USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 36 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 113 TYR OH : rot 151:sc= 0.226 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -148:sc= -0.278 (180deg=-1.18) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.21! USER MOD Single : A 22 GLN : amide:sc= -7.86! C(o=-7.9!,f=-8.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -122:sc= -0.304 (180deg=-0.57) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0945 F(o=-1.5,f=-0.094) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.67! C(o=-5.7!,f=-8.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -99:sc= -6.47! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= -4.4! (180deg=-8.47!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.684 X(o=-0.68,f=-0.93) USER MOD Single : A 58 THR OG1 : rot -31:sc= -1.35! USER MOD Single : A 59 ASN : amide:sc= -2.03 X(o=-2,f=-1.7!) USER MOD Single : A 60 TYR OH : rot 180:sc= -4.52! USER MOD Single : A 61 TYR OH : rot 32:sc= -3.11! USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= -2! (180deg=-2.46!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -155:sc= -3.46! (180deg=-6.79!) USER MOD Single : A 96 HIS : no HD1:sc= -19.8! C(o=-20!,f=-20!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot -160:sc= -4 USER MOD Single : A 114 GLN : amide:sc= -8.09! C(o=-8.1!,f=-11!) USER MOD Single : A 116 LYS NZ :NH3+ -170:sc= 0.00921 (180deg=0.00262) USER MOD Single : A 117 ASN : amide:sc= -2.16 K(o=-2.2,f=-3!) USER MOD Single : A 118 LYS NZ :NH3+ -154:sc= -0.0592 (180deg=-0.636) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0353 USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 11 -8.600 0.292 11.763 1.00 0.00 N ATOM 68 CA LEU A 11 -7.385 -0.531 11.531 1.00 0.00 C ATOM 69 C LEU A 11 -7.505 -1.875 12.239 1.00 0.00 C ATOM 70 O LEU A 11 -7.696 -1.961 13.435 1.00 0.00 O ATOM 71 CB LEU A 11 -6.161 0.221 12.034 1.00 0.00 C ATOM 72 CG LEU A 11 -5.782 1.231 10.964 1.00 0.00 C ATOM 73 CD1 LEU A 11 -5.921 2.649 11.521 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.338 0.997 10.511 1.00 0.00 C ATOM 0 HA LEU A 11 -7.281 -0.718 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.379 0.723 12.977 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.337 -0.467 12.222 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.448 1.110 10.110 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.648 3.371 10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.953 2.819 11.829 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.261 2.769 12.380 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.075 1.725 9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.667 1.108 11.363 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.243 -0.009 10.103 1.00 0.00 H new ATOM 86 N SER A 12 -7.402 -2.922 11.479 1.00 0.00 N ATOM 87 CA SER A 12 -7.511 -4.297 12.053 1.00 0.00 C ATOM 88 C SER A 12 -6.121 -4.925 12.200 1.00 0.00 C ATOM 89 O SER A 12 -5.119 -4.322 11.879 1.00 0.00 O ATOM 90 CB SER A 12 -8.354 -5.158 11.112 1.00 0.00 C ATOM 91 OG SER A 12 -9.316 -5.881 11.868 1.00 0.00 O ATOM 0 H SER A 12 -7.245 -2.890 10.472 1.00 0.00 H new ATOM 0 HA SER A 12 -7.977 -4.240 13.036 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.853 -4.529 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.714 -5.848 10.562 1.00 0.00 H new ATOM 0 HG SER A 12 -9.858 -6.432 11.266 1.00 0.00 H new ATOM 97 N GLU A 13 -6.054 -6.142 12.665 1.00 0.00 N ATOM 98 CA GLU A 13 -4.753 -6.814 12.810 1.00 0.00 C ATOM 99 C GLU A 13 -4.075 -6.879 11.437 1.00 0.00 C ATOM 100 O GLU A 13 -4.704 -7.203 10.453 1.00 0.00 O ATOM 101 CB GLU A 13 -4.969 -8.235 13.333 1.00 0.00 C ATOM 102 CG GLU A 13 -6.201 -8.307 14.246 1.00 0.00 C ATOM 103 CD GLU A 13 -6.198 -7.121 15.212 1.00 0.00 C ATOM 104 OE1 GLU A 13 -5.168 -6.479 15.328 1.00 0.00 O ATOM 105 OE2 GLU A 13 -7.227 -6.877 15.821 1.00 0.00 O ATOM 0 H GLU A 13 -6.860 -6.697 12.951 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.127 -6.261 13.511 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.094 -8.919 12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.086 -8.562 13.882 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.111 -8.297 13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.197 -9.243 14.804 1.00 0.00 H new ATOM 112 N ALA A 14 -2.807 -6.567 11.359 1.00 0.00 N ATOM 113 CA ALA A 14 -2.104 -6.602 10.037 1.00 0.00 C ATOM 114 C ALA A 14 -2.558 -7.792 9.213 1.00 0.00 C ATOM 115 O ALA A 14 -2.181 -8.916 9.477 1.00 0.00 O ATOM 116 CB ALA A 14 -0.592 -6.749 10.220 1.00 0.00 C ATOM 0 H ALA A 14 -2.227 -6.290 12.151 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.344 -5.665 9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.108 -6.772 9.244 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.211 -5.905 10.794 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.378 -7.676 10.752 1.00 0.00 H new ATOM 122 N LYS A 15 -3.293 -7.565 8.168 1.00 0.00 N ATOM 123 CA LYS A 15 -3.656 -8.711 7.312 1.00 0.00 C ATOM 124 C LYS A 15 -2.414 -8.943 6.467 1.00 0.00 C ATOM 125 O LYS A 15 -1.873 -8.007 5.921 1.00 0.00 O ATOM 126 CB LYS A 15 -4.857 -8.371 6.427 1.00 0.00 C ATOM 127 CG LYS A 15 -6.137 -8.906 7.075 1.00 0.00 C ATOM 128 CD LYS A 15 -6.352 -8.230 8.431 1.00 0.00 C ATOM 129 CE LYS A 15 -6.010 -9.214 9.555 1.00 0.00 C ATOM 130 NZ LYS A 15 -6.902 -10.404 9.465 1.00 0.00 N ATOM 0 H LYS A 15 -3.650 -6.655 7.876 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.945 -9.590 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.929 -7.292 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.728 -8.808 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.991 -8.717 6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.067 -9.986 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.726 -7.341 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.387 -7.900 8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.967 -9.522 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.129 -8.730 10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.080 -10.777 10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.804 -10.129 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.445 -11.137 8.886 1.00 0.00 H new ATOM 144 N PRO A 16 -1.952 -10.151 6.409 1.00 0.00 N ATOM 145 CA PRO A 16 -0.725 -10.442 5.669 1.00 0.00 C ATOM 146 C PRO A 16 -0.963 -10.193 4.177 1.00 0.00 C ATOM 147 O PRO A 16 -1.939 -10.645 3.611 1.00 0.00 O ATOM 148 CB PRO A 16 -0.438 -11.912 6.002 1.00 0.00 C ATOM 149 CG PRO A 16 -1.782 -12.511 6.479 1.00 0.00 C ATOM 150 CD PRO A 16 -2.608 -11.324 7.013 1.00 0.00 C ATOM 0 HA PRO A 16 0.126 -9.814 5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.062 -12.444 5.128 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.323 -11.995 6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.300 -13.010 5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.623 -13.257 7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.654 -11.397 6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.589 -11.279 8.102 1.00 0.00 H new ATOM 158 N ALA A 17 -0.107 -9.434 3.547 1.00 0.00 N ATOM 159 CA ALA A 17 -0.320 -9.106 2.110 1.00 0.00 C ATOM 160 C ALA A 17 -0.757 -10.321 1.298 1.00 0.00 C ATOM 161 O ALA A 17 -0.615 -11.461 1.696 1.00 0.00 O ATOM 162 CB ALA A 17 0.956 -8.548 1.492 1.00 0.00 C ATOM 0 H ALA A 17 0.730 -9.028 3.966 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.115 -8.361 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.780 -8.315 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.250 -7.641 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.752 -9.288 1.570 1.00 0.00 H new ATOM 168 N THR A 18 -1.268 -10.044 0.135 1.00 0.00 N ATOM 169 CA THR A 18 -1.729 -11.092 -0.808 1.00 0.00 C ATOM 170 C THR A 18 -1.424 -10.554 -2.204 1.00 0.00 C ATOM 171 O THR A 18 -0.727 -9.568 -2.313 1.00 0.00 O ATOM 172 CB THR A 18 -3.240 -11.316 -0.634 1.00 0.00 C ATOM 173 OG1 THR A 18 -3.955 -10.512 -1.551 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.669 -10.927 0.766 1.00 0.00 C ATOM 0 H THR A 18 -1.389 -9.093 -0.213 1.00 0.00 H new ATOM 0 HA THR A 18 -1.235 -12.048 -0.635 1.00 0.00 H new ATOM 0 HB THR A 18 -3.451 -12.371 -0.810 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.917 -10.661 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.741 -11.090 0.877 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.132 -11.536 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.443 -9.874 0.937 1.00 0.00 H new ATOM 182 N PRO A 19 -1.941 -11.157 -3.241 1.00 0.00 N ATOM 183 CA PRO A 19 -1.686 -10.644 -4.589 1.00 0.00 C ATOM 184 C PRO A 19 -2.462 -9.338 -4.788 1.00 0.00 C ATOM 185 O PRO A 19 -2.151 -8.537 -5.650 1.00 0.00 O ATOM 186 CB PRO A 19 -2.165 -11.771 -5.509 1.00 0.00 C ATOM 187 CG PRO A 19 -3.145 -12.627 -4.677 1.00 0.00 C ATOM 188 CD PRO A 19 -2.806 -12.364 -3.197 1.00 0.00 C ATOM 0 HA PRO A 19 -0.643 -10.399 -4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.657 -11.367 -6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.325 -12.371 -5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.178 -12.354 -4.893 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.037 -13.685 -4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.705 -12.191 -2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.288 -13.212 -2.749 1.00 0.00 H new ATOM 196 N GLU A 20 -3.446 -9.093 -3.964 1.00 0.00 N ATOM 197 CA GLU A 20 -4.213 -7.824 -4.092 1.00 0.00 C ATOM 198 C GLU A 20 -3.454 -6.724 -3.366 1.00 0.00 C ATOM 199 O GLU A 20 -3.272 -5.636 -3.873 1.00 0.00 O ATOM 200 CB GLU A 20 -5.600 -7.995 -3.474 1.00 0.00 C ATOM 201 CG GLU A 20 -6.383 -6.687 -3.604 1.00 0.00 C ATOM 202 CD GLU A 20 -7.671 -6.776 -2.785 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.230 -7.857 -2.714 1.00 0.00 O ATOM 204 OE2 GLU A 20 -8.076 -5.761 -2.242 1.00 0.00 O ATOM 0 H GLU A 20 -3.749 -9.713 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.329 -7.562 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.135 -8.802 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.510 -8.274 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.776 -5.852 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.618 -6.495 -4.651 1.00 0.00 H new ATOM 211 N ILE A 21 -2.984 -7.017 -2.192 1.00 0.00 N ATOM 212 CA ILE A 21 -2.198 -6.020 -1.429 1.00 0.00 C ATOM 213 C ILE A 21 -1.011 -5.629 -2.294 1.00 0.00 C ATOM 214 O ILE A 21 -0.791 -4.476 -2.604 1.00 0.00 O ATOM 215 CB ILE A 21 -1.725 -6.693 -0.139 1.00 0.00 C ATOM 216 CG1 ILE