USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 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 49 GLN : amide:sc= -1.61 K(o=-1.6,f=-7.4!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -113:sc= 0.00801 (180deg=-0.000554) USER MOD Set 2.1: A 36 THR OG1 : rot -37:sc= -1.02! USER MOD Set 2.2: A 40 TYR OH : rot -135:sc= -4.64! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.24! USER MOD Single : A 22 GLN : amide:sc= -14.1! C(o=-14!,f=-7.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.16) USER MOD Single : A 37 ASN : amide:sc= -4.67! C(o=-4.7!,f=-5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.314 USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= -0.63 (180deg=-2.9!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 53 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.4!) USER MOD Single : A 58 THR OG1 : rot -31:sc= 0.251 USER MOD Single : A 59 ASN : amide:sc= -3.67! C(o=-3.7!,f=-7.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.334 USER MOD Single : A 61 TYR OH : rot -123:sc= -1.57! USER MOD Single : A 92 ASN : amide:sc= -0.0874 K(o=-0.087,f=-1.6!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -49:sc= -0.848 USER MOD Single : A 95 MET CE :methyl -153:sc= -14! (180deg=-19.1!) USER MOD Single : A 96 HIS : no HD1:sc= -13.5! C(o=-13!,f=-12!) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.163) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot -166:sc= -3.09! USER MOD Single : A 113 TYR OH : rot 40:sc= -3.21! USER MOD Single : A 114 GLN : amide:sc= -12.6! C(o=-13!,f=-20!) USER MOD Single : A 116 LYS NZ :NH3+ 159:sc= 0.0839 (180deg=0.0159) USER MOD Single : A 117 ASN : amide:sc= -0.0508 K(o=-0.051,f=-4.3!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 31:sc= 0.591 USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 11 -9.218 0.491 10.828 1.00 0.00 N ATOM 68 CA LEU A 11 -7.844 -0.071 10.896 1.00 0.00 C ATOM 69 C LEU A 11 -7.822 -1.403 11.631 1.00 0.00 C ATOM 70 O LEU A 11 -7.969 -1.481 12.835 1.00 0.00 O ATOM 71 CB LEU A 11 -6.931 0.925 11.586 1.00 0.00 C ATOM 72 CG LEU A 11 -6.291 1.752 10.492 1.00 0.00 C ATOM 73 CD1 LEU A 11 -6.264 3.233 10.891 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.867 1.244 10.249 1.00 0.00 C ATOM 0 HA LEU A 11 -7.493 -0.252 9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.495 1.558 12.271 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.173 0.411 12.177 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.874 1.655 9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.801 3.816 10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.283 3.585 11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.689 3.352 11.809 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.399 1.835 9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.286 1.337 11.167 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.901 0.198 9.945 1.00 0.00 H new ATOM 86 N SER A 12 -7.627 -2.451 10.888 1.00 0.00 N ATOM 87 CA SER A 12 -7.575 -3.812 11.489 1.00 0.00 C ATOM 88 C SER A 12 -6.119 -4.272 11.598 1.00 0.00 C ATOM 89 O SER A 12 -5.205 -3.576 11.201 1.00 0.00 O ATOM 90 CB SER A 12 -8.352 -4.785 10.602 1.00 0.00 C ATOM 91 OG SER A 12 -8.868 -5.839 11.401 1.00 0.00 O ATOM 0 H SER A 12 -7.500 -2.424 9.876 1.00 0.00 H new ATOM 0 HA SER A 12 -8.020 -3.787 12.484 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.166 -4.264 10.097 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.701 -5.187 9.826 1.00 0.00 H new ATOM 0 HG SER A 12 -9.368 -6.464 10.835 1.00 0.00 H new ATOM 97 N GLU A 13 -5.899 -5.447 12.122 1.00 0.00 N ATOM 98 CA GLU A 13 -4.527 -5.969 12.251 1.00 0.00 C ATOM 99 C GLU A 13 -3.889 -6.043 10.863 1.00 0.00 C ATOM 100 O GLU A 13 -4.464 -5.603 9.887 1.00 0.00 O ATOM 101 CB GLU A 13 -4.600 -7.361 12.870 1.00 0.00 C ATOM 102 CG GLU A 13 -3.943 -7.347 14.252 1.00 0.00 C ATOM 103 CD GLU A 13 -2.489 -7.806 14.139 1.00 0.00 C ATOM 104 OE1 GLU A 13 -1.683 -7.041 13.636 1.00 0.00 O ATOM 105 OE2 GLU A 13 -2.204 -8.914 14.564 1.00 0.00 O ATOM 0 H GLU A 13 -6.629 -6.070 12.469 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.924 -5.318 12.884 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.640 -7.678 12.954 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.098 -8.083 12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.985 -6.343 14.675 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.489 -8.002 14.931 1.00 0.00 H new ATOM 112 N ALA A 14 -2.709 -6.586 10.758 1.00 0.00 N ATOM 113 CA ALA A 14 -2.062 -6.665 9.414 1.00 0.00 C ATOM 114 C ALA A 14 -2.401 -7.974 8.730 1.00 0.00 C ATOM 115 O ALA A 14 -1.767 -8.982 8.970 1.00 0.00 O ATOM 116 CB ALA A 14 -0.539 -6.614 9.521 1.00 0.00 C ATOM 0 H ALA A 14 -2.169 -6.974 11.531 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.435 -5.813 8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.102 -6.674 8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.239 -5.679 9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.188 -7.453 10.122 1.00 0.00 H new ATOM 122 N LYS A 15 -3.320 -7.971 7.819 1.00 0.00 N ATOM 123 CA LYS A 15 -3.565 -9.230 7.089 1.00 0.00 C ATOM 124 C LYS A 15 -2.329 -9.374 6.220 1.00 0.00 C ATOM 125 O LYS A 15 -1.819 -8.383 5.742 1.00 0.00 O ATOM 126 CB LYS A 15 -4.828 -9.129 6.229 1.00 0.00 C ATOM 127 CG LYS A 15 -5.901 -10.068 6.784 1.00 0.00 C ATOM 128 CD LYS A 15 -6.634 -9.388 7.942 1.00 0.00 C ATOM 129 CE LYS A 15 -5.875 -9.639 9.248 1.00 0.00 C ATOM 130 NZ LYS A 15 -6.764 -10.351 10.210 1.00 0.00 N ATOM 0 H LYS A 15 -3.898 -7.174 7.553 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.726 -10.082 7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.196 -8.103 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.599 -9.391 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.609 -10.332 5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.444 -10.996 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.714 -8.317 7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.650 -9.775 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.982 -10.233 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.542 -8.693 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.249 -10.522 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.603 -9.768 10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.060 -11.260 9.801 1.00 0.00 H new ATOM 144 N PRO A 16 -1.830 -10.553 6.063 1.00 0.00 N ATOM 145 CA PRO A 16 -0.606 -10.734 5.286 1.00 0.00 C ATOM 146 C PRO A 16 -0.885 -10.426 3.812 1.00 0.00 