N ATOM 881 CA TYR A 55 -3.383 1.484 -9.279 1.00 0.00 C ATOM 882 C TYR A 55 -3.730 1.018 -7.869 1.00 0.00 C ATOM 883 O TYR A 55 -3.944 -0.170 -7.631 1.00 0.00 O ATOM 884 CB TYR A 55 -4.561 2.254 -9.879 1.00 0.00 C ATOM 885 CG TYR A 55 -5.827 1.434 -9.989 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.716 1.346 -8.925 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.133 0.746 -11.156 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.873 0.598 -9.020 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.289 -0.004 -11.262 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.155 -0.075 -10.191 1.00 0.00 C ATOM 891 OH TYR A 55 -9.307 -0.822 -10.291 1.00 0.00 O ATOM 0 H TYR A 55 -3.290 -0.557 -9.749 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.518 2.145 -9.221 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.760 3.133 -9.266 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.283 2.613 -10.870 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.498 1.872 -8.007 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.456 0.798 -11.996 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.553 0.540 -8.183 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.513 -0.531 -12.178 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.356 -1.231 -11.180 1.00 0.00 H new ATOM 901 N ALA A 56 -3.785 1.964 -6.937 1.00 0.00 N ATOM 902 CA ALA A 56 -4.109 1.653 -5.550 1.00 0.00 C ATOM 903 C ALA A 56 -5.140 2.630 -4.994 1.00 0.00 C ATOM 904 O ALA A 56 -5.036 3.840 -5.198 1.00 0.00 O ATOM 905 CB ALA A 56 -2.849 1.670 -4.697 1.00 0.00 C ATOM 0 H ALA A 56 -3.609 2.952 -7.117 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.542 0.653 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.106 1.436 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.145 0.927 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.392 2.659 -4.742 1.00 0.00 H new ATOM 911 N LEU A 57 -6.134 2.098 -4.292 1.00 0.00 N ATOM 912 CA LEU A 57 -7.184 2.923 -3.707 1.00 0.00 C ATOM 913 C LEU A 57 -6.952 3.121 -2.212 1.00 0.00 C ATOM 914 O LEU A 57 -7.224 2.231 -1.407 1.00 0.00 O ATOM 915 CB LEU A 57 -8.553 2.282 -3.941 1.00 0.00 C ATOM 916 CG LEU A 57 -8.807 1.734 -5.346 1.00 0.00 C ATOM 917 CD1 LEU A 57 -9.940 0.721 -5.327 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.118 2.868 -6.312 1.00 0.00 C ATOM 0 H LEU A 57 -6.235 1.099 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.158 3.899 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.677 1.468 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.321 3.022 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.903 1.230 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.106 0.342 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.678 -0.106 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.850 1.200 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.296 2.460 -7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.007 3.401 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.274 3.557 -6.348 1.00 0.00 H new ATOM 930 N VAL A 58 -6.449 4.296 -1.848 1.00 0.00 N ATOM 931 CA VAL A 58 -6.183 4.614 -0.450 1.00 0.00 C ATOM 932 C VAL A 58 -7.413 5.216 0.221 1.00 0.00 C ATOM 933 O VAL A 58 -8.140 6.003 -0.386 1.00 0.00 O ATOM 934 CB VAL A 58 -5.004 5.595 -0.311 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.694 5.854 1.155 1.00 0.00 C ATOM 936 CG2 VAL A 58 -3.779 5.061 -1.038 1.00 0.00 C ATOM 0 H VAL A 58 -6.217 5.044 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.926 3.677 0.044 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.286 6.543 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.858 6.549 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.570 6.283 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.432 4.915 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.955 5.767 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.492 4.100 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.010 4.933 -2.095 1.00 0.00 H new ATOM 946 N TRP A 59 -7.639 4.842 1.475 1.00 0.00 N ATOM 947 CA TRP A 59 -8.781 5.346 2.228 1.00 0.00 C ATOM 948 C TRP A 59 -8.340 5.904 3.577 1.00 0.00 C ATOM 949 O TRP A 59 -8.255 5.173 4.563 1.00 0.00 O ATOM 950 CB TRP A 59 -9.812 4.235 2.434 1.00 0.00 C ATOM 951 CG TRP A 59 -10.511 3.831 1.171 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.552 4.476 0.568 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.219 2.689 0.358 1.00 0.00 C ATOM 954 NE1 TRP A 59 -11.926 3.804 -0.571 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.122 2.705 -0.722 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.281 1.657 0.436 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.114 1.728 -1.714 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.274 0.687 -0.548 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.185 0.728 -1.612 1.00 0.00 C ATOM 0 H TRP A 59 -7.047 4.192 1.991 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.236 6.153 1.654 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.316 3.363 2.861 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.553 4.567 3.161 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.014 5.382 0.933 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -12.679 4.079 -1.201 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.574 1.618 1.