A 21 -2.896 -7.476 0.474 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.226 -5.644 0.856 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.197 -6.688 0.318 1.00 0.00 C ATOM 0 H ILE A 21 -3.113 -7.914 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.779 -5.132 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.903 -7.372 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.989 -8.446 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.702 -7.667 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.893 -6.138 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.394 -5.093 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.035 -4.953 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.020 -7.253 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.104 -5.728 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.396 -6.520 -0.740 1.00 0.00 H new ATOM 230 N GLN A 22 -0.269 -6.608 -2.712 1.00 0.00 N ATOM 231 CA GLN A 22 0.897 -6.340 -3.601 1.00 0.00 C ATOM 232 C GLN A 22 0.383 -5.682 -4.886 1.00 0.00 C ATOM 233 O GLN A 22 1.120 -5.038 -5.593 1.00 0.00 O ATOM 234 CB GLN A 22 1.623 -7.657 -3.925 1.00 0.00 C ATOM 235 CG GLN A 22 2.473 -7.518 -5.201 1.00 0.00 C ATOM 236 CD GLN A 22 3.800 -6.813 -4.884 1.00 0.00 C ATOM 237 OE1 GLN A 22 4.740 -7.442 -4.439 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.922 -5.527 -5.102 1.00 0.00 N ATOM 0 H GLN A 22 -0.417 -7.590 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 22 1.604 -5.675 -3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.261 -7.940 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.893 -8.456 -4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.669 -8.503 -5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.923 -6.952 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.135 -4.996 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.804 -5.057 -4.898 1.00 0.00 H new ATOM 247 N GLU A 23 -0.876 -5.836 -5.200 1.00 0.00 N ATOM 248 CA GLU A 23 -1.398 -5.189 -6.438 1.00 0.00 C ATOM 249 C GLU A 23 -1.525 -3.682 -6.200 1.00 0.00 C ATOM 250 O GLU A 23 -1.264 -2.883 -7.072 1.00 0.00 O ATOM 251 CB GLU A 23 -2.770 -5.771 -6.787 1.00 0.00 C ATOM 252 CG GLU A 23 -3.149 -5.375 -8.214 1.00 0.00 C ATOM 253 CD GLU A 23 -3.920 -4.053 -8.193 1.00 0.00 C ATOM 254 OE1 GLU A 23 -4.344 -3.654 -7.121 1.00 0.00 O ATOM 255 OE2 GLU A 23 -4.074 -3.466 -9.250 1.00 0.00 O ATOM 0 H GLU A 23 -1.556 -6.373 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.712 -5.375 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.750 -6.857 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.520 -5.405 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.252 -5.275 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.758 -6.156 -8.669 1.00 0.00 H new ATOM 262 N ILE A 24 -1.908 -3.302 -5.015 1.00 0.00 N ATOM 263 CA ILE A 24 -2.048 -1.855 -4.670 1.00 0.00 C ATOM 264 C ILE A 24 -0.676 -1.205 -4.702 1.00 0.00 C ATOM 265 O ILE A 24 -0.462 -0.178 -5.317 1.00 0.00 O ATOM 266 CB ILE A 24 -2.609 -1.761 -3.251 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.087 -2.144 -3.253 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.460 -0.338 -2.726 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.355 -3.095 -2.086 1.00 0.00 C ATOM 0 H ILE A 24 -2.135 -3.943 -4.255 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.708 -1.354 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.055 -2.445 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.707 -1.252 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.351 -2.622 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.862 -0.279 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.405 -0.063 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.006 0.348 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.409 -3.374 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.743 -3.990 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.105 -2.599 -1.148 1.00 0.00 H new ATOM 281 N VAL A 25 0.248 -1.803 -4.029 1.00 0.00 N ATOM 282 CA VAL A 25 1.617 -1.263 -3.978 1.00 0.00 C ATOM 283 C VAL A 25 2.238 -1.311 -5.362 1.00 0.00 C ATOM 284 O VAL A 25 2.929 -0.413 -5.788 1.00 0.00 O ATOM 285 CB VAL A 25 2.414 -2.162 -3.084 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.390 -3.539 -3.683 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.840 -1.678 -3.042 1.00 0.00 C ATOM 0 H VAL A 25 0.108 -2.664 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 25 1.605 -0.234 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 25 1.999 -2.167 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.963 -4.220 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.360 -3.888 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.829 -3.510 -4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.426 -2.328 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.260 -1.696 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.867 -0.659 -2.655 1.00 0.00 H new ATOM 297 N ASP A 26 1.994 -2.380 -6.053 1.00 0.00 N ATOM 298 CA ASP A 26 2.555 -2.546 -7.421 1.00 0.00 C ATOM 299 C ASP A 26 1.845 -1.573 -8.342 1.00 0.00 C ATOM 300 O ASP A 26 2.314 -1.250 -9.416 1.00 0.00 O ATOM 301 CB ASP A 26 2.319 -3.977 -7.910 1.00 0.00 C ATOM 302 CG ASP A 26 2.839 -4.119 -9.341 1.00 0.00 C ATOM 303 OD1 ASP A 26 4.046 -4.113 -9.516 1.00 0.00 O ATOM 304 OD2 ASP A 26 2.021 -4.234 -10.239 1.00 0.00 O ATOM 0 H ASP A 26 1.422 -3.159 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 26 3.627 -2.351 -7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.827 -4.685 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.256 -4.215 -7.873 1.00 0.00 H new ATOM 309 N LYS A 27 0.717 -1.093 -7.915 1.00 0.00 N ATOM 310 CA LYS A 27 -0.028 -0.115 -8.764 1.00 0.00 C ATOM 311 C LYS A 27 0.436 1.293 -8.405 1.00 0.00 C ATOM 312 O LYS A 27 0.233 2.234 -9.142 1.00 0.00 O ATOM 313 CB LYS A 27 -1.538 -0.233 -8.529 1.00 0.00 C ATOM 314 CG LYS A 27 -2.264 -0.178 -9.876 1.00 0.00 C ATOM 315 CD LYS A 27 -3.588 0.572 -9.716 1.00 0.00 C ATOM 316 CE LYS A 27 -4.729 -0.435 -9.584 1.00 0.00 C ATOM 317 NZ LYS A 27 -5.712 -0.226 -10.685 1.00 0.00 N ATOM 0 H LYS A 27 0.277 -1.328 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 27 0.172 -0.325 -9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.766 -1.168 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.882 0.576 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.639 0.321 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.449 -1.188 -10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.551 1.214 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.758 1.220 -10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.336 -1.451 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.220 -0.319 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.488 -0.913 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.096 0.739 -10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.240 -0.358 -11.602 1.00 0.00 H new ATOM 331 N VAL A 28 1.058 1.437 -7.270 1.00 0.00 N ATOM 332 CA VAL A 28 1.540 2.783 -6.850 1.00 0.00 C ATOM 333 C VAL A 28 3.071 2.857 -6.962 1.00 0.00 C ATOM 334 O VAL A 28 3.652 3.915 -6.843 1.00 0.00 O ATOM 335 CB VAL A 28 1.107 3.042 -5.409 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.422 3.065 -5.339 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.637 1.927 -4.511 1.00 0.00 C ATOM 0 H VAL A 28 1.254 0.681 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 28 1.109 3.542 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 28 1.505 4.000 -5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.736 3.250 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.804 3.857 -5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.816 2.105 -5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.328 2.111 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.236 0.970 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.725 1.903 -4.565 1.00 0.00 H new ATOM 347 N LYS A 29 3.731 1.749 -7.204 1.00 0.00 N ATOM 348 CA LYS A 29 5.216 1.777 -7.338 1.00 0.00 C ATOM 349 C LYS A 29 5.637 2.927 -8.266 1.00 0.00 C ATOM 350 O LYS A 29 6.539 3.669 -7.932 1.00 0.00 O ATOM 351 CB LYS A 29 5.714 0.440 -7.900 1.00 0.00 C ATOM 352 CG LYS A 29 7.225 0.511 -8.142 1.00 0.00 C ATOM 353 CD LYS A 29 7.589 -0.318 -9.378 1.00 0.00 C ATOM 354 CE LYS A 29 7.415 -1.808 -9.070 1.00 0.00 C ATOM 355 NZ LYS A 29 6.093 -2.271 -9.580 1.00 0.00 N ATOM 0 H LYS A 29 3.303 0.830 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 29 5.659 1.936 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.485 -0.366 -7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.197 0.211 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.532 1.547 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.761 0.136 -7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.955 -0.034 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.619 -0.116 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.217 -2.382 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.482 -1.978 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.537 -2.666 -8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.581 -1.467 -9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.237 -3.003 -10.305 1.00 0.00 H new ATOM 369 N PRO A 30 4.976 3.069 -9.397 1.00 0.00 N ATOM 370 CA PRO A 30 5.296 4.151 -10.343 1.00 0.00 C ATOM 371 C PRO A 30 4.784 5.476 -9.779 1.00 0.00 C ATOM 372 O PRO A 30 5.353 6.526 -10.004 1.00 0.00 O ATOM 373 CB PRO A 30 4.566 3.752 -11.626 1.00 0.00 C ATOM 374 CG PRO A 30 3.443 2.778 -11.202 1.00 0.00 C ATOM 375 CD PRO A 30 3.863 2.193 -9.841 1.00 0.00 C ATOM 0 HA PRO A 30 6.363 4.284 -10.522 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.153 4.628 -12.126 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.249 3.276 -12.330 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.488 3.298 -11.123 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.315 1.987 -11.941 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.037 2.207 -9.130 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.185 1.156 -9.935 1.00 0.00 H new ATOM 383 N GLN A 31 3.729 5.424 -9.013 1.00 0.00 N ATOM 384 CA GLN A 31 3.195 6.666 -8.393 1.00 0.00 C ATOM 385 C GLN A 31 4.019 6.972 -7.139 1.00 0.00 C ATOM 386 O GLN A 31 3.804 7.958 -6.463 1.00 0.00 O ATOM 387 CB GLN A 31 1.732 6.451 -7.995 1.00 0.00 C ATOM 388 CG GLN A 31 0.810 7.030 -9.068 1.00 0.00 C ATOM 389 CD GLN A 31 -0.490 6.223 -9.112 1.00 0.00 C ATOM 390 OE1 GLN A 31 -0.828 