C ATOM 147 O PRO A 16 -1.813 -10.941 3.221 1.00 0.00 O ATOM 148 CB PRO A 16 -0.229 -12.198 5.534 1.00 0.00 C ATOM 149 CG PRO A 16 -1.529 -12.902 5.997 1.00 0.00 C ATOM 150 CD PRO A 16 -2.427 -11.795 6.586 1.00 0.00 C ATOM 0 HA PRO A 16 0.210 -10.069 5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.162 -12.659 4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.549 -12.277 6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.021 -13.400 5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.314 -13.667 6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.463 -11.907 6.268 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.425 -11.814 7.676 1.00 0.00 H new ATOM 158 N ALA A 17 -0.107 -9.553 3.232 1.00 0.00 N ATOM 159 CA ALA A 17 -0.340 -9.156 1.816 1.00 0.00 C ATOM 160 C ALA A 17 -0.671 -10.356 0.933 1.00 0.00 C ATOM 161 O ALA A 17 -0.183 -11.454 1.116 1.00 0.00 O ATOM 162 CB ALA A 17 0.898 -8.462 1.259 1.00 0.00 C ATOM 0 H ALA A 17 0.685 -9.095 3.683 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.193 -8.478 1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.719 -8.175 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.113 -7.572 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.748 -9.142 1.305 1.00 0.00 H new ATOM 168 N THR A 18 -1.481 -10.109 -0.054 1.00 0.00 N ATOM 169 CA THR A 18 -1.872 -11.154 -1.034 1.00 0.00 C ATOM 170 C THR A 18 -1.461 -10.611 -2.400 1.00 0.00 C ATOM 171 O THR A 18 -0.769 -9.616 -2.452 1.00 0.00 O ATOM 172 CB THR A 18 -3.395 -11.372 -0.976 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.029 -10.600 -1.975 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.940 -10.930 0.368 1.00 0.00 C ATOM 0 H THR A 18 -1.901 -9.196 -0.227 1.00 0.00 H new ATOM 0 HA THR A 18 -1.395 -12.112 -0.828 1.00 0.00 H new ATOM 0 HB THR A 18 -3.591 -12.433 -1.129 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.997 -10.744 -1.934 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.018 -11.090 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.468 -11.510 1.161 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.727 -9.871 0.517 1.00 0.00 H new ATOM 182 N PRO A 19 -1.888 -11.219 -3.475 1.00 0.00 N ATOM 183 CA PRO A 19 -1.536 -10.701 -4.799 1.00 0.00 C ATOM 184 C PRO A 19 -2.307 -9.401 -5.053 1.00 0.00 C ATOM 185 O PRO A 19 -1.917 -8.583 -5.862 1.00 0.00 O ATOM 186 CB PRO A 19 -1.934 -11.825 -5.757 1.00 0.00 C ATOM 187 CG PRO A 19 -2.966 -12.693 -5.003 1.00 0.00 C ATOM 188 CD PRO A 19 -2.735 -12.438 -3.500 1.00 0.00 C ATOM 0 HA PRO A 19 -0.482 -10.449 -4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.362 -11.421 -6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.065 -12.416 -6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.983 -12.425 -5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.835 -13.748 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.675 -12.283 -2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.236 -13.282 -3.023 1.00 0.00 H new ATOM 196 N GLU A 20 -3.379 -9.182 -4.332 1.00 0.00 N ATOM 197 CA GLU A 20 -4.145 -7.918 -4.517 1.00 0.00 C ATOM 198 C GLU A 20 -3.471 -6.817 -3.709 1.00 0.00 C ATOM 199 O GLU A 20 -3.274 -5.715 -4.181 1.00 0.00 O ATOM 200 CB GLU A 20 -5.583 -8.102 -4.035 1.00 0.00 C ATOM 201 CG GLU A 20 -6.501 -7.145 -4.796 1.00 0.00 C ATOM 202 CD GLU A 20 -7.946 -7.351 -4.339 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.308 -6.787 -3.320 1.00 0.00 O ATOM 204 OE2 GLU A 20 -8.664 -8.066 -5.016 1.00 0.00 O ATOM 0 H GLU A 20 -3.752 -9.820 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.162 -7.650 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.902 -9.132 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.647 -7.910 -2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.196 -6.114 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.419 -7.322 -5.868 1.00 0.00 H new ATOM 211 N ILE A 21 -3.091 -7.118 -2.503 1.00 0.00 N ATOM 212 CA ILE A 21 -2.396 -6.104 -1.672 1.00 0.00 C ATOM 213 C ILE A 21 -1.144 -5.690 -2.425 1.00 0.00 C ATOM 214 O ILE A 21 -0.896 -4.526 -2.674 1.00 0.00 O ATOM 215 CB ILE A 21 -2.026 -6.742 -0.331 1.00 0.00 C ATOM 216 CG1 ILE A 21 -3.266 -7.428 0.251 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.535 -5.665 0.640 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.490 -6.546 0.025 1.00 0.00 C ATOM 0 H ILE A 21 -3.232 -8.024 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.025 -5.234 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.232 -7.473 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.413 -8.399 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.127 -7.610 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.273 -6.126 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.657 -5.171 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.324 -4.930 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.372 -7.035 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.342 -5.585 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.632 -6.387 -1.044 1.00 0.00 H new ATOM 230 N GLN A 22 -0.376 -6.655 -2.814 1.00 0.00 N ATOM 231 CA GLN A 22 0.859 -6.362 -3.592 1.00 0.00 C ATOM 232 C GLN A 22 0.449 -5.744 -4.939 1.00 0.00 C ATOM 233 O GLN A 22 1.239 -5.108 -5.602 1.00 0.00 O ATOM 234 CB GLN A 22 1.684 -7.656 -3.777 1.00 0.00 C ATOM 235 CG GLN A 22 2.099 -7.860 -5.242 1.00 0.00 C ATOM 236 CD GLN A 22 3.141 -6.811 -5.668 1.00 0.00 C ATOM 237 OE1 GLN A 22 3.659 -6.880 -6.764 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.476 -5.835 -4.857 1.00 0.00 N ATOM 0 H GLN A 22 -0.546 -7.643 -2.628 1.00 0.00 H new ATOM 0 HA GLN A 22 1.491 -5.651 -3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.574 -7.613 -3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.098 -8.512 -3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.511 -8.861 -5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.222 -7.790 -5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.046 -5.768 -3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.166 -5.143 -5.149 1.00 0.00 H new ATOM 247 N GLU A 23 -0.784 -5.904 -5.345 1.00 0.00 N ATOM 248 CA GLU A 23 -1.212 -5.282 -6.631 1.00 0.00 C ATOM 249 C GLU A 23 -1.419 -3.783 -6.401 1.00 0.00 C ATOM 250 O GLU A 23 -1.199 -2.974 -7.275 1.00 0.00 O ATOM 251 CB GLU A 23 -2.522 -5.905 -7.117 1.00 0.00 C ATOM 252 CG GLU A 23 -2.719 -5.587 -8.600 1.00 0.00 C ATOM 253 CD GLU A 23 -1.597 -6.233 -9.415 1.00 0.00 C ATOM 254 OE1 GLU A 23 -0.804 -6.951 -8.829 1.00 0.00 O ATOM 255 OE2 GLU A 23 -1.550 -5.999 -10.612 1.00 0.00 O ATOM 0 H GLU A 23 -1.503 -6.431 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.445 -5.451 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.502 -6.984 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.359 -5.517 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.687 -5.958 -8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.720 -4.508 -8.754 1.00 0.00 H new ATOM 262 N ILE A 24 -1.820 -3.418 -5.215 1.00 0.00 N ATOM 263 CA ILE A 24 -2.028 -1.977 -4.879 1.00 0.00 C ATOM 264 C ILE A 24 -0.672 -1.294 -4.836 1.00 0.00 C ATOM 265 O ILE A 24 -0.449 -0.269 -5.448 1.00 0.00 O ATOM 266 CB ILE A 24 -2.671 -1.893 -3.495 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.130 -2.343 -3.579 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.610 -0.457 -2.982 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.442 -3.249 -2.388 1.00 0.00 C ATOM 0 H ILE A 24 -2.016 -4.065 -4.452 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.667 -1.496 -5.620 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.129 -2.543 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.792 -1.477 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.306 -2.876 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.070 -0.403 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.570 -0.138 -2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.147 0.198 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.481 -3.574 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.787 -4.120 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.280 -2.699 -1.461 1.00 0.00 H new ATOM 281 N VAL A 25 0.230 -1.873 -4.112 1.00 0.00 N ATOM 282 CA VAL A 25 1.587 -1.308 -3.989 1.00 0.00 C ATOM 283 C VAL A 25 2.252 -1.294 -5.354 1.00 0.00 C ATOM 284 O VAL A 25 2.878 -0.336 -5.756 1.00 0.00 O ATOM 285 CB VAL A 25 2.366 -2.221 -3.080 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.372 -3.591 -3.690 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.794 -1.759 -2.968 1.00 0.00 C ATOM 0 H VAL A 25 0.079 -2.735 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 25 1.550 -0.292 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 25 1.906 -2.221 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.931 -4.272 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.347 -3.948 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.842 -3.550 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.343 -2.430 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.256 -1.763 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.819 -0.748 -2.560 1.00 0.00 H new ATOM 297 N ASP A 26 2.096 -2.365 -6.067 1.00 0.00 N ATOM 298 CA ASP A 26 2.687 -2.461 -7.426 1.00 0.00 C ATOM 299 C ASP A 26 1.843 -1.596 -8.348 1.00 0.00 C ATOM 300 O ASP A 26 2.270 -1.181 -9.407 1.00 0.00 O ATOM 301 CB ASP A 26 2.660 -3.915 -7.901 1.00 0.00 C ATOM 302 CG ASP A 26 3.162 -3.992 -9.343 1.00 0.00 C ATOM 303 OD1 ASP A 26 4.250 -3.502 -9.597 1.00 0.00 O ATOM 304 OD2 ASP A 26 2.451 -4.541 -10.169 1.00 0.00 O ATOM 0 H ASP A 26 1.578 -3.190 -5.764 1.00 0.00 H new ATOM 0 HA ASP A 26 3.723 -2.123 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.285 -4.531 -7.254 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.646 -4.311 -7.836 1.00 0.00 H new ATOM 309 N LYS A 27 0.649 -1.296 -7.920 1.00 0.00 N ATOM 310 CA LYS A 27 -0.240 -0.419 -8.736 1.00 0.00 C ATOM 311 C LYS A 27 0.135 1.033 -8.443 1.00 0.00 C ATOM 312 O LYS A 27 -0.269 1.948 -9.133 1.00 0.00 O ATOM 313 CB LYS A 27 -1.708 -0.654 -8.357 1.00 0.00 C ATOM 314 CG LYS A 27 -2.312 -1.724 -9.271 1.00 0.00 C ATOM 315 CD LYS A 27 -3.483 -1.127 -10.053 1.00 0.00 C ATOM 316 CE LYS A 27 -4.761 -1.899 -9.722 1.00 0.00 C ATOM 317 NZ LYS A 27 -5.763 -1.691 -10.805 1.00 0.00 N ATOM 0 H LYS A 27 0.249 -1.620 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.116 -0.644 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.779 -0.969 -7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.270 0.275 -8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.555 -2.099 -9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.652 -2.573 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.605 -0.074 -9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.282 -1.176 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.540 -2.961 -9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.166 -1.561 -8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.632 -2.216 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.982 -0.677 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.375 -2.034 -11.707 1.00 0.00 H new ATOM 331 N VAL A 28 0.911 1.243 -7.413 1.00 0.00 N ATOM 332 CA VAL A 28 1.327 2.623 -7.048 1.00 0.00 C ATOM 333 C VAL A 28 2.849 2.751 -7.184 1.00 0.00 C ATOM 334 O VAL A 28 3.401 3.828 -7.085 1.00 0.00 O ATOM 335 CB VAL A 28 0.902 2.904 -5.606 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.626 2.880 -5.518 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.478 1.829 -4.680 1.00 0.00 C ATOM 0 H VAL A 28 1.276 0.509 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 28 0.852 3.345 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 28 1.275 3.882 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.935 3.080 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.040 3.643 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.993 1.900 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.173 2.032 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.105 0.850 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.566 1.838 -4.744 1.00 0.00 H new ATOM 347 N LYS A 29 3.528 1.657 -7.417 1.00 0.00 N ATOM 348 CA LYS A 29 5.009 1.704 -7.571 1.00 0.00 C ATOM 349 C LYS A 29 5.421 2.916 -8.425 1.00 0.00 C ATOM 350 O LYS A 29 6.290 3.667 -8.027 1.00 0.00 O ATOM 351 CB LYS A 29 5.493 0.402 -8.224 1.00 0.00 C ATOM 352 CG LYS A 29 6.889 0.601 -8.819 1.00 0.00 C ATOM 353 CD LYS A 29 7.536 -0.762 -9.060 1.00 0.00 C ATOM 354 CE LYS A 29 6.913 -1.407 -10.298 1.00 0.00 C ATOM 355 NZ LYS A 29 7.584 -0.880 -11.520 1.00 0.00 N ATOM 0 H LYS A 29 3.115 0.729 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 29 5.470 1.807 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.515 -0.399 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.796 0.096 -9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.822 1.155 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.504 1.193 -8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.611 -0.647 