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -11.816 1.758 -2.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.554 -0.116 -0.496 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.153 -0.044 -2.366 1.00 0.00 H new ATOM 970 N GLY A 60 -8.062 7.203 3.613 1.00 0.00 N ATOM 971 CA GLY A 60 -7.633 7.836 4.846 1.00 0.00 C ATOM 972 C GLY A 60 -7.448 9.333 4.696 1.00 0.00 C ATOM 973 O GLY A 60 -8.126 9.972 3.891 1.00 0.00 O ATOM 0 H GLY A 60 -8.126 7.829 2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.369 7.640 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.695 7.388 5.173 1.00 0.00 H new ATOM 977 N LEU A 61 -6.528 9.895 5.473 1.00 0.00 N ATOM 978 CA LEU A 61 -6.257 11.327 5.424 1.00 0.00 C ATOM 979 C LEU A 61 -5.283 11.659 4.298 1.00 0.00 C ATOM 980 O LEU A 61 -5.276 12.774 3.778 1.00 0.00 O ATOM 981 CB LEU A 61 -5.689 11.805 6.762 1.00 0.00 C ATOM 982 CG LEU A 61 -6.587 11.603 7.983 1.00 0.00 C ATOM 983 CD1 LEU A 61 -6.804 10.121 8.247 1.00 0.00 C ATOM 984 CD2 LEU A 61 -5.987 12.282 9.205 1.00 0.00 C ATOM 0 H LEU A 61 -5.958 9.381 6.144 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.197 11.843 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.746 11.287 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.458 12.867 6.677 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.555 12.060 7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.445 9.997 9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.279 9.663 7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.844 9.640 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.640 12.128 10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.006 11.855 9.413 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.885 13.350 9.014 1.00 0.00 H new ATOM 996 N SER A 62 -4.463 10.681 3.925 1.00 0.00 N ATOM 997 CA SER A 62 -3.483 10.869 2.861 1.00 0.00 C ATOM 998 C SER A 62 -4.146 11.427 1.605 1.00 0.00 C ATOM 999 O SER A 62 -3.480 11.987 0.734 1.00 0.00 O ATOM 1000 CB SER A 62 -2.788 9.545 2.539 1.00 0.00 C ATOM 1001 OG SER A 62 -3.733 8.528 2.257 1.00 0.00 O ATOM 0 H SER A 62 -4.458 9.751 4.344 1.00 0.00 H new ATOM 0 HA SER A 62 -2.739 11.586 3.208 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.125 9.677 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.165 9.244 3.381 1.00 0.00 H new ATOM 0 HG SER A 62 -3.659 7.818 2.928 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.463 11.269 1.518 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.218 11.757 0.370 1.00 0.00 C ATOM 1009 C VAL A 63 -7.376 12.645 0.811 1.00 0.00 C ATOM 1010 O VAL A 63 -7.829 12.572 1.953 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.769 10.593 -0.475 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.633 9.819 -1.126 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.629 9.675 0.381 1.00 0.00 C ATOM 0 H VAL A 63 -6.029 10.807 2.229 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.528 12.342 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.394 11.006 -1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.043 9.001 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.063 10.485 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.978 9.415 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.010 8.858 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.029 9.269 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.465 10.240 0.794 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.852 13.483 -0.103 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.960 14.385 0.189 1.00 0.00 C ATOM 1025 C LYS A 64 -10.298 13.723 -0.123 1.00 0.00 C ATOM 1026 O LYS A 64 -11.271 13.890 0.612 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.818 15.678 -0.618 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.705 16.585 -0.124 1.00 0.00 C ATOM 1029 CD LYS A 64 -6.341 16.089 -0.574 1.00 0.00 C ATOM 1030 CE LYS A 64 -5.306 17.204 -0.547 1.00 0.00 C ATOM 1031 NZ LYS A 64 -5.337 18.019 -1.794 1.00 0.00 N ATOM 0 H LYS A 64 -7.488 13.557 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.932 14.622 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.633 