5.487 -8.086 1.00 0.00 O flip ATOM 391 NE2 GLN A 31 -1.209 6.263 -10.092 1.00 0.00 N flip ATOM 0 H GLN A 31 3.214 4.572 -8.790 1.00 0.00 H new ATOM 0 HA GLN A 31 3.257 7.494 -9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.533 5.387 -7.868 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.533 6.929 -7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.594 8.076 -8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.302 7.001 -10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.947 6.837 -10.894 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.074 5.723 -10.112 1.00 0.00 H new ATOM 400 N LEU A 32 4.958 6.118 -6.824 1.00 0.00 N ATOM 401 CA LEU A 32 5.801 6.330 -5.618 1.00 0.00 C ATOM 402 C LEU A 32 7.095 7.039 -6.018 1.00 0.00 C ATOM 403 O LEU A 32 7.564 7.930 -5.339 1.00 0.00 O ATOM 404 CB LEU A 32 6.132 4.976 -5.004 1.00 0.00 C ATOM 405 CG LEU A 32 5.095 4.654 -3.937 1.00 0.00 C ATOM 406 CD1 LEU A 32 5.037 3.149 -3.735 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.484 5.330 -2.623 1.00 0.00 C ATOM 0 H LEU A 32 5.176 5.277 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 32 5.264 6.944 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.135 4.203 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.130 4.994 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 32 4.119 5.020 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.296 2.913 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.759 2.667 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.014 2.787 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.740 5.098 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.460 4.965 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.530 6.409 -2.769 1.00 0.00 H new ATOM 419 N GLU A 33 7.672 6.645 -7.121 1.00 0.00 N ATOM 420 CA GLU A 33 8.937 7.284 -7.579 1.00 0.00 C ATOM 421 C GLU A 33 8.628 8.663 -8.164 1.00 0.00 C ATOM 422 O GLU A 33 9.476 9.530 -8.216 1.00 0.00 O ATOM 423 CB GLU A 33 9.585 6.411 -8.657 1.00 0.00 C ATOM 424 CG GLU A 33 10.025 5.081 -8.045 1.00 0.00 C ATOM 425 CD GLU A 33 9.687 3.942 -9.007 1.00 0.00 C ATOM 426 OE1 GLU A 33 9.512 4.218 -10.182 1.00 0.00 O ATOM 427 OE2 GLU A 33 9.611 2.813 -8.553 1.00 0.00 O ATOM 0 H GLU A 33 7.319 5.904 -7.727 1.00 0.00 H new ATOM 0 HA GLU A 33 9.618 7.390 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.879 6.233 -9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.443 6.926 -9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.096 5.097 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.525 4.925 -7.089 1.00 0.00 H new ATOM 434 N GLU A 34 7.419 8.869 -8.611 1.00 0.00 N ATOM 435 CA GLU A 34 7.054 10.188 -9.200 1.00 0.00 C ATOM 436 C GLU A 34 6.518 11.118 -8.109 1.00 0.00 C ATOM 437 O GLU A 34 6.557 12.325 -8.240 1.00 0.00 O ATOM 438 CB GLU A 34 5.979 9.983 -10.270 1.00 0.00 C ATOM 439 CG GLU A 34 6.478 10.529 -11.610 1.00 0.00 C ATOM 440 CD GLU A 34 6.236 9.489 -12.708 1.00 0.00 C ATOM 441 OE1 GLU A 34 5.102 9.370 -13.142 1.00 0.00 O ATOM 442 OE2 GLU A 34 7.189 8.832 -13.096 1.00 0.00 O ATOM 0 H GLU A 34 6.668 8.179 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 34 7.939 10.639 -9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.742 8.923 -10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.060 10.491 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.960 11.457 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.540 10.765 -11.546 1.00 0.00 H new ATOM 449 N LYS A 35 6.017 10.574 -7.033 1.00 0.00 N ATOM 450 CA LYS A 35 5.483 11.445 -5.947 1.00 0.00 C ATOM 451 C LYS A 35 6.545 11.623 -4.859 1.00 0.00 C ATOM 452 O LYS A 35 6.371 12.389 -3.932 1.00 0.00 O ATOM 453 CB LYS A 35 4.230 10.809 -5.339 1.00 0.00 C ATOM 454 CG LYS A 35 3.440 11.872 -4.571 1.00 0.00 C ATOM 455 CD LYS A 35 2.292 12.390 -5.443 1.00 0.00 C ATOM 456 CE LYS A 35 2.834 13.396 -6.461 1.00 0.00 C ATOM 457 NZ LYS A 35 1.755 14.354 -6.834 1.00 0.00 N ATOM 0 H LYS A 35 5.954 9.571 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 35 5.226 12.418 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.610 10.377 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.510 9.995 -4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.046 11.449 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.097 12.695 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.810 11.559 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.533 12.862 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.683 13.934 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.195 12.874 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.122 15.038 -7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.958 13.833 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.431 14.860 -5.985 1.00 0.00 H new ATOM 471 N THR A 36 7.644 10.924 -4.962 1.00 0.00 N ATOM 472 CA THR A 36 8.712 11.064 -3.929 1.00 0.00 C ATOM 473 C THR A 36 10.056 11.365 -4.611 1.00 0.00 C ATOM 474 O THR A 36 10.900 12.030 -4.049 1.00 0.00 O ATOM 475 CB THR A 36 8.812 9.769 -3.109 1.00 0.00 C ATOM 476 OG1 THR A 36 9.355 10.065 -1.831 1.00 0.00 O ATOM 477 CG2 THR A 36 9.710 8.755 -3.822 1.00 0.00 C ATOM 0 H THR A 36 7.848 10.265 -5.713 1.00 0.00 H new ATOM 0 HA THR A 36 8.463 11.888 -3.260 1.00 0.00 H new ATOM 0 HB THR A 36 7.816 9.340 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.419 9.241 -1.304 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.771 7.843 -3.229 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.291 8.524 -4.801 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.708 9.176 -3.944 1.00 0.00 H new ATOM 485 N ASN A 37 10.244 10.870 -5.815 1.00 0.00 N ATOM 486 CA ASN A 37 11.518 11.103 -6.570 1.00 0.00 C ATOM 487 C ASN A 37 12.509 9.960 -6.292 1.00 0.00 C ATOM 488 O ASN A 37 13.710 10.142 -6.322 1.00 0.00 O ATOM 489 CB ASN A 37 12.124 12.472 -6.190 1.00 0.00 C ATOM 490 CG ASN A 37 13.204 12.319 -5.110 1.00 0.00 C ATOM 491 OD1 ASN A 37 13.133 11.434 -4.279 1.00 0.00 O ATOM 492 ND2 ASN A 37 14.211 13.147 -5.092 1.00 0.00 N ATOM 0 H ASN A 37 9.556 10.305 -6.313 1.00 0.00 H new ATOM 0 HA ASN A 37 11.303 11.117 -7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.554 12.941 -7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.337 13.134 -5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.937 13.052 -4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.273 13.890 -5.788 1.00 0.00 H new ATOM 499 N GLU A 38 12.011 8.782 -6.032 1.00 0.00 N ATOM 500 CA GLU A 38 12.921 7.632 -5.761 1.00 0.00 C ATOM 501 C GLU A 38 12.855 6.647 -6.929 1.00 0.00 C ATOM 502 O GLU A 38 12.192 6.888 -7.916 1.00 0.00 O ATOM 503 CB GLU A 38 12.490 6.933 -4.472 1.00 0.00 C ATOM 504 CG GLU A 38 13.524 7.209 -3.378 1.00 0.00 C ATOM 505 CD GLU A 38 14.592 6.115 -3.399 1.00 0.00 C ATOM 506 OE1 GLU A 38 14.242 4.969 -3.168 1.00 0.00 O ATOM 507 OE2 GLU A 38 15.741 6.440 -3.645 1.00 0.00 O ATOM 0 H GLU A 38 11.015 8.566 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 38 13.943 7.993 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.509 7.292 -4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.398 5.860 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.984 8.184 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.038 7.239 -2.403 1.00 0.00 H new ATOM 514 N THR A 39 13.541 5.541 -6.828 1.00 0.00 N ATOM 515 CA THR A 39 13.514 4.550 -7.943 1.00 0.00 C ATOM 516 C THR A 39 12.721 3.316 -7.524 1.00 0.00 C ATOM 517 O THR A 39 12.170 2.611 -8.344 1.00 0.00 O ATOM 518 CB THR A 39 14.946 4.145 -8.304 1.00 0.00 C ATOM 519 OG1 THR A 39 15.761 5.307 -8.379 1.00 0.00 O ATOM 520 CG2 THR A 39 14.951 3.427 -9.654 1.00 0.00 C ATOM 0 H THR A 39 14.116 5.281 -6.027 1.00 0.00 H new ATOM 0 HA THR A 39 13.035 5.002 -8.812 1.00 0.00 H new ATOM 0 HB THR A 39 15.338 3.475 -7.539 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.678 5.049 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.971 3.139 -9.909 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.327 2.535 -9.594 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.559 4.094 -10.422 1.00 0.00 H new ATOM 528 N TYR A 40 12.646 3.087 -6.250 1.00 0.00 N ATOM 529 CA TYR A 40 11.887 1.926 -5.706 1.00 0.00 C ATOM 530 C TYR A 40 11.979 0.717 -6.646 1.00 0.00 C ATOM 531 O TYR A 40 12.841 0.633 -7.498 1.00 0.00 O ATOM 532 CB TYR A 40 10.437 2.351 -5.527 1.00 0.00 C ATOM 533 CG TYR A 40 10.343 3.422 -4.461 1.00 0.00 C ATOM 534 CD1 TYR A 40 11.178 3.382 -3.333 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.422 4.464 -4.608 1.00 0.00 C ATOM 536 CE1 TYR A 40 11.087 4.388 -2.362 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.330 5.464 -3.638 1.00 0.00 C ATOM 538 CZ TYR A 40 10.162 5.429 -2.515 1.00 0.00 C ATOM 539 OH TYR A 40 10.073 6.421 -1.560 1.00 0.00 O ATOM 0 H TYR A 40 13.090 3.670 -5.540 1.00 0.00 H new ATOM 0 HA TYR A 40 12.314 1.625 -4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.040 2.728 -6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.829 1.491 -5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.889 2.578 -3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.779 4.495 -5.475 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.730 4.361 -1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.615 6.265 -3.755 1.00 0.00 H new ATOM 0 HH TYR A 40 9.324 6.229 -0.958 1.00 0.00 H new ATOM 549 N GLY A 43 11.105 -0.233 -6.478 1.00 0.00 N ATOM 550 CA GLY A 43 11.141 -1.448 -7.349 1.00 0.00 C ATOM 551 C GLY A 43 10.093 -2.460 -6.877 1.00 0.00 C ATOM 552 O GLY A 43 9.156 -2.118 -6.183 1.00 0.00 O ATOM 0 H GLY A 43 10.365 -0.225 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.949 -1.169 -8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.133 -1.898 -7.319 1.00 0.00 H new ATOM 556 N LYS A 44 10.244 -3.706 -7.252 1.00 0.00 N ATOM 557 CA LYS A 44 9.262 -4.744 -6.829 1.00 0.00 C ATOM 558 C LYS A 44 8.910 -4.535 -5.361 1.00 0.00 C ATOM 559 O LYS A 44 9.775 -4.475 -4.509 1.00 0.00 O ATOM 560 CB LYS A 44 9.879 -6.134 -6.997 1.00 0.00 C ATOM 561 CG LYS A 44 9.448 -6.729 -8.340 1.00 0.00 C ATOM 562 CD LYS A 44 8.179 -7.561 -8.147 1.00 0.00 C ATOM 563 CE LYS A 44 7.772 -8.191 -9.480 1.00 0.00 C ATOM 564 NZ LYS A 44 6.328 -7.928 -9.734 1.00 0.00 N ATOM 0 H LYS A 44 11.008 -4.047 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 44 8.365 -4.663 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.966 -6.069 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.563 -6.784 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.267 -5.932 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.245 -7.351 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.351 -8.339 -7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.373 -6.932 -7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.375 -7.778 -10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.959 -9.265 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.051 -8.356 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.760 -8.342 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.163 -6.902 -9.772 1.00 0.00 H new ATOM 578 N LEU A 45 7.652 -4.418 -5.052 1.00 0.00 N ATOM 579 CA LEU A 45 7.267 -4.207 -3.644 1.00 0.00 C ATOM 580 C LEU A 45 6.609 -5.483 -3.108 1.00 0.00 C ATOM 581 O LEU A 45 5.404 -5.621 -3.087 1.00 0.00 O ATOM 582 CB LEU A 45 6.323 -3.014 -3.597 1.00 0.00 C ATOM 583 CG LEU A 45 7.050 -1.839 -4.256 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.186 -0.571 -4.211 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.375 -1.615 -3.512 1.00 0.00 C ATOM 0 H LEU A 45 6.879 -4.460 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 45 8.132 -3.997 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.395 -3.236 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.057 -2.774 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 45 7.244 -2.066 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.722 0.251 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.251 -0.749 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.971 -0.314 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.910 -0.781 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.171 -1.389 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.985 -2.516 -3.576 1.00 0.00 H new ATOM 597 N GLU A 46 7.410 -6.431 -2.694 1.00 0.00 N ATOM 598 CA GLU A 46 6.854 -7.721 -2.180 1.00 0.00 C ATOM 599 C GLU A 46 6.044 -7.474 -0.911 1.00 0.00 C ATOM 600 O GLU A 46 6.543 -7.579 0.189 1.00 0.00 O ATOM 601 CB GLU A 46 7.997 -8.690 -1.875 1.00 0.00 C ATOM 602 CG GLU A 46 8.523 -9.281 -3.185 1.00 0.00 C ATOM 603 CD GLU A 46 9.897 -9.908 -2.952 1.00 0.00 C ATOM 604 OE1 GLU A 46 10.815 -9.172 -2.630 1.00 0.00 O ATOM 605 OE2 GLU A 46 10.010 -11.114 -3.102 1.00 0.00 O ATOM 0 H GLU A 46 8.428 -6.368 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 46 6.203 -8.153 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.798 -8.171 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.648 -9.486 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.829 -10.032 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.592 -8.502 -3.945 1.00 0.00 H new ATOM 612 N ALA A 47 4.795 -7.147 -1.060 1.00 0.00 N ATOM 613 CA ALA A 47 3.945 -6.881 0.130 1.00 0.00 C ATOM 614 C ALA A 47 4.219 -7.904 1.220 1.00 0.00 C ATOM 615 O ALA A 47 4.578 -9.038 0.973 1.00 0.00 O ATOM 616 CB ALA A 47 2.480 -6.917 -0.277 1.00 0.00 C ATOM 0 H ALA A 47 4.323 -7.052 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 47 4.183 -5.894 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.855 -6.722 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.294 -6.155 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.239 -7.899 -0.683 1.00 0.00 H new ATOM 622 N VAL A 48 4.059 -7.475 2.431 1.00 0.00 N ATOM 623 CA VAL A 48 4.306 -8.346 3.603 1.00 0.00 C ATOM 624 C VAL A 48 3.059 -8.302 4.468 1.00 0.00 C ATOM 625 O VAL A 48 2.571 -9.305 4.951 1.00 0.00 O ATOM 626 CB VAL A 48 5.518 -7.775 4.365 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.299 -7.831 5.883 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.765 -8.576 4.002 1.00 0.00 C ATOM 0 H VAL A 48 3.758 -6.529 2.665 1.00 0.00 H new ATOM 0 HA VAL A 48 4.517 -9.377 3.318 1.00 0.00 H new ATOM 0 HB VAL A 48 5.643 -6.731 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.171 -7.421 6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.418 -7.246 6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.152 -8.866 6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.624 -8.175 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.620 -9.620 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.943 -8.506 2.929 1.00 0.00 H new ATOM 638 N GLN A 49 2.549 -7.131 4.653 1.00 0.00 N ATOM 639 CA GLN A 49 1.326 -6.970 5.478 1.00 0.00 C ATOM 640 C GLN A 49 0.589 -5.729 4.998 1.00 0.00 C ATOM 641 O GLN A 49 1.109 -4.963 4.215 1.00 0.00 O ATOM 642 CB GLN A 49 1.718 -6.811 6.947 1.00 0.00 C ATOM 643 CG GLN A 49 1.521 -8.145 7.670 1.00 0.00 C ATOM 644 CD GLN A 49 2.251 -8.115 9.015 1.00 0.00 C ATOM 645 OE1 GLN A 49 3.192 -7.368 9.192 1.00 0.00 O ATOM 646 NE2 GLN A 49 1.853 -8.903 9.976 1.00 0.00 N ATOM 0 H GLN A 49 2.927 -6.266 4.266 1.00 0.00 H new ATOM 0 HA GLN A 49 0.683 -7.845 5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.757 -6.492 7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.110 -6.037 7.416 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.459 -8.332 7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.902 -8.962 7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.063 -9.530 9.827 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.332 -8.892 10.876 1.00 0.00 H new ATOM 655 N TYR A 50 -0.617 -5.521 5.432 1.00 0.00 N ATOM 656 CA TYR A 50 -1.344 -4.325 4.968 1.00 0.00 C ATOM 657 C TYR A 50 -2.577 -4.061 5.823 1.00 0.00 C ATOM 658 O TYR A 50 -3.262 -4.971 6.258 1.00 0.00 O ATOM 659 CB TYR A 50 -1.785 -4.534 3.543 1.00 0.00 C ATOM 660 CG TYR A 50 -2.919 -5.529 3.493 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.668 -6.890 3.692 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.225 -5.084 3.252 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.723 -7.809 3.647 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.280 -6.002 3.210 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.029 -7.365 3.408 1.00 0.00 C ATOM 666 OH TYR A 50 -6.070 -8.271 3.365 1.00 0.00 O ATOM 0 H TYR A 50 -1.123 -6.123 6.081 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.673 -3.469 5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.103 -3.586 3.110 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.948 -4.894 2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.661 -7.232 3.880 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.418 -4.032 3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.529 -8.861 3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.287 -5.659 3.025 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.910 -7.797 3.190 1.00 0.00 H new ATOM 676 N LYS A 51 -2.878 -2.817 6.034 1.00 0.00 N ATOM 677 CA LYS A 51 -4.090 -2.463 6.821 1.00 0.00 C ATOM 678 C LYS A 51 -5.143 -1.866 5.875 1.00 0.00 C ATOM 679 O LYS A 51 -4.843 -1.511 4.750 1.00 0.00 O ATOM 680 CB LYS A 51 -3.734 -1.446 7.907 1.00 0.00 C ATOM 681 CG LYS A 51 -3.509 -2.169 9.237 1.00 0.00 C ATOM 682 CD LYS A 51 -4.864 -2.466 9.885 1.00 0.00 C ATOM 683 CE LYS A 51 -5.436 -3.784 9.341 1.00 0.00 C ATOM 684 NZ LYS A 51 -4.353 -4.797 9.203 1.00 0.00 N ATOM 0 H LYS A 51 -2.335 -2.023 5.694 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.487 -3.359 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.836 -0.897 7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.536 -0.715 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.960 -3.096 9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.902 -1.553 9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.751 -2.529 10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.558 -1.650 9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.210 -4.157 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.908 -3.612 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.742 -5.747 9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.955 -4.751 8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.604 -4.602 9.898 1.00 0.00 H new ATOM 698 N THR A 52 -6.371 -1.756 6.314 1.00 0.00 N ATOM 699 CA THR A 52 -7.437 -1.187 5.432 1.00 0.00 C ATOM 700 C THR A 52 -8.423 -0.371 6.274 1.00 0.00 C ATOM 701 O THR A 52 -8.764 -0.743 7.379 1.00 0.00 O ATOM 702 CB THR A 52 -8.189 -2.332 4.749 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.215 -3.462 5.611 1.00 0.00 O ATOM 704 CG2 THR A 52 -7.484 -2.696 3.442 1.00 0.00 C ATOM 0 H THR A 52 -6.682 -2.035 7.244 1.00 0.00 H new ATOM 0 HA THR A 52 -6.980 -0.542 4.682 1.00 0.00 H new ATOM 0 HB THR A 52 -9.211 -2.020 4.533 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.698 -4.195 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.019 -3.511 2.955 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.468 -1.828 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.462 -3.009 3.655 1.00 0.00 H new ATOM 712 N GLN A 53 -8.893 0.733 5.757 1.00 0.00 N ATOM 713 CA GLN A 53 -9.866 1.564 6.527 1.00 0.00 C ATOM 714 C GLN A 53 -11.186 1.624 5.764 1.00 0.00 C ATOM 715 O GLN A 53 -11.247 1.328 4.586 1.00 0.00 O ATOM 716 CB GLN A 53 -9.326 2.986 6.696 1.00 0.00 C ATOM 717 CG GLN A 53 -8.007 2.943 7.462 1.00 0.00 C ATOM 718 CD GLN A 53 -8.246 3.345 8.919 1.00 0.00 C ATOM 719 OE1 GLN A 53 -7.556 4.193 9.449 1.00 0.00 O ATOM 720 NE2 GLN A 53 -9.199 2.763 9.594 1.00 0.00 N ATOM 0 H GLN A 53 -8.646 1.095 4.836 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.017 1.117 7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.177 3.448 5.720 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.050 3.600 7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.581 1.941 7.416 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.285 3.618 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.778 2.051 9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.365 3.020 10.567 1.00 0.00 H new ATOM 729 N VAL A 54 -12.247 2.005 6.420 1.00 0.00 N ATOM 730 CA VAL A 54 -13.553 2.082 5.723 1.00 0.00 C ATOM 731 C VAL A 54 -14.065 3.527 5.725 1.00 0.00 C ATOM 732 O VAL A 54 -14.029 4.211 6.729 1.00 0.00 O ATOM 733 CB VAL A 54 -14.548 1.148 6.415 1.00 0.00 C ATOM 734 CG1 VAL A 54 -15.356 1.914 7.457 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.496 0.563 5.366 1.00 0.00 C ATOM 0 H VAL A 54 -12.262 2.265 7.406 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.437 1.767 4.686 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.001 0.348 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -16.060 1.237 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -14.682 2.332 8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -15.905 2.721 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.209 -0.104 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.034 1.371 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.921 0.004 4.627 1.00 0.00 