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.393 -1.404 -8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.019 -2.491 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.845 -1.193 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.162 -1.317 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.461 0.152 -11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.599 -1.106 -11.484 1.00 0.00 H new ATOM 369 N PRO A 30 4.799 3.086 -9.573 1.00 0.00 N ATOM 370 CA PRO A 30 5.119 4.216 -10.463 1.00 0.00 C ATOM 371 C PRO A 30 4.586 5.518 -9.867 1.00 0.00 C ATOM 372 O PRO A 30 5.201 6.560 -9.982 1.00 0.00 O ATOM 373 CB PRO A 30 4.422 3.858 -11.779 1.00 0.00 C ATOM 374 CG PRO A 30 3.310 2.849 -11.418 1.00 0.00 C ATOM 375 CD PRO A 30 3.730 2.198 -10.086 1.00 0.00 C ATOM 0 HA PRO A 30 6.189 4.371 -10.604 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.003 4.746 -12.252 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.127 3.423 -12.487 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.347 3.351 -11.319 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.199 2.097 -12.200 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.893 2.138 -9.390 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.094 1.181 -10.236 1.00 0.00 H new ATOM 383 N GLN A 31 3.466 5.465 -9.204 1.00 0.00 N ATOM 384 CA GLN A 31 2.925 6.699 -8.574 1.00 0.00 C ATOM 385 C GLN A 31 3.686 6.956 -7.273 1.00 0.00 C ATOM 386 O GLN A 31 3.429 7.909 -6.565 1.00 0.00 O ATOM 387 CB GLN A 31 1.437 6.516 -8.269 1.00 0.00 C ATOM 388 CG GLN A 31 0.676 6.273 -9.573 1.00 0.00 C ATOM 389 CD GLN A 31 -0.802 6.033 -9.264 1.00 0.00 C ATOM 390 OE1 GLN A 31 -1.666 6.636 -9.870 1.00 0.00 O ATOM 391 NE2 GLN A 31 -1.133 5.173 -8.339 1.00 0.00 N ATOM 0 H GLN A 31 2.904 4.624 -9.072 1.00 0.00 H new ATOM 0 HA GLN A 31 3.045 7.544 -9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.295 5.675 -7.590 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.046 7.401 -7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.785 7.132 -10.236 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.094 5.412 -10.095 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.408 4.667 -7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.116 5.007 -8.125 1.00 0.00 H new ATOM 400 N LEU A 32 4.624 6.104 -6.955 1.00 0.00 N ATOM 401 CA LEU A 32 5.409 6.281 -5.709 1.00 0.00 C ATOM 402 C LEU A 32 6.759 6.909 -6.046 1.00 0.00 C ATOM 403 O LEU A 32 7.247 7.771 -5.350 1.00 0.00 O ATOM 404 CB LEU A 32 5.630 4.921 -5.064 1.00 0.00 C ATOM 405 CG LEU A 32 4.651 4.768 -3.909 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.560 3.304 -3.519 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.137 5.584 -2.712 1.00 0.00 C ATOM 0 H LEU A 32 4.878 5.288 -7.512 1.00 0.00 H new ATOM 0 HA LEU A 32 4.869 6.931 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.480 4.127 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.656 4.834 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 32 3.669 5.128 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.859 3.191 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.212 2.721 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.543 2.947 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.434 5.473 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.119 5.227 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.205 6.635 -2.992 1.00 0.00 H new ATOM 419 N GLU A 33 7.368 6.474 -7.111 1.00 0.00 N ATOM 420 CA GLU A 33 8.692 7.033 -7.500 1.00 0.00 C ATOM 421 C GLU A 33 8.575 8.542 -7.732 1.00 0.00 C ATOM 422 O GLU A 33 9.411 9.310 -7.304 1.00 0.00 O ATOM 423 CB GLU A 33 9.166 6.360 -8.790 1.00 0.00 C ATOM 424 CG GLU A 33 9.436 4.878 -8.524 1.00 0.00 C ATOM 425 CD GLU A 33 10.157 4.267 -9.726 1.00 0.00 C ATOM 426 OE1 GLU A 33 9.609 4.323 -10.815 1.00 0.00 O ATOM 427 OE2 GLU A 33 11.248 3.751 -9.539 1.00 0.00 O ATOM 0 H GLU A 33 7.005 5.752 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 33 9.408 6.847 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.410 6.469 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.071 6.846 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.043 4.764 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.498 4.353 -8.344 1.00 0.00 H new ATOM 434 N GLU A 34 7.553 8.969 -8.417 1.00 0.00 N ATOM 435 CA GLU A 34 7.389 10.426 -8.691 1.00 0.00 C ATOM 436 C GLU A 34 7.271 11.208 -7.379 1.00 0.00 C ATOM 437 O GLU A 34 7.901 12.231 -7.200 1.00 0.00 O ATOM 438 CB GLU A 34 6.128 10.649 -9.526 1.00 0.00 C ATOM 439 CG GLU A 34 6.519 11.055 -10.947 1.00 0.00 C ATOM 440 CD GLU A 34 5.267 11.456 -11.728 1.00 0.00 C ATOM 441 OE1 GLU A 34 4.480 10.578 -12.040 1.00 0.00 O ATOM 442 OE2 GLU A 34 5.115 12.636 -11.999 1.00 0.00 O ATOM 0 H GLU A 34 6.821 8.371 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 34 8.264 10.780 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.529 9.739 -9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.511 11.425 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.224 11.886 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.023 10.228 -11.447 1.00 0.00 H new ATOM 449 N LYS A 35 6.463 10.748 -6.467 1.00 0.00 N ATOM 450 CA LYS A 35 6.301 11.484 -5.181 1.00 0.00 C ATOM 451 C LYS A 35 7.568 11.344 -4.334 1.00 0.00 C ATOM 452 O LYS A 35 8.266 12.306 -4.082 1.00 0.00 O ATOM 453 CB LYS A 35 5.110 10.911 -4.416 1.00 0.00 C ATOM 454 CG LYS A 35 3.987 11.949 -4.371 1.00 0.00 C ATOM 455 CD LYS A 35 3.988 12.647 -3.010 1.00 0.00 C ATOM 456 CE LYS A 35 3.608 14.118 -3.192 1.00 0.00 C ATOM 457 NZ LYS A 35 2.242 14.208 -3.782 1.00 0.00 N ATOM 0 H LYS A 35 5.908 9.896 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 35 6.129 12.540 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.758 9.999 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.410 10.640 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.123 12.681 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.025 11.466 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.282 12.158 -2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.973 12.569 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.636 14.634 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.330 14.614 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.887 15.181 -3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.281 13.948 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.604 13.557 -3.281 1.00 0.00 H new ATOM 471 N THR A 36 7.867 10.156 -3.887 1.00 0.00 N ATOM 472 CA THR A 36 9.083 9.954 -3.048 