15.426 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.761 16.223 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.866 17.597 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.733 16.638 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.017 15.274 0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.415 15.684 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.489 17.848 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.312 16.775 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.618 18.768 -1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.138 17.409 -2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.277 18.450 -1.904 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.339 12.969 -1.218 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.558 12.280 -1.625 1.00 0.00 C ATOM 1047 C HIS A 65 -11.258 10.839 -2.029 1.00 0.00 C ATOM 1048 O HIS A 65 -10.591 10.591 -3.032 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.223 13.019 -2.787 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.684 14.399 -2.433 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.117 14.914 -1.259 1.00 0.00 N flip ATOM 1052 CD2 HIS A 65 -12.736 15.432 -3.345 1.00 0.00 C flip ATOM 1053 CE1 HIS A 65 -13.419 16.235 -1.480 1.00 0.00 C flip ATOM 1054 NE2 HIS A 65 -13.180 16.523 -2.747 1.00 0.00 N flip ATOM 0 H HIS A 65 -9.543 12.820 -1.838 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.240 12.267 -0.775 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.520 13.082 -3.617 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.077 12.438 -3.136 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -13.203 14.414 -0.374 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.457 15.360 -4.386 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -13.791 16.926 -0.739 1.00 0.00 H new ATOM 1063 N ASN A 66 -11.755 9.893 -1.239 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.539 8.477 -1.513 1.00 0.00 C ATOM 1065 C ASN A 66 -12.840 7.799 -1.932 1.00 0.00 C ATOM 1066 O ASN A 66 -13.938 8.255 -1.610 1.00 0.00 O ATOM 1067 CB ASN A 66 -10.962 7.779 -0.280 1.00 0.00 C ATOM 1068 CG ASN A 66 -11.618 8.242 1.007 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -12.828 8.463 1.054 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -10.821 8.390 2.058 1.00 0.00 N ATOM 0 H ASN A 66 -12.310 10.081 -0.404 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.827 8.397 -2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.090 6.701 -0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.890 7.969 -0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.206 8.698 2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.823 8.195 1.973 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.717 6.683 -2.666 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.416 6.132 -3.055 1.00 0.00 C ATOM 1079 C PRO A 67 -10.700 7.003 -4.081 1.00 0.00 C ATOM 1080 O PRO A 67 -11.319 7.514 -5.014 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.774 4.774 -3.663 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.177 4.929 -4.138 1.00 0.00 C ATOM 1083 CD PRO A 67 -13.838 5.874 -3.173 1.00 0.00 C ATOM 0 HA PRO A 67 -10.731 6.069 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.104 4.519 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.692 3.976 -2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.204 5.325 -5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.691 3.968 -4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.589 6.492 -3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.343 5.339 -2.369 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.393 7.169 -3.901 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.594 7.979 -4.813 1.00 0.00 C ATOM 1093 C GLN A 68 -7.612 7.112 -5.594 1.00 0.00 C ATOM 1094 O GLN A 68 -6.842 6.348 -5.011 1.00 0.00 O ATOM 1095 CB GLN A 68 -7.836 9.058 -4.038 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.068 10.021 -4.929 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.773 11.341 -4.244 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.681 12.021 -3.765 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.499 11.711 -4.194 1.00 0.00 N ATOM 0 H GLN A 68 -8.866 6.754 -3.133 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.270 8.457 -5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.544 9.623 -3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.139 8.578 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.130 9.557 -5.235 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.643 10.207 -5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.779 11.116 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.240 12.590 -3.746 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.644 7.236 -6.916 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.757 6.464 -7.779 1.00 0.00 C ATOM 1110 C LYS A 69 -5.324 6.980 -7.685 1.00 0.00 C ATOM 1111 O LYS A 69 -5.045 8.132 -8.016 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.239 6.529 -9.230 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.588 5.496 -10.133 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.167 5.540 -11.538 1.00 0.00 C ATOM 1115 CE LYS A 69 -8.372 4.623 -11.673 1.00 0.00 C ATOM 1116 NZ LYS A 69 -9.314 5.096 -12.725 1.00 0.00 N ATOM 0 H LYS A 69 -8.275 7.864 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.775 5.427 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.320 6.389 -9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.038 7.524 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.513 5.674 -10.175 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.730 4.501 -9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.457 6.562 -11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.402 5.246 -12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.036 3.614 -11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.894 4.566 -10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.122 4.444 -12.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.655 6.048 -12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.824 5.126 -13.642 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.418 6.118 -7.233 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.014 6.485 -7.098 1.00 0.00 C ATOM 1132 C VAL A 70 -2.112 5.477 -7.801 1.00 0.00 C ATOM 1133 O VAL A 70 -2.566 4.418 -8.234 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.599 6.583 -5.618 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.540 7.507 -4.859 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.567 5.202 -4.981 1.00 0.00 C ATOM 0 H VAL A 70 -4.632 5.160 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.896 7.462 -7.566 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.595 7.005 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.231 7.564 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.508 8.503 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.556 7.118 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.272 5.290 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.557 4.750 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.849 4.574 -5.509 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.831 5.813 -7.912 1.00 0.00 N ATOM 1147 CA GLY A 71 0.116 4.927 -8.564 1.00 0.00 C ATOM 1148 C GLY A 71 1.112 4.326 -7.592 1.00 0.00 C ATOM 1149 O GLY A 71 0.743 3.904 -6.495 1.00 0.00 O ATOM 0 H GLY A 71 -0.431 6.684 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.427 4.126 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.653 5.479 -9.335 1.00 0.00 H new ATOM 1153 N LYS A 72 2.377 4.285 -7.994 1.00 0.00 N ATOM 1154 CA LYS A 72 3.431 3.731 -7.151 1.00 0.00 C ATOM 1155 C LYS A 72 4.261 4.842 -6.517 1.00 0.00 C ATOM 1156 O LYS A 72 5.086 4.589 -5.639 1.00 0.00 O ATOM 1157 CB LYS A 72 4.335 2.808 -7.971 1.00 0.00 C ATOM 1158 CG LYS A 72 4.990 3.495 -9.157 1.00 0.00 C ATOM 1159 CD LYS A 72 6.274 2.795 -9.568 1.00 0.00 C ATOM 1160 CE LYS A 72 7.162 3.705 -10.403 1.00 0.00 C ATOM 1161 NZ LYS A 72 6.839 3.616 -11.854 1.00 0.00 N ATOM 0 H LYS A 72 2.698 4.629 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 72 2.960 3.155 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.112 2.403 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.747 1.963 -8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.297 3.509 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.206 4.533 -8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.815 2.473 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.034 1.897 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.044 4.735 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.207 3.436 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.466 4.251 -12.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.976 2.638 -12.