H new ATOM 745 N VAL A 55 -14.548 3.986 4.607 1.00 0.00 N ATOM 746 CA VAL A 55 -15.077 5.376 4.520 1.00 0.00 C ATOM 747 C VAL A 55 -16.024 5.447 3.319 1.00 0.00 C ATOM 748 O VAL A 55 -17.142 4.974 3.371 1.00 0.00 O ATOM 749 CB VAL A 55 -13.912 6.353 4.330 1.00 0.00 C ATOM 750 CG1 VAL A 55 -13.321 6.721 5.691 1.00 0.00 C ATOM 751 CG2 VAL A 55 -12.827 5.691 3.475 1.00 0.00 C ATOM 0 H VAL A 55 -14.600 3.452 3.739 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.610 5.643 5.432 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.275 7.253 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.493 7.416 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.089 7.190 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.959 5.820 6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.997 6.385 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.469 4.791 3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.242 5.426 2.502 1.00 0.00 H new ATOM 761 N ALA A 56 -15.571 5.989 2.222 1.00 0.00 N ATOM 762 CA ALA A 56 -16.420 6.038 1.006 1.00 0.00 C ATOM 763 C ALA A 56 -15.943 4.910 0.100 1.00 0.00 C ATOM 764 O ALA A 56 -15.979 4.988 -1.111 1.00 0.00 O ATOM 765 CB ALA A 56 -16.224 7.379 0.308 1.00 0.00 C ATOM 0 H ALA A 56 -14.644 6.401 2.119 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.477 5.927 1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.846 7.418 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.508 8.186 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.177 7.493 0.027 1.00 0.00 H new ATOM 771 N GLY A 57 -15.455 3.875 0.718 1.00 0.00 N ATOM 772 CA GLY A 57 -14.904 2.708 -0.016 1.00 0.00 C ATOM 773 C GLY A 57 -13.943 2.017 0.936 1.00 0.00 C ATOM 774 O GLY A 57 -14.329 1.535 1.982 1.00 0.00 O ATOM 0 H GLY A 57 -15.415 3.788 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.701 2.031 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.390 3.027 -0.923 1.00 0.00 H new ATOM 778 N THR A 58 -12.692 2.001 0.611 1.00 0.00 N ATOM 779 CA THR A 58 -11.707 1.375 1.545 1.00 0.00 C ATOM 780 C THR A 58 -10.295 1.868 1.236 1.00 0.00 C ATOM 781 O THR A 58 -9.817 1.769 0.123 1.00 0.00 O ATOM 782 CB THR A 58 -11.748 -0.148 1.433 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.100 -0.588 1.459 1.00 0.00 O ATOM 784 CG2 THR A 58 -10.983 -0.752 2.617 1.00 0.00 C ATOM 0 H THR A 58 -12.302 2.387 -0.249 1.00 0.00 H new ATOM 0 HA THR A 58 -11.976 1.663 2.561 1.00 0.00 H new ATOM 0 HB THR A 58 -11.288 -0.466 0.498 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.632 0.023 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.005 -1.840 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.949 -0.408 2.595 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.450 -0.438 3.550 1.00 0.00 H new ATOM 792 N ASN A 59 -9.619 2.387 2.227 1.00 0.00 N ATOM 793 CA ASN A 59 -8.245 2.876 2.031 1.00 0.00 C ATOM 794 C ASN A 59 -7.295 1.688 2.003 1.00 0.00 C ATOM 795 O ASN A 59 -7.705 0.544 2.031 1.00 0.00 O ATOM 796 CB ASN A 59 -7.894 3.751 3.224 1.00 0.00 C ATOM 797 CG ASN A 59 -8.617 5.097 3.130 1.00 0.00 C ATOM 798 OD1 ASN A 59 -8.199 5.971 2.399 1.00 0.00 O ATOM 799 ND2 ASN A 59 -9.689 5.306 3.849 1.00 0.00 N ATOM 0 H ASN A 59 -9.977 2.489 3.176 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.164 3.434 1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.173 3.245 4.148 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.817 3.912 3.261 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.173 6.202 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.042 4.573 4.464 1.00 0.00 H new ATOM 806 N TYR A 60 -6.024 1.951 1.990 1.00 0.00 N ATOM 807 CA TYR A 60 -5.038 0.835 2.010 1.00 0.00 C ATOM 808 C TYR A 60 -3.760 1.283 2.698 1.00 0.00 C ATOM 809 O TYR A 60 -3.403 2.445 2.718 1.00 0.00 O ATOM 810 CB TYR A 60 -4.654 0.355 0.602 1.00 0.00 C ATOM 811 CG TYR A 60 -5.866 -0.097 -0.161 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.797 0.836 -0.620 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.045 -1.457 -0.426 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.911 0.410 -1.345 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.159 -1.886 -1.148 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.094 -0.954 -1.611 1.00 0.00 C ATOM 817 OH TYR A 60 -9.194 -1.381 -2.327 1.00 0.00 O ATOM 0 H TYR A 60 -5.622 2.888 1.966 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.519 0.015 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.159 1.162 0.061 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.939 -0.465 0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.656 1.887 -0.414 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.321 -2.176 -0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.632 1.131 -1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.300 -2.938 -1.350 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.165 -2.356 -2.421 1.00 0.00 H new ATOM 827 N TYR A 61 -3.069 0.335 3.229 1.00 0.00 N ATOM 828 CA TYR A 61 -1.781 0.583 3.910 1.00 0.00 C ATOM 829 C TYR A 61 -1.026 -0.721 3.753 1.00 0.00 C ATOM 830 O TYR A 61 -1.586 -1.775 3.932 1.00 0.00 O ATOM 831 CB TYR A 61 -2.054 0.932 5.375 1.00 0.00 C ATOM 832 CG TYR A 61 -3.211 1.905 5.411 1.00 0.00 C ATOM 833 CD1 TYR A 61 -2.995 3.259 5.135 1.00 0.00 C ATOM 834 CD2 TYR A 61 -4.502 1.450 5.695 1.00 0.00 C ATOM 835 CE1 TYR A 61 -4.066 4.158 5.140 1.00 0.00 C ATOM 836 CE2 TYR A 61 -5.574 2.350 5.704 1.00 0.00 C ATOM 837 CZ TYR A 61 -5.355 3.706 5.424 1.00 0.00 C ATOM 838 OH TYR A 61 -6.411 4.595 5.422 1.00 0.00 O ATOM 0 H TYR A 61 -3.354 -0.644 3.220 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.208 1.415 3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.293 0.033 5.944 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.169 1.374 5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.998 3.611 4.917 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.672 0.405 5.907 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.895 5.202 4.924 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.571 1.999 5.927 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.244 5.300 4.762 1.00 0.00 H new ATOM 848 N ILE A 62 0.193 -0.705 3.324 1.00 0.00 N ATOM 849 CA ILE A 62 0.842 -2.013 3.087 1.00 0.00 C ATOM 850 C ILE A 62 2.332 -1.975 3.390 1.00 0.00 C ATOM 851 O ILE A 62 3.091 -1.299 2.724 1.00 0.00 O ATOM 852 CB ILE A 62 0.679 -2.388 1.607 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.795 -2.335 1.164 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.205 -3.807 1.398 1.00 0.00 C ATOM 855 CD1 ILE A 62 -0.899 -1.629 -0.194 1.00 0.00 C ATOM 0 H ILE A 62 0.755 0.125 3.132 1.00 0.00 H new ATOM 0 HA ILE A 62 0.367 -2.739 3.747 1.00 0.00 H new ATOM 0 HB ILE A 62 1.240 -1.669 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.200 -3.344 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.390 -1.805 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.095 -4.085 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.258 -3.849 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.638 -4.500 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.943 -1.592 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.510 -0.614 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.318 -2.178 -0.935 1.00 0.00 H new ATOM 867 N LYS A 63 2.780 -2.758 4.330 1.00 0.00 N ATOM 868 CA LYS A 63 4.234 -2.810 4.577 1.00 0.00 C ATOM 869 C LYS A 63 4.774 -3.683 3.446 1.00 0.00 C ATOM 870 O LYS A 63 4.600 -4.886 3.446 1.00 0.00 O ATOM 871 CB LYS A 63 4.512 -3.424 5.961 1.00 0.00 C ATOM 872 CG LYS A 63 5.759 -4.315 5.926 1.00 0.00 C ATOM 873 CD LYS A 63 6.920 -3.565 5.267 1.00 0.00 C ATOM 874 CE LYS A 63 7.619 -4.489 4.270 1.00 0.00 C ATOM 875 NZ LYS A 63 8.034 -5.739 4.967 1.00 0.00 N ATOM 0 H LYS A 63 2.207 -3.354 4.927 1.00 0.00 H new ATOM 0 HA LYS A 63 4.708 -1.828 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.649 -2.629 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.651 -4.010 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.034 -4.610 6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.547 -5.231 5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.550 -2.675 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.627 -3.228 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.949 -4.725 3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.489 -3.991 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.434 -6.405 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.751 -5.514 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.207 -6.171 5.426 1.00 0.00 H new ATOM 889 N VAL A 64 5.356 -3.079 2.449 1.00 0.00 N ATOM 890 CA VAL A 64 5.823 -3.862 1.272 1.00 0.00 C ATOM 891 C VAL A 64 7.343 -3.878 1.202 1.00 0.00 C ATOM 892 O VAL A 64 7.993 -2.869 1.384 1.00 0.00 O ATOM 893 CB VAL A 64 5.284 -3.217 -0.007 1.00 0.00 C ATOM 894 CG1 VAL A 64 4.822 -4.301 -0.977 1.00 0.00 C ATOM 895 CG2 VAL A 64 4.106 -2.290 0.313 1.00 0.00 C ATOM 0 H VAL A 64 5.529 -2.075 2.398 1.00 0.00 H new ATOM 0 HA VAL A 64 5.459 -4.885 1.371 1.00 0.00 H new ATOM 0 HB VAL A 64 6.083 -2.631 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.439 -3.837 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.663 -4.948 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.034 -4.893 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.736 -1.840 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.308 -2.865 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.435 -1.504 0.993 1.00 0.00 H new ATOM 905 N ARG A 65 7.919 -5.005 0.898 1.00 0.00 N ATOM 906 CA ARG A 65 9.395 -5.052 0.777 1.00 0.00 C ATOM 907 C ARG A 65 9.765 -4.238 -0.449 1.00 0.00 C ATOM 908 O ARG A 65 9.235 -4.438 -1.517 1.00 0.00 O ATOM 909 CB ARG A 65 9.886 -6.488 0.594 1.00 0.00 C ATOM 910 CG ARG A 65 8.992 -7.458 1.367 1.00 0.00 C ATOM 911 CD ARG A 65 9.852 -8.293 2.317 1.00 0.00 C ATOM 912 NE ARG A 65 9.700 -9.738 1.980 1.00 0.00 N ATOM 913 CZ ARG A 65 10.742 -10.437 1.615 1.00 0.00 C ATOM 914 NH1 ARG A 65 11.676 -9.886 0.889 1.00 0.00 N ATOM 915 NH2 ARG A 65 10.849 -11.687 1.979 1.00 0.00 N ATOM 0 H ARG A 65 7.435 -5.887 0.730 1.00 0.00 H new ATOM 0 HA ARG A 65 9.856 -4.655 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.885 -6.747 -0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.915 -6.575 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.239 -6.906 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.458 -8.109 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.898 -7.997 2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.551 -8.115 3.349 1.00 0.00 H new ATOM 0 HE ARG A 65 8.783 -10.181 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.593 -8.909 0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.489 -10.432 0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.119 -12.117 2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.662 -12.233 1.694 1.00 0.00 H new ATOM 929 N ALA A 66 10.653 -3.310 -0.286 1.00 0.00 N ATOM 930 CA ALA A 66 11.068 -2.434 -1.421 1.00 0.00 C ATOM 931 C ALA A 66 12.086 -3.143 -2.312 1.00 0.00 C ATOM 932 O ALA A 66 12.985 -2.535 -2.859 1.00 0.00 O ATOM 933 CB ALA A 66 11.692 -1.162 -0.864 1.00 0.00 C ATOM 0 H ALA A 66 11.121 -3.112 0.598 1.00 0.00 H new ATOM 0 HA ALA A 66 10.188 -2.196 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.998 -0.516 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.963 -0.640 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.563 -1.418 -0.261 1.00 0.00 H new ATOM 939 N GLY A 67 11.921 -4.413 -2.489 1.00 0.00 N ATOM 940 CA GLY A 67 12.834 -5.185 -3.380 1.00 0.00 C ATOM 941 C GLY A 67 14.219 -5.418 -2.749 1.00 0.00 C ATOM 942 O GLY A 67 14.548 -6.520 -2.358 1.00 0.00 O ATOM 0 H GLY A 67 11.183 -4.965 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.379 -6.147 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.953 -4.651 -4.323 1.00 0.00 H new ATOM 946 N ASP A 68 15.056 -4.410 -2.719 1.00 0.00 N ATOM 947 CA ASP A 68 16.440 -4.589 -2.196 1.00 0.00 C ATOM 948 C ASP A 68 16.513 -4.574 -0.658 1.00 0.00 C ATOM 949 O ASP A 68 17.372 -3.930 -0.089 1.00 0.00 O ATOM 950 CB ASP A 68 17.329 -3.475 -2.751 1.00 0.00 C ATOM 951 CG ASP A 68 18.407 -4.082 -3.655 1.00 0.00 C ATOM 952 OD1 ASP A 68 18.047 -4.788 -4.582 1.00 0.00 O ATOM 953 OD2 ASP A 68 19.574 -3.827 -3.404 1.00 0.00 O ATOM 0 H ASP A 68 14.835 -3.466 -3.037 1.00 0.00 H new ATOM 0 HA ASP A 68 16.783 -5.571 -2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.727 -2.762 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.793 -2.925 -1.933 1.00 0.00 H new ATOM 958 N ASN A 92 15.664 -5.305 0.016 1.00 0.00 N ATOM 959 CA ASN A 92 15.735 -5.358 1.514 1.00 0.00 C ATOM 960 C ASN A 92 15.093 -4.123 2.157 1.00 0.00 C ATOM 961 O ASN A 92 14.432 -4.227 3.172 1.00 0.00 O ATOM 962 CB ASN A 92 17.197 -5.453 1.953 1.00 0.00 C ATOM 963 CG ASN A 92 17.318 -6.448 3.110 1.00 0.00 C ATOM 964 OD1 ASN A 92 16.990 -6.132 4.235 1.00 0.00 O ATOM 965 ND2 ASN A 92 17.779 -7.647 2.878 1.00 0.00 N ATOM 0 H ASN A 92 14.924 -5.869 -0.402 1.00 0.00 H new ATOM 0 HA ASN A 92 15.182 -6.237 1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.819 -5.773 1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 92 17.559 -4.473 2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 92 17.863 -8.318 3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 92 18.055 -7.913 1.933 1.00 0.00 H new ATOM 972 N LYS A 93 15.266 -2.959 1.594 1.00 0.00 N ATOM 973 CA LYS A 93 14.642 -1.756 2.216 1.00 0.00 C ATOM 974 C LYS A 93 13.134 -1.904 2.084 1.00 0.00 C ATOM 975 O LYS A 93 12.666 -2.434 1.111 1.00 0.00 O ATOM 976 CB LYS A 93 15.089 -0.498 1.469 1.00 0.00 C ATOM 977 CG LYS A 93 16.616 -0.462 1.390 1.00 0.00 C ATOM 978 CD LYS A 93 17.056 0.707 0.505 1.00 0.00 C ATOM 979 CE LYS A 93 17.357 0.196 -0.905 1.00 0.00 C ATOM 980 NZ LYS A 93 16.262 0.609 -1.827 1.00 0.00 N ATOM 0 H LYS A 93 15.803 -2.789 0.744 1.00 0.00 H new ATOM 0 HA LYS A 93 14.938 -1.670 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.663 -0.488 0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.720 0.391 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.040 -0.355 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.992 -1.401 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.273 1.464 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.941 1.183 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.310 0.596 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.451 -0.890 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.466 0.262 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.361 0.207 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.194 1.647 -1.842 1.00 0.00 H new ATOM 994 N TYR A 94 12.371 -1.460 3.049 1.00 0.00 N ATOM 995 CA TYR A 94 10.888 -1.610 2.945 1.00 0.00 C ATOM 996 C TYR A 94 10.246 -0.252 2.695 1.00 0.00 C ATOM 997 O TYR A 94 10.887 0.777 2.772 1.00 0.00 O ATOM 998 CB TYR A 94 10.327 -2.191 4.247 1.00 0.00 C ATOM 999 CG TYR A 94 10.720 -3.646 4.391 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.397 -4.307 3.358 1.00 0.00 C ATOM 1001 CD2 TYR A 94 10.408 -4.331 5.571 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.766 -5.648 3.505 1.00 0.00 C ATOM 1003 CE2 TYR A 94 10.774 -5.674 5.718 1.00 0.00 C ATOM 1004 CZ TYR A 94 11.455 -6.333 4.686 1.00 0.00 C ATOM 1005 OH TYR A 94 11.821 -7.654 4.835 1.00 0.00 O ATOM 0 H TYR A 94 12.706 -1.004 3.898 1.00 0.00 H new ATOM 0 HA TYR A 94 10.663 -2.282 2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.701 -1.621 5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.241 -2.099 4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 94 11.635 -3.780 2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 94 9.885 -3.823 6.368 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.290 -6.155 2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.531 -6.203 6.628 1.00 0.00 H new ATOM 0 HH TYR A 94 11.530 -7.977 5.713 1.00 0.00 H new ATOM 1015 N MET A 95 8.978 -0.243 2.400 1.00 0.00 N ATOM 1016 CA MET A 95 8.287 1.046 2.152 1.00 0.00 C ATOM 1017 C MET A 95 6.797 0.873 2.425 1.00 0.00 C ATOM 1018 O MET A 95 6.157 -0.020 1.909 1.00 0.00 O ATOM 1019 CB MET A 95 8.501 1.474 0.701 1.00 0.00 C ATOM 1020 CG MET A 95 9.435 2.685 0.664 1.00 0.00 C ATOM 1021 SD MET A 95 8.707 3.981 -0.365 1.00 0.00 S ATOM 1022 CE MET A 95 8.098 2.905 -1.687 1.00 0.00 C ATOM 0 H MET A 95 8.392 -1.074 2.320 1.00 0.00 H new ATOM 0 HA MET A 95 8.693 1.813 2.811 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.929 0.652 0.127 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.546 1.723 0.238 1.00 0.00 H new ATOM 0 HG2 MET A 95 9.602 3.059 1.674 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.408 2.395 0.267 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.014 3.476 -2.612 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.793 2.078 -1.833 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.119 2.512 -1.414 1.00 0.00 H new ATOM 1032 N HIS A 96 6.243 1.727 3.232 1.00 0.00 N ATOM 1033 CA HIS A 96 4.791 1.626 3.542 1.00 0.00 C ATOM 1034 C HIS A 96 4.004 2.188 2.360 1.00 0.00 C ATOM 1035 O HIS A 96 4.395 3.172 1.763 1.00 0.00 O ATOM 1036 CB HIS A 96 4.485 2.438 4.802 1.00 0.00 C ATOM 1037 CG HIS A 96 4.384 1.522 5.985 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.577 1.958 7.288 1.00 0.00 N ATOM 1039 CD2 HIS A 96 4.130 0.188 6.071 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.440 0.893 8.094 1.00 0.00 C ATOM 1041 NE2 HIS A 96 4.178 -0.218 7.402 1.00 0.00 N ATOM 0 H HIS A 96 6.733 2.494 3.693 1.00 0.00 H new ATOM 0 HA HIS A 96 4.511 0.586 3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.269 3.177 4.969 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.552 2.986 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.922 -0.459 5.232 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.531 0.931 9.170 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.042 -1.160 7.769 1.00 0.00 H new ATOM 1049 N LEU A 97 2.912 1.572 1.993 1.00 0.00 N ATOM 1050 CA LEU A 97 2.145 2.099 0.825 1.00 0.00 C ATOM 1051 C LEU A 97 0.700 2.419 1.214 1.00 0.00 C ATOM 1052 O LEU A 97 -0.011 1.594 1.748 1.00 0.00 O ATOM 1053 CB LEU A 97 2.137 1.060 -0.305 1.00 0.00 C ATOM 1054 CG LEU A 97 2.762 1.646 -1.579 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.334 3.100 -1.759 1.00 0.00 C ATOM 1056 CD2 LEU A 97 4.288 1.571 -1.476 1.00 0.00 C ATOM 0 H LEU A 97 2.523 0.742 2.441 1.00 0.00 H new ATOM 0 HA LEU A 97 2.632 3.015 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.691 0.174 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.114 0.742 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 97 2.421 1.070 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.785 3.502 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.248 3.152 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.663 3.685 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.735 1.986 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.623 2.142 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.595 0.531 -1.365 1.00 0.00 H new ATOM 1068 N LYS A 98 0.259 3.612 0.919 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.144 4.002 1.236 1.00 0.00 C ATOM 1070 C LYS A 98 -1.902 4.202 -0.081 1.00 0.00 C ATOM 1071 O LYS A 98 -1.459 4.924 -0.951 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.140 5.308 2.034 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.500 5.504 2.704 1.00 0.00 C ATOM 1074 CD LYS A 98 -2.793 6.999 2.844 1.00 0.00 C ATOM 1075 CE LYS A 98 -2.567 7.432 4.294 1.00 0.00 C ATOM 1076 NZ LYS A 98 -2.452 8.916 4.358 1.00 0.00 N ATOM 0 H LYS A 98 0.815 4.338 0.468 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.628 3.225 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.352 5.283 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.924 6.148 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.280 5.024 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.505 5.029 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.147 7.571 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.821 7.208 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.394 7.094 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.661 6.969 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.298 9.210 5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.649 9.227 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.328 9.348 4.000 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.024 3.553 -0.249 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.781 3.694 -1.519 1.00 0.00 C ATOM 1092 C VAL A 99 -5.269 3.928 -1.207 1.00 0.00 C ATOM 1093 O VAL A 99 -5.722 3.687 -0.105 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.634 2.381 -2.308 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -4.874 2.132 -3.155 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.423 2.440 -3.232 1.00 0.00 C ATOM 0 H VAL A 99 -3.446 2.932 0.441 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.398 4.536 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.506 1.573 