1.00 0.00 C ATOM 473 C THR A 36 10.351 10.123 -3.895 1.00 0.00 C ATOM 474 O THR A 36 11.452 10.013 -3.393 1.00 0.00 O ATOM 475 CB THR A 36 9.055 8.548 -2.445 1.00 0.00 C ATOM 476 OG1 THR A 36 10.190 8.372 -1.606 1.00 0.00 O ATOM 477 CG2 THR A 36 9.073 7.508 -3.567 1.00 0.00 C ATOM 0 H THR A 36 7.321 9.314 -4.067 1.00 0.00 H new ATOM 0 HA THR A 36 9.091 10.698 -2.252 1.00 0.00 H new ATOM 0 HB THR A 36 8.147 8.421 -1.855 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.964 8.824 -2.003 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.053 6.507 -3.136 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.200 7.646 -4.205 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.979 7.629 -4.161 1.00 0.00 H new ATOM 485 N ASN A 37 10.212 10.392 -5.170 1.00 0.00 N ATOM 486 CA ASN A 37 11.413 10.575 -6.038 1.00 0.00 C ATOM 487 C ASN A 37 12.483 9.538 -5.684 1.00 0.00 C ATOM 488 O ASN A 37 13.641 9.864 -5.512 1.00 0.00 O ATOM 489 CB ASN A 37 11.979 11.984 -5.840 1.00 0.00 C ATOM 490 CG ASN A 37 12.188 12.256 -4.349 1.00 0.00 C ATOM 491 OD1 ASN A 37 11.299 12.742 -3.678 1.00 0.00 O ATOM 492 ND2 ASN A 37 13.333 11.960 -3.798 1.00 0.00 N ATOM 0 H ASN A 37 9.316 10.493 -5.647 1.00 0.00 H new ATOM 0 HA ASN A 37 11.121 10.442 -7.080 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.925 12.084 -6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.296 12.722 -6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.482 12.137 -2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.079 11.552 -4.361 1.00 0.00 H new ATOM 499 N GLU A 38 12.108 8.292 -5.580 1.00 0.00 N ATOM 500 CA GLU A 38 13.109 7.240 -5.244 1.00 0.00 C ATOM 501 C GLU A 38 13.174 6.221 -6.385 1.00 0.00 C ATOM 502 O GLU A 38 12.383 6.258 -7.308 1.00 0.00 O ATOM 503 CB GLU A 38 12.697 6.534 -3.950 1.00 0.00 C ATOM 504 CG GLU A 38 13.647 6.938 -2.821 1.00 0.00 C ATOM 505 CD GLU A 38 13.780 5.783 -1.828 1.00 0.00 C ATOM 506 OE1 GLU A 38 13.825 4.647 -2.273 1.00 0.00 O ATOM 507 OE2 GLU A 38 13.836 6.052 -0.639 1.00 0.00 O ATOM 0 H GLU A 38 11.154 7.958 -5.713 1.00 0.00 H new ATOM 0 HA GLU A 38 14.088 7.699 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.672 6.799 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.721 5.453 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.625 7.195 -3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.269 7.826 -2.314 1.00 0.00 H new ATOM 514 N THR A 39 14.110 5.311 -6.335 1.00 0.00 N ATOM 515 CA THR A 39 14.216 4.298 -7.424 1.00 0.00 C ATOM 516 C THR A 39 13.202 3.187 -7.188 1.00 0.00 C ATOM 517 O THR A 39 12.693 2.579 -8.108 1.00 0.00 O ATOM 518 CB THR A 39 15.633 3.716 -7.448 1.00 0.00 C ATOM 519 OG1 THR A 39 15.848 3.051 -8.684 1.00 0.00 O ATOM 520 CG2 THR A 39 15.805 2.725 -6.297 1.00 0.00 C ATOM 0 H THR A 39 14.802 5.226 -5.591 1.00 0.00 H new ATOM 0 HA THR A 39 14.009 4.772 -8.383 1.00 0.00 H new ATOM 0 HB THR A 39 16.357 4.523 -7.336 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.755 2.679 -8.702 1.00 0.00 H new ATOM 0 HG21 THR A 39 16.814 2.314 -6.319 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.642 3.237 -5.349 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.082 1.916 -6.402 1.00 0.00 H new ATOM 528 N TYR A 40 12.900 2.947 -5.956 1.00 0.00 N ATOM 529 CA TYR A 40 11.912 1.900 -5.596 1.00 0.00 C ATOM 530 C TYR A 40 12.099 0.668 -6.483 1.00 0.00 C ATOM 531 O TYR A 40 13.091 0.525 -7.172 1.00 0.00 O ATOM 532 CB TYR A 40 10.513 2.475 -5.791 1.00 0.00 C ATOM 533 CG TYR A 40 10.103 3.264 -4.566 1.00 0.00 C ATOM 534 CD1 TYR A 40 11.073 3.753 -3.679 1.00 0.00 C ATOM 535 CD2 TYR A 40 8.748 3.516 -4.323 1.00 0.00 C ATOM 536 CE1 TYR A 40 10.686 4.490 -2.554 1.00 0.00 C ATOM 537 CE2 TYR A 40 8.361 4.251 -3.197 1.00 0.00 C ATOM 538 CZ TYR A 40 9.330 4.738 -2.314 1.00 0.00 C ATOM 539 OH TYR A 40 8.946 5.465 -1.205 1.00 0.00 O ATOM 0 H TYR A 40 13.303 3.442 -5.161 1.00 0.00 H new ATOM 0 HA TYR A 40 12.053 1.597 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.494 3.118 -6.671 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.801 1.669 -5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.119 3.561 -3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.999 3.142 -5.006 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.433 4.867 -1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.315 4.442 -3.010 1.00 0.00 H new ATOM 0 HH TYR A 40 8.185 5.024 -0.772 1.00 0.00 H new ATOM 549 N GLY A 43 11.158 -0.230 -6.457 1.00 0.00 N ATOM 550 CA GLY A 43 11.272 -1.463 -7.290 1.00 0.00 C ATOM 551 C GLY A 43 10.199 -2.472 -6.873 1.00 0.00 C ATOM 552 O GLY A 43 9.240 -2.132 -6.209 1.00 0.00 O ATOM 0 H GLY A 43 10.310 -0.166 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.158 -1.212 -8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.263 -1.902 -7.172 1.00 0.00 H new ATOM 556 N LYS A 44 10.359 -3.712 -7.257 1.00 0.00 N ATOM 557 CA LYS A 44 9.359 -4.754 -6.883 1.00 0.00 C ATOM 558 C LYS A 44 8.924 -4.544 -5.438 1.00 0.00 C ATOM 559 O LYS A 44 9.727 -4.622 -4.528 1.00 0.00 O ATOM 560 CB LYS A 44 9.998 -6.137 -7.004 1.00 0.00 C ATOM 561 CG LYS A 44 9.085 -7.061 -7.812 1.00 0.00 C ATOM 562 CD LYS A 44 9.918 -8.173 -8.451 1.00 0.00 C ATOM 563 CE LYS A 44 10.112 -7.876 -9.938 1.00 0.00 C ATOM 564 NZ LYS A 44 9.003 -8.497 -10.715 1.00 0.00 N ATOM 0 H LYS A 44 11.143 -4.048 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 44 8.497 -4.680 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.971 -6.057 -7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.170 -6.556 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.321 -7.491 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.566 -6.492 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.886 -8.247 -7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.420 -9.134 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.130 -6.799 -10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.071 -8.267 -10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.133 -8.296 -11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.006 -9.526 -10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.094 -8.103 -10.398 1.00 0.00 H new ATOM 578 N LEU A 45 7.669 -4.283 -5.202 1.00 0.00 N ATOM 579 CA LEU A 45 7.224 -4.080 -3.816 1.00 0.00 C ATOM 580 C LEU A 45 6.566 -5.371 -3.336 1.00 0.00 C ATOM 581 O LEU A 45 5.372 -5.549 -3.433 1.00 0.00 O ATOM 582 CB LEU A 45 6.257 -2.905 -3.811 1.00 0.00 C ATOM 583 CG LEU A 45 6.934 -1.748 -4.549 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.056 -0.492 -4.495 