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.849 3.897 -12.007 1.00 0.00 H new ATOM 1175 N ASP A 73 4.036 6.072 -6.965 1.00 0.00 N ATOM 1176 CA ASP A 73 4.761 7.223 -6.439 1.00 0.00 C ATOM 1177 C ASP A 73 4.001 7.862 -5.282 1.00 0.00 C ATOM 1178 O ASP A 73 4.464 8.833 -4.682 1.00 0.00 O ATOM 1179 CB ASP A 73 4.994 8.254 -7.544 1.00 0.00 C ATOM 1180 CG ASP A 73 6.254 9.068 -7.321 1.00 0.00 C ATOM 1181 OD1 ASP A 73 6.277 9.878 -6.371 1.00 0.00 O ATOM 1182 OD2 ASP A 73 7.218 8.893 -8.096 1.00 0.00 O ATOM 0 H ASP A 73 3.357 6.298 -7.692 1.00 0.00 H new ATOM 0 HA ASP A 73 5.725 6.875 -6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.060 7.744 -8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.136 8.925 -7.598 1.00 0.00 H new ATOM 1187 N HIS A 74 2.831 7.312 -4.973 1.00 0.00 N ATOM 1188 CA HIS A 74 2.006 7.829 -3.887 1.00 0.00 C ATOM 1189 C HIS A 74 2.566 7.408 -2.532 1.00 0.00 C ATOM 1190 O HIS A 74 3.104 6.310 -2.384 1.00 0.00 O ATOM 1191 CB HIS A 74 0.566 7.335 -4.033 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.305 7.674 -2.863 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -1.178 8.741 -2.858 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.435 7.079 -1.654 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.806 8.789 -1.697 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.374 7.790 -0.948 1.00 0.00 N ATOM 0 H HIS A 74 2.433 6.509 -5.459 1.00 0.00 H new ATOM 0 HA HIS A 74 2.016 8.918 -3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.132 7.766 -4.935 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.574 6.253 -4.169 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.100 6.207 -1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.547 9.520 -1.409 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.687 7.581 0.000 1.00 0.00 H new ATOM 1205 N THR A 75 2.435 8.288 -1.544 1.00 0.00 N ATOM 1206 CA THR A 75 2.929 8.009 -0.201 1.00 0.00 C ATOM 1207 C THR A 75 1.819 7.468 0.692 1.00 0.00 C ATOM 1208 O THR A 75 0.725 8.030 0.749 1.00 0.00 O ATOM 1209 CB THR A 75 3.529 9.269 0.450 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.512 9.847 -0.415 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.160 8.936 1.793 1.00 0.00 C ATOM 0 H THR A 75 1.991 9.200 -1.649 1.00 0.00 H new ATOM 0 HA THR A 75 3.710 7.255 -0.302 1.00 0.00 H new ATOM 0 HB THR A 75 2.724 9.985 0.613 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.887 10.649 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.577 9.842 2.234 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.402 8.524 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.954 8.203 1.650 1.00 0.00 H new ATOM 1219 N LEU A 76 2.107 6.374 1.388 1.00 0.00 N ATOM 1220 CA LEU A 76 1.131 5.757 2.281 1.00 0.00 C ATOM 1221 C LEU A 76 1.146 6.427 3.651 1.00 0.00 C ATOM 1222 O LEU A 76 2.074 7.165 3.981 1.00 0.00 O ATOM 1223 CB LEU A 76 1.421 4.262 2.429 1.00 0.00 C ATOM 1224 CG LEU A 76 1.159 3.401 1.192 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.973 2.118 1.252 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.325 3.089 1.065 1.00 0.00 C ATOM 0 H LEU A 76 3.007 5.896 1.352 1.00 0.00 H new ATOM 0 HA LEU A 76 0.141 5.888 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.466 4.142 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.818 3.875 3.251 1.00 0.00 H new ATOM 0 HG LEU A 76 1.469 3.962 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.773 1.519 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.034 2.362 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.695 1.552 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.493 2.476 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.660 2.548 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.886 4.019 0.974 1.00 0.00 H new ATOM 1238 N GLU A 77 0.112 6.164 4.444 1.00 0.00 N ATOM 1239 CA GLU A 77 0.008 6.741 5.779 1.00 0.00 C ATOM 1240 C GLU A 77 -0.302 5.665 6.815 1.00 0.00 C ATOM 1241 O GLU A 77 -0.696 4.551 6.469 1.00 0.00 O ATOM 1242 CB GLU A 77 -1.077 7.820 5.808 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.578 9.195 5.396 1.00 0.00 C ATOM 1244 CD GLU A 77 0.220 9.879 6.489 1.00 0.00 C ATOM 1245 OE1 GLU A 77 1.332 9.401 6.798 1.00 0.00 O ATOM 1246 OE2 GLU A 77 -0.267 10.890 7.036 1.00 0.00 O ATOM 0 H GLU A 77 -0.665 5.556 4.185 1.00 0.00 H new ATOM 0 HA GLU A 77 0.968 7.193 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.890 7.524 5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.492 7.880 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.042 9.100 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.429 9.821 5.127 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.121 6.006 8.086 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.382 5.070 9.173 1.00 0.00 C ATOM 1255 C ASP A 78 -1.874 4.778 9.293 1.00 0.00 C ATOM 1256 O ASP A 78 -2.707 5.657 9.073 1.00 0.00 O ATOM 1257 CB ASP A 78 0.150 5.628 10.494 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.619 6.850 10.957 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -1.696 6.679 11.565 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -0.143 7.978 10.711 1.00 0.00 O ATOM 0 H ASP A 78 0.205 6.924 8.389 1.00 0.00 H new ATOM 0 HA ASP A 78 0.135 4.137 8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.094 4.855 