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.756 1.200 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.748 2.062 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.007 2.955 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.338 1.502 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.543 3.263 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.521 2.598 -2.640 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.043 4.350 -2.183 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.502 4.527 -1.946 1.00 0.00 C ATOM 1108 C PHE A 100 -8.251 3.828 -3.080 1.00 0.00 C ATOM 1109 O PHE A 100 -7.923 3.993 -4.244 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.873 6.009 -1.932 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.330 6.153 -1.573 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -10.303 6.054 -2.575 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -9.707 6.381 -0.248 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.658 6.181 -2.247 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.062 6.510 0.081 1.00 0.00 C ATOM 1116 CZ PHE A 100 -12.038 6.410 -0.919 1.00 0.00 C ATOM 0 H PHE A 100 -5.724 4.576 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.770 4.100 -0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.254 6.544 -1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.681 6.453 -2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.009 5.880 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.954 6.458 0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -12.410 6.102 -3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -11.355 6.687 1.106 1.00 0.00 H new ATOM 0 HZ PHE A 100 -13.083 6.510 -0.666 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.245 3.045 -2.760 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.005 2.340 -3.831 1.00 0.00 C ATOM 1128 C LYS A 101 -11.407 2.935 -3.929 1.00 0.00 C ATOM 1129 O LYS A 101 -11.996 3.336 -2.944 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.111 0.850 -3.507 1.00 0.00 C ATOM 1131 CG LYS A 101 -10.976 0.657 -2.263 1.00 0.00 C ATOM 1132 CD LYS A 101 -12.230 -0.136 -2.636 1.00 0.00 C ATOM 1133 CE LYS A 101 -12.588 -1.091 -1.497 1.00 0.00 C ATOM 1134 NZ LYS A 101 -13.730 -1.953 -1.912 1.00 0.00 N ATOM 0 H LYS A 101 -9.563 2.863 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.482 2.463 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.545 0.314 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.118 0.432 -3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.413 0.129 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.255 1.625 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.059 0.544 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.058 -0.697 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.727 -1.708 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.851 -0.525 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.974 -2.603 -1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.552 -1.356 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.462 -2.502 -2.753 1.00 0.00 H new ATOM 1257 N LEU A 108 -7.029 2.635 -8.833 1.00 0.00 N ATOM 1258 CA LEU A 108 -6.774 3.014 -7.416 1.00 0.00 C ATOM 1259 C LEU A 108 -5.793 4.158 -7.378 1.00 0.00 C ATOM 1260 O LEU A 108 -5.395 4.703 -8.387 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.193 1.817 -6.662 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.326 0.885 -6.233 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.295 0.694 -7.398 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.742 -0.471 -5.828 1.00 0.00 C ATOM 0 HA LEU A 108 -7.709 3.317 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.488 1.281 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.638 2.159 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.857 1.321 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.104 0.029 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.709 1.659 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.765 0.257 -8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.548 -1.137 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.213 -0.907 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.048 -0.335 -4.998 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.438 4.551 -6.209 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.523 5.704 -6.076 1.00 0.00 C ATOM 1278 C VAL A 109 -3.468 5.445 -5.013 1.00 0.00 C ATOM 1279 O VAL A 109 -3.622 4.603 -4.156 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.362 6.870 -5.617 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -5.999 6.477 -4.314 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.494 8.111 -5.411 1.00 0.00 C ATOM 0 H VAL A 109 -5.739 4.127 -5.332 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.022 5.888 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.115 7.110 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.616 7.298 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.621 5.594 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.223 6.253 -3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.118 8.941 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.736 7.904 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.008 8.375 -6.350 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.418 6.210 -5.048 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.367 6.099 -4.055 1.00 0.00 C ATOM 1294 C LEU A 110 -1.581 7.262 -3.086 1.00 0.00 C ATOM 1295 O LEU A 110 -1.091 8.355 -3.290 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.049 6.240 -4.789 1.00 0.00 C ATOM 1297 CG LEU A 110 1.029 6.559 -3.796 1.00 0.00 C ATOM 1298 CD1 LEU A 110 1.168 5.377 -2.847 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.326 6.803 -4.551 1.00 0.00 C ATOM 0 H LEU A 110 -2.257 6.926 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.372 5.154 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.188 5.317 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.117 7.029 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 110 0.786 7.452 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.948 5.588 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.222 5.211 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.434 4.485 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.121 7.037 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.593 5.909 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.195 7.639 -5.238 1.00 0.00 H new ATOM 1311 N THR A 111 -2.362 7.052 -2.072 1.00 0.00 N ATOM 1312 CA THR A 111 -2.667 8.159 -1.125 1.00 0.00 C ATOM 1313 C THR A 111 -1.426 8.541 -0.324 1.00 0.00 C ATOM 1314 O THR A 111 -1.334 9.634 0.196 1.00 0.00 O ATOM 1315 CB THR A 111 -3.783 7.717 -0.177 1.00 0.00 C ATOM 1316 OG1 THR A 111 -3.520 6.398 0.280 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.115 7.747 -0.927 1.00 0.00 C ATOM 0 H THR A 111 -2.806 6.160 -1.854 1.00 0.00 H new ATOM 0 HA THR A 111 -2.989 9.032 -1.693 1.00 0.00 H new ATOM 0 HB THR A 111 -3.830 8.390 0.679 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.349 5.996 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.916 7.433 -0.258 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.312 8.760 -1.279 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.068 7.070 -1.780 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.463 7.670 -0.223 1.00 0.00 N ATOM 1326 CA GLY A 112 0.759 8.042 0.547 1.00 0.00 C ATOM 1327 C GLY A 112 1.773 6.903 0.548 1.00 0.00 C ATOM 1328 O GLY A 112 1.732 6.011 -0.277 1.00 0.00 O ATOM 0 H GLY A 112 -0.465 6.735 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.210 8.934 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.485 8.291 1.572 1.00 0.00 H new ATOM 1332 N TYR A 113 2.694 6.942 1.472 1.00 0.00 N ATOM 1333 CA TYR A 113 3.732 5.899 1.552 1.00 0.00 C ATOM 1334 C TYR A 113 4.798 6.335 2.557 1.00 0.00 C ATOM 1335 O TYR A 113 5.286 7.446 2.506 1.00 0.00 O ATOM 1336 CB TYR A 113 4.396 5.753 0.199 1.00 0.00 C ATOM 1337 CG TYR A 113 4.807 7.116 -0.306 1.00 0.00 C ATOM 1338 CD1 TYR A 113 6.045 7.655 0.063 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.950 7.841 -1.143 1.00 0.00 C ATOM 1340 CE1 TYR A 113 6.426 8.916 -0.402 1.00 0.00 C ATOM 1341 CE2 TYR A 113 4.332 9.103 -1.609 1.00 0.00 C ATOM 1342 CZ TYR A 113 5.570 9.642 -1.240 1.00 0.00 C ATOM 1343 OH TYR A 113 5.946 10.887 -1.701 1.00 0.00 O ATOM 0 H TYR A 113 2.764 7.670 2.183 1.00 0.00 H new ATOM 0 HA TYR A 113 3.278 4.956 1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 113 5.268 5.104 0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.711 5.283 -0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.706 7.095 0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.995 7.426 -1.428 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.381 9.331 -0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.671 9.662 -2.254 1.00 0.00 H new ATOM 0 HH TYR A 113 5.527 11.054 -2.571 1.00 0.00 H new ATOM 1353 N GLN A 114 5.202 5.470 3.438 1.00 0.00 N ATOM 1354 CA GLN A 114 6.281 5.853 4.390 1.00 0.00 C ATOM 1355 C GLN A 114 7.575 5.333 3.791 1.00 0.00 C ATOM 1356 O GLN A 114 7.803 4.148 3.724 1.00 0.00 O ATOM 1357 CB GLN A 114 6.050 5.226 5.771 1.00 0.00 C ATOM 1358 CG GLN A 114 4.552 5.107 6.033 1.00 0.00 C ATOM 1359 CD GLN A 114 3.959 6.495 6.283 1.00 0.00 C ATOM 1360 OE1 GLN A 114 4.552 7.494 5.930 1.00 0.00 O ATOM 1361 NE2 GLN A 114 2.802 6.599 6.882 1.00 0.00 N ATOM 0 H GLN A 114 4.838 4.523 3.542 1.00 0.00 H new ATOM 0 HA GLN A 114 6.305 6.933 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.517 4.242 5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.517 5.838 6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.060 4.639 5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.374 4.464 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.304 5.760 7.178 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.397 7.519 7.053 1.00 0.00 H new ATOM 1370 N VAL A 115 8.404 6.191 3.295 1.00 0.00 N ATOM 1371 CA VAL A 115 9.628 5.698 2.646 1.00 0.00 C ATOM 1372 C VAL A 115 10.560 5.040 3.654 1.00 0.00 C ATOM 1373 O VAL A 115 10.503 5.278 4.843 1.00 0.00 O ATOM 1374 CB VAL A 115 10.319 6.862 1.951 1.00 0.00 C ATOM 1375 CG1 VAL A 115 11.247 7.572 2.924 1.00 0.00 C ATOM 1376 CG2 VAL A 115 11.119 6.342 0.769 1.00 0.00 C ATOM 0 H VAL A 115 8.287 7.204 3.311 1.00 0.00 H new ATOM 0 HA VAL A 115 9.362 4.939 1.911 1.00 0.00 H new ATOM 0 HB VAL A 115 9.566 7.568 1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.737 8.404 