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.290 -1.474 -3.883 1.00 0.00 C ATOM 0 H LEU A 45 6.942 -4.204 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 45 8.049 -3.851 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.322 -3.176 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.010 -2.616 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 45 7.079 -2.014 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.552 0.322 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.095 -0.699 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.896 -0.204 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.788 -0.651 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.135 -1.208 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.911 -2.368 -3.942 1.00 0.00 H new ATOM 597 N GLU A 46 7.355 -6.287 -2.835 1.00 0.00 N ATOM 598 CA GLU A 46 6.795 -7.594 -2.367 1.00 0.00 C ATOM 599 C GLU A 46 5.967 -7.386 -1.105 1.00 0.00 C ATOM 600 O GLU A 46 6.444 -7.559 -0.001 1.00 0.00 O ATOM 601 CB GLU A 46 7.939 -8.563 -2.076 1.00 0.00 C ATOM 602 CG GLU A 46 8.641 -8.919 -3.387 1.00 0.00 C ATOM 603 CD GLU A 46 10.046 -9.448 -3.087 1.00 0.00 C ATOM 604 OE1 GLU A 46 10.608 -9.041 -2.085 1.00 0.00 O ATOM 605 OE2 GLU A 46 10.533 -10.250 -3.867 1.00 0.00 O ATOM 0 H GLU A 46 8.365 -6.187 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 46 6.155 -8.008 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.647 -8.111 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.555 -9.465 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.066 -9.671 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.701 -8.041 -4.030 1.00 0.00 H new ATOM 612 N ALA A 47 4.729 -7.009 -1.263 1.00 0.00 N ATOM 613 CA ALA A 47 3.858 -6.773 -0.080 1.00 0.00 C ATOM 614 C ALA A 47 4.094 -7.850 0.972 1.00 0.00 C ATOM 615 O ALA A 47 4.371 -8.996 0.674 1.00 0.00 O ATOM 616 CB ALA A 47 2.399 -6.777 -0.516 1.00 0.00 C ATOM 0 H ALA A 47 4.281 -6.854 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 47 4.101 -5.804 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.760 -6.604 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.236 -5.988 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.155 -7.742 -0.960 1.00 0.00 H new ATOM 622 N VAL A 48 3.999 -7.463 2.206 1.00 0.00 N ATOM 623 CA VAL A 48 4.224 -8.404 3.330 1.00 0.00 C ATOM 624 C VAL A 48 2.969 -8.429 4.189 1.00 0.00 C ATOM 625 O VAL A 48 2.494 -9.467 4.608 1.00 0.00 O ATOM 626 CB VAL A 48 5.414 -7.873 4.147 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.189 -8.072 5.653 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.685 -8.601 3.722 1.00 0.00 C ATOM 0 H VAL A 48 3.769 -6.511 2.490 1.00 0.00 H new ATOM 0 HA VAL A 48 4.437 -9.413 2.976 1.00 0.00 H new ATOM 0 HB VAL A 48 5.511 -6.804 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.047 -7.687 6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.291 -7.537 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.069 -9.134 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.530 -8.226 4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.569 -9.670 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.866 -8.428 2.661 1.00 0.00 H new ATOM 638 N GLN A 49 2.444 -7.277 4.449 1.00 0.00 N ATOM 639 CA GLN A 49 1.221 -7.178 5.287 1.00 0.00 C ATOM 640 C GLN A 49 0.434 -5.965 4.829 1.00 0.00 C ATOM 641 O GLN A 49 0.912 -5.172 4.045 1.00 0.00 O ATOM 642 CB GLN A 49 1.612 -7.003 6.757 1.00 0.00 C ATOM 643 CG GLN A 49 2.263 -8.290 7.272 1.00 0.00 C ATOM 644 CD GLN A 49 3.095 -7.976 8.515 1.00 0.00 C ATOM 645 OE1 GLN A 49 4.222 -7.533 8.409 1.00 0.00 O ATOM 646 NE2 GLN A 49 2.583 -8.187 9.695 1.00 0.00 N ATOM 0 H GLN A 49 2.810 -6.386 4.115 1.00 0.00 H new ATOM 0 HA GLN A 49 0.623 -8.084 5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.303 -6.166 6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.730 -6.766 7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.497 -9.028 7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.895 -8.726 6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.637 -8.559 9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.128 -7.980 10.532 1.00 0.00 H new ATOM 655 N TYR A 50 -0.765 -5.800 5.292 1.00 0.00 N ATOM 656 CA TYR A 50 -1.534 -4.623 4.853 1.00 0.00 C ATOM 657 C TYR A 50 -2.732 -4.380 5.758 1.00 0.00 C ATOM 658 O TYR A 50 -3.440 -5.292 6.147 1.00 0.00 O ATOM 659 CB TYR A 50 -2.012 -4.838 3.445 1.00 0.00 C ATOM 660 CG TYR A 50 -2.996 -5.978 3.397 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.549 -7.294 3.539 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.359 -5.717 3.206 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.463 -8.352 3.488 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.273 -6.775 3.157 1.00 0.00 C ATOM 665 CZ TYR A 50 -4.825 -8.093 3.298 1.00 0.00 C ATOM 666 OH TYR A 50 -5.726 -9.137 3.247 1.00 0.00 O ATOM 0 H TYR A 50 -1.238 -6.422 5.947 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.883 -3.750 4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.480 -3.928 3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.164 -5.052 2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.498 -7.495 3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.704 -4.699 3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.117 -9.369 3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.324 -6.574 3.010 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.630 -8.783 3.111 1.00 0.00 H new ATOM 676 N LYS A 51 -2.969 -3.145 6.076 1.00 0.00 N ATOM 677 CA LYS A 51 -4.134 -2.796 6.937 1.00 0.00 C ATOM 678 C LYS A 51 -5.194 -2.086 6.082 1.00 0.00 C ATOM 679 O LYS A 51 -4.917 -1.105 5.418 1.00 0.00 O ATOM 680 CB LYS A 51 -3.681 -1.880 8.079 1.00 0.00 C ATOM 681 CG LYS A 51 -2.982 -2.715 9.152 1.00 0.00 C ATOM 682 CD LYS A 51 -2.782 -1.869 10.410 1.00 0.00 C ATOM 683 CE LYS A 51 -1.946 -2.654 11.421 1.00 0.00 C ATOM 684 NZ LYS A 51 -2.500 -2.449 12.788 1.00 0.00 N ATOM 0 H LYS A 51 -2.403 -2.352 5.776 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.560 -3.704 7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.004 -1.115 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.539 -1.362 8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.577 -3.598 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.019 -3.069 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.283 -0.933 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.747 -1.608 10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.953 -3.715 11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.908 -2.324 11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.720 -2.313 13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.112 -1.608 12.