11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.203 5.887 10.378 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.204 3.538 9.643 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.596 3.132 9.790 1.00 0.00 C ATOM 1267 C GLU A 79 -4.401 3.485 8.543 1.00 0.00 C ATOM 1268 O GLU A 79 -5.518 3.994 8.635 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.219 3.799 11.018 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.717 3.236 12.337 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.468 1.990 12.763 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -5.686 1.911 12.495 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -3.840 1.094 13.364 1.00 0.00 O ATOM 0 H GLU A 79 -1.527 2.799 9.830 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.619 2.050 9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.009 4.868 10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.302 3.685 10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.656 3.003 12.248 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.813 3.996 13.112 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.825 3.212 7.377 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.488 3.501 6.111 1.00 0.00 C ATOM 1282 C ASP A 80 -4.747 2.217 5.329 1.00 0.00 C ATOM 1283 O ASP A 80 -3.947 1.282 5.366 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.640 4.460 5.274 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.475 5.279 4.309 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -5.685 4.996 4.184 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.918 6.202 3.678 1.00 0.00 O ATOM 0 H ASP A 80 -2.901 2.791 7.283 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.446 3.972 6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.094 5.131 5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.898 3.891 4.715 1.00 0.00 H new ATOM 1292 N VAL A 81 -5.871 2.178 4.621 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.237 1.009 3.829 1.00 0.00 C ATOM 1294 C VAL A 81 -5.936 1.230 2.351 1.00 0.00 C ATOM 1295 O VAL A 81 -6.123 2.329 1.827 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.729 0.665 3.993 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.100 -0.529 3.126 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.057 0.396 5.454 1.00 0.00 C ATOM 0 H VAL A 81 -6.545 2.943 4.579 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.638 0.177 4.198 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.319 1.520 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.158 -0.758 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.904 -0.294 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.504 -1.392 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.116 0.155 5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.459 -0.442 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.831 1.282 6.047 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.470 0.180 1.684 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.145 0.260 0.266 1.00 0.00 C ATOM 1310 C ILE A 82 -5.751 -0.909 -0.504 1.00 0.00 C ATOM 1311 O ILE A 82 -6.054 -1.953 0.073 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.622 0.275 0.037 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.308 0.555 -1.434 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -3.007 -1.047 0.473 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.829 0.678 -1.724 1.00 0.00 C ATOM 0 H ILE A 82 -5.309 -0.736 2.103 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.569 1.194 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.187 1.072 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.724 -0.246 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.807 1.477 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.930 -1.020 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.205 -1.208 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.445 -1.860 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.682 0.876 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.411 1.498 -1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.327 -0.252 -1.455 1.00 0.00 H new ATOM 1327 N GLN A 83 -5.925 -0.726 -1.808 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.494 -1.766 -2.657 1.00 0.00 C ATOM 1329 C GLN A 83 -5.609 -2.022 -3.872 1.00 0.00 C ATOM 1330 O GLN A 83 -5.675 -1.296 -4.864 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.901 -1.371 -3.110 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.489 -2.306 -4.154 1.00 0.00 C ATOM 1333 CD GLN A 83 -8.752 -3.696 -3.611 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -9.626 -3.889 -2.765 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -7.995 -4.674 -4.094 1.00 0.00 N ATOM 0 H GLN A 83 -5.680 0.133 -2.300 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.552 -2.685 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.560 -1.348 -2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.873 -0.359 -3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.421 -1.884 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.806 -2.374 -5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.282 -4.469 -4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.126 -5.630 -3.765 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.782 -3.059 -3.787 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.884 -3.411 -4.880 1.00 0.00 C ATOM 1346 C ILE A 84 -4.652 -4.028 -6.044 1.00 0.00 C ATOM 1347 O ILE A 84 -5.179 -5.135 -5.938 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.794 -4.396 -4.419 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.775 -3.683 -3.528 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -2.106 -5.026 -5.620 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.202 -2.429 -4.149 1.00 0.00 C ATOM 0 H ILE A 84 -4.715 -3.670 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.410 -2.486 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.265 -5.189 -3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.250 -3.425 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.960 -4.370 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.338 -5.720 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.840 -5.565 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.645 -4.246 -6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.487 -1.976 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.698 -2.682 -5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.007 -1.723 -4.352 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.709 -3.304 -7.158 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.409 -3.781 -8.344 1.00 0.00 C ATOM 1365 C VAL A 85 -4.427 -4.184 -9.438 1.00 0.00 C ATOM 1366 O VAL A 85 -3.441 -3.490 -9.689 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.367 -2.710 -8.899 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -6.816 -3.072 -10.307 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -7.565 -2.537 -7.977 1.00 0.00 C ATOM 0 H VAL A 85 -4.279 -2.385 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.987 -4.653 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.834 -1.761 -8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.492 -2.304 -10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.946 -3.140 -10.960 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.332 -4.032 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.231 -1.777 -8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.101 -3.483 -7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.222 -2.228 -6.990 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.701 -5.310 -10.088 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.843 -5.806 -11.157 1.00 0.00 C ATOM 1381 C LYS A 86 -4.532 -5.677 -12.512 1.00 0.00 C ATOM 1382 O LYS A 86 -5.691 -6.061 -12.669 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.467 -7.267 -10.900 1.00 0.00 C ATOM 1384 CG LYS A 86 -2.722 -7.483 -9.595 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.710 -8.949 -9.196 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.178 -9.138 -7.783 1.00 0.00 C ATOM 1387 NZ LYS A 86 -3.209 -8.822 -6.756 1.00 0.00 N ATOM 0 H LYS A 86 -5.512 -5.897 -9.893 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.936 -5.201 -11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.374 -7.871 -10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.850 -7.625 -11.724 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.698 -7.124 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.190 -6.894 -8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.720 -9.354 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.094 -9.513 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.842 -10.167 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.308 -8.498 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.808 -8.963 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.511 -7.832 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.029 -9.450 -6.882 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.812 -5.136 -13.488 1.00 0.00 N ATOM 1402 CA LYS A 87 -4.352 -4.959 -14.831 1.00 0.00 C ATOM 1403 C LYS A 87 -5.171 -6.175 -15.252 1.00 0.00 C ATOM 1404 O LYS A 87 -4.803 -7.314 -14.963 1.00 0.00 O ATOM 1405 CB LYS A 87 -3.218 -4.723 -15.832 1.00 0.00 C ATOM 1406 CG LYS A 87 -2.550 -3.367 -15.685 1.00 0.00 C ATOM 1407 CD LYS A 87 -1.278 -3.280 -16.511 1.00 0.00 C ATOM 1408 CE LYS A 87 -0.979 -1.847 -16.925 1.00 0.00 C