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.669 7.950 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 115 12.000 6.872 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 115 11.614 7.175 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.868 5.632 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.450 5.845 0.067 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.419 4.209 3.154 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.391 3.495 4.028 1.00 0.00 C ATOM 1388 C ASP A 115A 11.710 3.012 5.316 1.00 0.00 C ATOM 1389 O ASP A 115A 12.304 3.025 6.375 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.542 4.437 4.390 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.775 3.615 4.771 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.696 2.880 5.741 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.778 3.734 4.086 1.00 0.00 O ATOM 0 H ASP A 115A 11.494 3.987 2.161 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.773 2.630 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.772 5.088 3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 13.251 5.081 5.220 1.00 0.00 H new ATOM 1398 N LYS A 116 10.480 2.561 5.247 1.00 0.00 N ATOM 1399 CA LYS A 116 9.815 2.064 6.480 1.00 0.00 C ATOM 1400 C LYS A 116 10.290 0.631 6.727 1.00 0.00 C ATOM 1401 O LYS A 116 11.216 0.168 6.091 1.00 0.00 O ATOM 1402 CB LYS A 116 8.292 2.099 6.305 1.00 0.00 C ATOM 1403 CG LYS A 116 7.664 2.824 7.492 1.00 0.00 C ATOM 1404 CD LYS A 116 8.290 4.212 7.645 1.00 0.00 C ATOM 1405 CE LYS A 116 9.221 4.224 8.859 1.00 0.00 C ATOM 1406 NZ LYS A 116 8.633 5.086 9.925 1.00 0.00 N ATOM 0 H LYS A 116 9.918 2.518 4.397 1.00 0.00 H new ATOM 0 HA LYS A 116 10.071 2.695 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.033 2.606 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.899 1.085 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.588 2.915 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.814 2.245 8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.847 4.472 6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 116 7.509 4.963 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 116 9.363 3.210 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.204 4.599 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.335 5.233 10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.363 6.005 9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.791 4.622 10.322 1.00 0.00 H new ATOM 1420 N ASN A 117 9.688 -0.081 7.639 1.00 0.00 N ATOM 1421 CA ASN A 117 10.156 -1.474 7.890 1.00 0.00 C ATOM 1422 C ASN A 117 8.990 -2.367 8.317 1.00 0.00 C ATOM 1423 O ASN A 117 7.849 -1.950 8.352 1.00 0.00 O ATOM 1424 CB ASN A 117 11.215 -1.459 8.992 1.00 0.00 C ATOM 1425 CG ASN A 117 12.332 -0.486 8.609 1.00 0.00 C ATOM 1426 OD1 ASN A 117 13.000 -0.673 7.612 1.00 0.00 O ATOM 1427 ND2 ASN A 117 12.563 0.554 9.362 1.00 0.00 N ATOM 0 H ASN A 117 8.906 0.234 8.213 1.00 0.00 H new ATOM 0 HA ASN A 117 10.581 -1.873 6.969 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.766 -1.160 9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.622 -2.460 9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.304 1.209 9.113 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.003 0.712 10.199 1.00 0.00 H new ATOM 1434 N LYS A 118 9.279 -3.600 8.638 1.00 0.00 N ATOM 1435 CA LYS A 118 8.204 -4.541 9.063 1.00 0.00 C ATOM 1436 C LYS A 118 7.763 -4.201 10.485 1.00 0.00 C ATOM 1437 O LYS A 118 6.587 -4.118 10.776 1.00 0.00 O ATOM 1438 CB LYS A 118 8.739 -5.974 9.025 1.00 0.00 C ATOM 1439 CG LYS A 118 7.571 -6.954 9.138 1.00 0.00 C ATOM 1440 CD LYS A 118 7.933 -8.074 10.118 1.00 0.00 C ATOM 1441 CE LYS A 118 9.262 -8.707 9.703 1.00 0.00 C ATOM 1442 NZ LYS A 118 9.210 -9.073 8.258 1.00 0.00 N ATOM 0 H LYS A 118 10.218 -3.997 8.624 1.00 0.00 H new ATOM 0 HA LYS A 118 7.353 -4.451 8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 118 9.284 -6.146 8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 118 9.442 -6.133 9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.677 -6.432 9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.340 -7.374 8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.008 -7.676 11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 118 7.147 -8.829 10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.081 -8.010 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.459 -9.593 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 9.869 -9.857 8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.244 -9.367 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.481 -8.251 7.682 1.00 0.00 H new ATOM 1456 N ASP A 119 8.696 -3.989 11.375 1.00 0.00 N ATOM 1457 CA ASP A 119 8.315 -3.642 12.772 1.00 0.00 C ATOM 1458 C ASP A 119 7.255 -2.543 12.725 1.00 0.00 C ATOM 1459 O ASP A 119 6.463 -2.386 13.633 1.00 0.00 O ATOM 1460 CB ASP A 119 9.546 -3.140 13.532 1.00 0.00 C ATOM 1461 CG ASP A 119 9.332 -3.333 15.034 1.00 0.00 C ATOM 1462 OD1 ASP A 119 9.485 -4.451 15.497 1.00 0.00 O ATOM 1463 OD2 ASP A 119 9.022 -2.357 15.699 1.00 0.00 O ATOM 0 H ASP A 119 9.699 -4.041 11.195 1.00 0.00 H new ATOM 0 HA ASP A 119 7.920 -4.521 13.282 1.00 0.00 H new ATOM 0 HB2 ASP A 119 10.433 -3.683 13.208 1.00 0.00 H new ATOM 0 HB3 ASP A 119 9.719 -2.087 13.311 1.00 0.00 H new ATOM 1468 N ASP A 120 7.237 -1.787 11.662 1.00 0.00 N ATOM 1469 CA ASP A 120 6.233 -0.699 11.529 1.00 0.00 C ATOM 1470 C ASP A 120 4.920 -1.281 11.002 1.00 0.00 C ATOM 1471 O ASP A 120 4.492 -0.974 9.909 1.00 0.00 O ATOM 1472 CB ASP A 120 6.757 0.352 10.547 1.00 0.00 C ATOM 1473 CG ASP A 120 6.038 1.682 10.783 1.00 0.00 C ATOM 1474 OD1 ASP A 120 5.060 1.684 11.511 1.00 0.00 O ATOM 1475 OD2 ASP A 120 6.478 2.677 10.230 1.00 0.00 O ATOM 0 H ASP A 120 7.880 -1.879 10.876 1.00 0.00 H new ATOM 0 HA ASP A 120 6.060 -0.237 12.501 1.00 0.00 H new ATOM 0 HB2 ASP A 120 7.832 0.481 10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.597 0.018 9.522 1.00 0.00 H new ATOM 1480 N GLU A 121 4.266 -2.113 11.766 1.00 0.00 N ATOM 1481 CA GLU A 121 2.979 -2.684 11.286 1.00 0.00 C ATOM 1482 C GLU A 121 2.004 -1.532 11.065 1.00 0.00 C ATOM 1483 O GLU A 121 1.475 -0.983 12.009 1.00 0.00 O ATOM 1484 CB GLU A 121 2.407 -3.643 12.333 1.00 0.00 C ATOM 1485 CG GLU A 121 1.238 -4.421 11.722 1.00 0.00 C ATOM 1486 CD GLU A 121 0.049 -4.403 12.686 1.00 0.00 C ATOM 1487 OE1 GLU A 121 0.263 -4.637 13.865 1.00 0.00 O ATOM 1488 OE2 GLU A 121 -1.055 -4.155 12.229 1.00 0.00 O ATOM 0 H GLU A 121 4.564 -2.419 12.692 1.00 0.00 H new ATOM 0 HA GLU A 121 3.138 -3.235 10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.180 -4.333 12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.071 -3.086 13.208 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.952 -3.978 10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.539 -5.449 11.519 1.00 0.00 H new ATOM 1495 N LEU A 122 1.789 -1.155 9.825 1.00 0.00 N ATOM 1496 CA LEU A 122 0.866 -0.017 9.502 1.00 0.00 C ATOM 1497 C LEU A 122 -0.182 0.140 10.598 1.00 0.00 C ATOM 1498 O LEU A 122 -1.167 -0.570 10.669 1.00 0.00 O ATOM 1499 CB LEU A 122 0.237 -0.267 8.136 1.00 0.00 C ATOM 1500 CG LEU A 122 1.398 -0.419 7.160 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.643 -1.888 6.866 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.128 0.299 5.853 1.00 0.00 C ATOM 0 H LEU A 122 2.220 -1.594 9.012 1.00 0.00 H new ATOM 0 HA LEU A 122 1.421 0.920 9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.381 -1.165 8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.410 0.561 7.847 1.00 0.00 H new ATOM 0 HG LEU A 122 2.276 0.026 7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.474 -1.986 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.884 -2.409 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.747 -2.325 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.978 0.168 5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.233 -0.115 5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.979 1.361 6.046 1.00 0.00 H new ATOM 1514 N THR A 123 0.082 1.061 11.477 1.00 0.00 N ATOM 1515 CA THR A 123 -0.809 1.312 12.644 1.00 0.00 C ATOM 1516 C THR A 123 -1.561 2.630 12.456 1.00 0.00 C ATOM 1517 O THR A 123 -2.444 2.969 13.219 1.00 0.00 O ATOM 1518 CB THR A 123 0.055 1.390 13.920 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.402 2.460 14.734 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.536 1.623 13.554 1.00 0.00 C ATOM 0 H THR A 123 0.901 1.668 11.435 1.00 0.00 H new ATOM 0 HA THR A 123 -1.534 0.503 12.730 1.00 0.00 H new ATOM 0 HB THR A 123 -0.031 0.448 14.462 1.00 0.00 H new ATOM 0 HG1 THR A 123 0.145 2.510 15.546 1.00 0.00 H new ATOM 0 HG21 THR A 123 2.132 1.676 14.465 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.892 0.799 12.935 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.632 2.559 13.003 1.00 0.00 H new ATOM 1528 N GLY A 124 -1.214 3.378 11.450 1.00 0.00 N ATOM 1529 CA GLY A 124 -1.898 4.677 11.208 1.00 0.00 C ATOM 1530 C GLY A 124 -1.191 5.392 10.063 1.00 0.00 C ATOM 1531 O GLY A 124 -0.084 5.872 10.202 1.00 0.00 O ATOM 0 H GLY A 124 -0.481 3.145 10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -2.947 4.512 10.961 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -1.875 5.290 12.109 1.00 0.00 H new ATOM 1535 N PHE A 125 -1.812 5.445 8.923 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.167 6.103 7.759 1.00 0.00 C ATOM 1537 C PHE A 125 -1.736 7.513 7.584 1.00 0.00 C ATOM 1538 O PHE A 125 -0.952 8.446 7.539 1.00 0.00 O ATOM 1539 CB PHE A 125 -1.460 5.270 6.516 1.00 0.00 C ATOM 1540 CG PHE A 125 -0.214 5.153 5.681 1.00 0.00 C ATOM 1541 CD1 PHE A 125 0.484 6.301 5.294 1.00 0.00 C ATOM 1542 CD2 PHE A 125 0.248 3.887 5.300 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.644 6.181 4.526 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.404 3.769 4.531 1.00 0.00 C ATOM 1545 CZ PHE A 125 2.101 4.919 4.144 1.00 0.00 C ATOM 1546 OXT PHE A 125 -2.948 7.634 7.499 1.00 0.00 O ATOM 0 H PHE A 125 -2.740 5.060 8.746 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.091 6.177 7.916 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.811 4.279 6.804 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.257 5.734 5.935 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.127 7.277 5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -0.292 3.002 5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.188 7.065 4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.761 2.794 4.235 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.997 4.830 3.547 1.00 0.00 H new