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.056 -3.283 13.066 1.00 0.00 H new ATOM 698 N THR A 52 -6.402 -2.584 6.086 1.00 0.00 N ATOM 699 CA THR A 52 -7.485 -1.953 5.270 1.00 0.00 C ATOM 700 C THR A 52 -7.976 -0.680 5.958 1.00 0.00 C ATOM 701 O THR A 52 -7.551 -0.343 7.046 1.00 0.00 O ATOM 702 CB THR A 52 -8.647 -2.939 5.134 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.968 -3.467 6.413 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.242 -4.078 4.197 1.00 0.00 C ATOM 0 H THR A 52 -6.688 -3.404 6.621 1.00 0.00 H new ATOM 0 HA THR A 52 -7.097 -1.699 4.283 1.00 0.00 H new ATOM 0 HB THR A 52 -9.516 -2.425 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.713 -4.098 6.329 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.069 -4.781 4.100 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.994 -3.672 3.216 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.374 -4.594 4.606 1.00 0.00 H new ATOM 712 N GLN A 53 -8.864 0.032 5.324 1.00 0.00 N ATOM 713 CA GLN A 53 -9.387 1.291 5.923 1.00 0.00 C ATOM 714 C GLN A 53 -10.815 1.527 5.438 1.00 0.00 C ATOM 715 O GLN A 53 -11.200 1.070 4.383 1.00 0.00 O ATOM 716 CB GLN A 53 -8.525 2.460 5.461 1.00 0.00 C ATOM 717 CG GLN A 53 -7.795 3.078 6.648 1.00 0.00 C ATOM 718 CD GLN A 53 -8.807 3.467 7.727 1.00 0.00 C ATOM 719 OE1 GLN A 53 -9.112 2.681 8.602 1.00 0.00 O ATOM 720 NE2 GLN A 53 -9.346 4.654 7.699 1.00 0.00 N ATOM 0 H GLN A 53 -9.252 -0.205 4.411 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.367 1.210 7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.803 2.118 4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.148 3.212 4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.072 2.370 7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.235 3.956 6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.090 5.313 6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.024 4.923 8.412 1.00 0.00 H new ATOM 729 N VAL A 54 -11.604 2.239 6.188 1.00 0.00 N ATOM 730 CA VAL A 54 -12.993 2.497 5.742 1.00 0.00 C ATOM 731 C VAL A 54 -13.299 4.001 5.795 1.00 0.00 C ATOM 732 O VAL A 54 -12.887 4.705 6.695 1.00 0.00 O ATOM 733 CB VAL A 54 -13.952 1.709 6.627 1.00 0.00 C ATOM 734 CG1 VAL A 54 -14.476 2.586 7.759 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.125 1.221 5.773 1.00 0.00 C ATOM 0 H VAL A 54 -11.347 2.651 7.085 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.116 2.172 4.709 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.424 0.860 7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.159 2.008 8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.640 2.935 8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -15.004 3.443 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.818 0.656 6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.642 2.078 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.752 0.581 4.973 1.00 0.00 H new ATOM 745 N VAL A 55 -14.030 4.485 4.832 1.00 0.00 N ATOM 746 CA VAL A 55 -14.395 5.930 4.795 1.00 0.00 C ATOM 747 C VAL A 55 -15.438 6.114 3.690 1.00 0.00 C ATOM 748 O VAL A 55 -16.593 5.777 3.855 1.00 0.00 O ATOM 749 CB VAL A 55 -13.150 6.772 4.488 1.00 0.00 C ATOM 750 CG1 VAL A 55 -12.425 7.116 5.790 1.00 0.00 C ATOM 751 CG2 VAL A 55 -12.208 5.977 3.580 1.00 0.00 C ATOM 0 H VAL A 55 -14.396 3.933 4.056 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.797 6.251 5.756 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.453 7.692 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.541 7.714 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.092 7.683 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.124 6.197 6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.323 6.575 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.909 5.057 4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.720 5.733 2.649 1.00 0.00 H new ATOM 761 N ALA A 56 -15.031 6.597 2.550 1.00 0.00 N ATOM 762 CA ALA A 56 -15.979 6.748 1.417 1.00 0.00 C ATOM 763 C ALA A 56 -15.712 5.580 0.477 1.00 0.00 C ATOM 764 O ALA A 56 -15.850 5.668 -0.727 1.00 0.00 O ATOM 765 CB ALA A 56 -15.706 8.065 0.700 1.00 0.00 C ATOM 0 H ALA A 56 -14.075 6.895 2.355 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.015 6.753 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.401 8.177 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.837 8.893 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.684 8.068 0.322 1.00 0.00 H new ATOM 771 N GLY A 57 -15.285 4.493 1.050 1.00 0.00 N ATOM 772 CA GLY A 57 -14.937 3.280 0.267 1.00 0.00 C ATOM 773 C GLY A 57 -13.995 2.460 1.130 1.00 0.00 C ATOM 774 O GLY A 57 -14.374 1.938 2.161 1.00 0.00 O ATOM 0 H GLY A 57 -15.160 4.393 2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.832 2.709 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.461 3.551 -0.676 1.00 0.00 H new ATOM 778 N THR A 58 -12.765 2.373 0.745 1.00 0.00 N ATOM 779 CA THR A 58 -11.791 1.617 1.584 1.00 0.00 C ATOM 780 C THR A 58 -10.355 1.931 1.169 1.00 0.00 C ATOM 781 O THR A 58 -9.886 1.493 0.136 1.00 0.00 O ATOM 782 CB THR A 58 -12.028 0.112 1.456 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.393 -0.180 1.723 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.136 -0.622 2.463 1.00 0.00 C ATOM 0 H THR A 58 -12.385 2.786 -0.107 1.00 0.00 H new ATOM 0 HA THR A 58 -11.940 1.924 2.619 1.00 0.00 H new ATOM 0 HB THR A 58 -11.785 -0.215 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.744 0.464 2.373 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.299 -1.696 2.378 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.090 -0.396 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.383 -0.296 3.473 1.00 0.00 H new ATOM 792 N ASN A 59 -9.643 2.662 1.983 1.00 0.00 N ATOM 793 CA ASN A 59 -8.243 2.977 1.670 1.00 0.00 C ATOM 794 C ASN A 59 -7.426 1.704 1.841 1.00 0.00 C ATOM 795 O ASN A 59 -7.966 0.636 2.033 1.00 0.00 O ATOM 796 CB ASN A 59 -7.765 4.034 2.654 1.00 0.00 C ATOM 797 CG ASN A 59 -8.410 5.381 2.328 1.00 0.00 C ATOM 798 OD1 ASN A 59 -8.384 5.825 1.196 1.00 0.00 O ATOM 799 ND2 ASN A 59 -8.995 6.056 3.282 1.00 0.00 N ATOM 0 H ASN A 59 -9.987 3.054 2.860 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.136 3.350 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.019 3.737 3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.679 