ATOM 1409 NZ LYS A 87 0.210 -1.764 -17.818 1.00 0.00 N ATOM 0 H LYS A 87 -2.852 -4.812 -13.374 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.007 -4.087 -14.821 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.467 -5.504 -15.709 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.612 -4.817 -16.844 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.241 -2.584 -15.996 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.317 -3.187 -14.636 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.441 -3.676 -15.935 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.377 -3.904 -17.400 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.846 -1.428 -17.435 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.808 -1.240 -16.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.381 -0.771 -18.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.043 -2.140 -17.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.038 -2.322 -18.678 1.00 0.00 H new ATOM 1423 N SER A 88 -6.283 -5.926 -15.937 1.00 0.00 N ATOM 1424 CA SER A 88 -7.155 -7.000 -16.396 1.00 0.00 C ATOM 1425 C SER A 88 -7.561 -6.786 -17.851 1.00 0.00 C ATOM 1426 O SER A 88 -8.032 -5.712 -18.224 1.00 0.00 O ATOM 1427 CB SER A 88 -8.402 -7.085 -15.514 1.00 0.00 C ATOM 1428 OG SER A 88 -8.082 -7.575 -14.223 1.00 0.00 O ATOM 0 H SER A 88 -6.601 -4.989 -16.186 1.00 0.00 H new ATOM 0 HA SER A 88 -6.604 -7.938 -16.325 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.859 -6.099 -15.429 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.138 -7.738 -15.982 1.00 0.00 H new ATOM 0 HG SER A 88 -7.347 -7.048 -13.846 1.00 0.00 H new ATOM 1434 N GLY A 89 -7.375 -7.818 -18.668 1.00 0.00 N ATOM 1435 CA GLY A 89 -7.726 -7.724 -20.073 1.00 0.00 C ATOM 1436 C GLY A 89 -8.598 -8.876 -20.531 1.00 0.00 C ATOM 1437 O GLY A 89 -9.198 -9.587 -19.725 1.00 0.00 O ATOM 0 H GLY A 89 -6.988 -8.717 -18.382 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.248 -6.784 -20.252 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.815 -7.702 -20.671 1.00 0.00 H new ATOM 1441 N PRO A 90 -8.679 -9.072 -21.856 1.00 0.00 N ATOM 1442 CA PRO A 90 -9.483 -10.144 -22.450 1.00 0.00 C ATOM 1443 C PRO A 90 -8.896 -11.525 -22.182 1.00 0.00 C ATOM 1444 O PRO A 90 -9.629 -12.494 -21.983 1.00 0.00 O ATOM 1445 CB PRO A 90 -9.445 -9.828 -23.947 1.00 0.00 C ATOM 1446 CG PRO A 90 -8.187 -9.054 -24.139 1.00 0.00 C ATOM 1447 CD PRO A 90 -7.990 -8.263 -22.875 1.00 0.00 C ATOM 0 HA PRO A 90 -10.490 -10.177 -22.033 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.444 -10.740 -24.544 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -10.317 -9.249 -24.252 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.343 -9.720 -24.318 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.262 -8.395 -25.004 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.933 -8.137 -22.641 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.421 -7.265 -22.954 1.00 0.00 H new ATOM 1455 N SER A 91 -7.569 -11.609 -22.178 1.00 0.00 N ATOM 1456 CA SER A 91 -6.883 -12.873 -21.938 1.00 0.00 C ATOM 1457 C SER A 91 -5.392 -12.647 -21.706 1.00 0.00 C ATOM 1458 O SER A 91 -4.741 -11.918 -22.454 1.00 0.00 O ATOM 1459 CB SER A 91 -7.090 -13.822 -23.120 1.00 0.00 C ATOM 1460 OG SER A 91 -6.787 -15.159 -22.759 1.00 0.00 O ATOM 0 H SER A 91 -6.948 -10.816 -22.338 1.00 0.00 H new ATOM 0 HA SER A 91 -7.307 -13.324 -21.041 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.122 -13.760 -23.464 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.457 -13.514 -23.953 1.00 0.00 H new ATOM 0 HG SER A 91 -6.929 -15.746 -23.531 1.00 0.00 H new ATOM 1466 N SER A 92 -4.859 -13.278 -20.665 1.00 0.00 N ATOM 1467 CA SER A 92 -3.446 -13.144 -20.331 1.00 0.00 C ATOM 1468 C SER A 92 -2.654 -14.350 -20.826 1.00 0.00 C ATOM 1469 O SER A 92 -3.124 -15.485 -20.761 1.00 0.00 O ATOM 1470 CB SER A 92 -3.270 -12.989 -18.820 1.00 0.00 C ATOM 1471 OG SER A 92 -1.898 -12.930 -18.470 1.00 0.00 O ATOM 0 H SER A 92 -5.384 -13.887 -20.038 1.00 0.00 H new ATOM 0 HA SER A 92 -3.064 -12.252 -20.827 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.774 -12.083 -18.483 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.744 -13.826 -18.308 1.00 0.00 H new ATOM 0 HG SER A 92 -1.812 -12.829 -17.499 1.00 0.00 H new ATOM 1477 N GLY A 93 -1.447 -14.095 -21.323 1.00 0.00 N ATOM 1478 CA GLY A 93 -0.608 -15.169 -21.822 1.00 0.00 C ATOM 1479 C GLY A 93 0.192 -14.759 -23.043 1.00 0.00 C ATOM 1480 O GLY A 93 0.708 -13.644 -23.110 1.00 0.00 O ATOM 0 H GLY A 93 -1.036 -13.164 -21.389 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.075 -15.489 -21.035 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.232 -16.027 -22.071 1.00 0.00 H new TER 1484 GLY A 93