4.121 2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.430 6.956 3.077 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.017 5.683 4.231 1.00 0.00 H new ATOM 806 N TYR A 60 -6.136 1.811 1.796 1.00 0.00 N ATOM 807 CA TYR A 60 -5.280 0.603 1.970 1.00 0.00 C ATOM 808 C TYR A 60 -4.027 0.974 2.745 1.00 0.00 C ATOM 809 O TYR A 60 -3.556 2.089 2.695 1.00 0.00 O ATOM 810 CB TYR A 60 -4.806 0.051 0.615 1.00 0.00 C ATOM 811 CG TYR A 60 -5.953 -0.496 -0.196 1.00 0.00 C ATOM 812 CD1 TYR A 60 -7.048 -1.091 0.430 1.00 0.00 C ATOM 813 CD2 TYR A 60 -5.906 -0.409 -1.590 1.00 0.00 C ATOM 814 CE1 TYR A 60 -8.101 -1.598 -0.339 1.00 0.00 C ATOM 815 CE2 TYR A 60 -6.954 -0.914 -2.360 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.055 -1.508 -1.736 1.00 0.00 C ATOM 817 OH TYR A 60 -9.094 -2.007 -2.496 1.00 0.00 O ATOM 0 H TYR A 60 -5.630 2.684 1.646 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.879 -0.143 2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.308 0.842 0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.069 -0.735 0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.083 -1.160 1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.056 0.050 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.950 -2.059 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.915 -0.846 -3.437 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.903 -1.862 -3.446 1.00 0.00 H new ATOM 827 N TYR A 61 -3.460 0.009 3.395 1.00 0.00 N ATOM 828 CA TYR A 61 -2.186 0.204 4.133 1.00 0.00 C ATOM 829 C TYR A 61 -1.379 -1.029 3.802 1.00 0.00 C ATOM 830 O TYR A 61 -1.907 -2.117 3.807 1.00 0.00 O ATOM 831 CB TYR A 61 -2.424 0.252 5.644 1.00 0.00 C ATOM 832 CG TYR A 61 -3.242 1.461 6.022 1.00 0.00 C ATOM 833 CD1 TYR A 61 -3.160 2.638 5.270 1.00 0.00 C ATOM 834 CD2 TYR A 61 -4.078 1.403 7.142 1.00 0.00 C ATOM 835 CE1 TYR A 61 -3.918 3.756 5.640 1.00 0.00 C ATOM 836 CE2 TYR A 61 -4.832 2.519 7.510 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.753 3.696 6.760 1.00 0.00 C ATOM 838 OH TYR A 61 -5.500 4.798 7.125 1.00 0.00 O ATOM 0 H TYR A 61 -3.836 -0.938 3.449 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.698 1.138 3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.938 -0.654 5.964 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.468 0.277 6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.514 2.684 4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.140 0.494 7.722 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.858 4.665 5.060 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.477 2.473 8.375 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.286 5.047 8.048 1.00 0.00 H new ATOM 848 N ILE A 62 -0.142 -0.917 3.453 1.00 0.00 N ATOM 849 CA ILE A 62 0.565 -2.160 3.079 1.00 0.00 C ATOM 850 C ILE A 62 2.043 -2.081 3.417 1.00 0.00 C ATOM 851 O ILE A 62 2.787 -1.335 2.814 1.00 0.00 O ATOM 852 CB ILE A 62 0.431 -2.387 1.572 1.00 0.00 C ATOM 853 CG1 ILE A 62 -1.043 -2.388 1.131 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.051 -3.741 1.238 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.150 -1.863 -0.305 1.00 0.00 C ATOM 0 H ILE A 62 0.398 -0.053 3.409 1.00 0.00 H new ATOM 0 HA ILE A 62 0.116 -2.980 3.640 1.00 0.00 H new ATOM 0 HB ILE A 62 0.939 -1.578 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.451 -3.397 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.634 -1.765 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.967 -3.925 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.103 -3.740 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.527 -4.526 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.195 -1.864 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.759 -0.847 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.572 -2.504 -0.971 1.00 0.00 H new ATOM 867 N LYS A 63 2.498 -2.895 4.323 1.00 0.00 N ATOM 868 CA LYS A 63 3.946 -2.892 4.613 1.00 0.00 C ATOM 869 C LYS A 63 4.567 -3.745 3.517 1.00 0.00 C ATOM 870 O LYS A 63 4.488 -4.956 3.543 1.00 0.00 O ATOM 871 CB LYS A 63 4.216 -3.489 5.992 1.00 0.00 C ATOM 872 CG LYS A 63 5.699 -3.831 6.123 1.00 0.00 C ATOM 873 CD LYS A 63 6.109 -3.761 7.595 1.00 0.00 C ATOM 874 CE LYS A 63 5.106 -4.549 8.441 1.00 0.00 C ATOM 875 NZ LYS A 63 5.683 -4.793 9.793 1.00 0.00 N ATOM 0 H LYS A 63 1.937 -3.551 4.866 1.00 0.00 H new ATOM 0 HA LYS A 63 4.363 -1.885 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.926 -2.781 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.612 -4.385 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.890 -4.829 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.297 -3.136 5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.111 -4.170 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.143 -2.723 7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.171 -3.995 8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.871 -5.497 7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.859 -5.810 9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.578 -4.272 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.014 -4.467 10.520 1.00 0.00 H new ATOM 889 N VAL A 64 5.107 -3.123 2.510 1.00 0.00 N ATOM 890 CA VAL A 64 5.640 -3.904 1.368 1.00 0.00 C ATOM 891 C VAL A 64 7.161 -3.881 1.310 1.00 0.00 C ATOM 892 O VAL A 64 7.793 -2.885 1.582 1.00 0.00 O ATOM 893 CB VAL A 64 5.110 -3.290 0.093 1.00 0.00 C ATOM 894 CG1 VAL A 64 5.534 -4.157 -1.078 1.00 0.00 C ATOM 895 CG2 VAL A 64 3.584 -3.201 0.150 1.00 0.00 C ATOM 0 H VAL A 64 5.201 -2.111 2.430 1.00 0.00 H new ATOM 0 HA VAL A 64 5.324 -4.940 1.490 1.00 0.00 H new ATOM 0 HB VAL A 64 5.512 -2.284 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.158 -3.725 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.622 -4.209 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.127 -5.161 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.211 -2.757 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.165 -4.201 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.287 -2.582 0.996 1.00 0.00 H new ATOM 905 N ARG A 65 7.754 -4.967 0.908 1.00 0.00 N ATOM 906 CA ARG A 65 9.231 -4.992 0.779 1.00 0.00 C ATOM 907 C ARG A 65 9.607 -4.104 -0.394 1.00 0.00 C ATOM 908 O ARG A 65 9.028 -4.193 -1.457 1.00 0.00 O ATOM 909 CB ARG A 65 9.726 -6.416 0.518 1.00 0.00 C ATOM 910 CG ARG A 65 8.894 -7.421 1.324 1.00 0.00 C ATOM 911 CD ARG A 65 9.785 -8.098 2.369 1.00 0.00 C ATOM 912 NE ARG A 65 10.445 -9.290 1.765 1.00 0.00 N ATOM 913 CZ ARG A 65 11.694 -9.553 2.039 1.00 0.00 C ATOM 914 NH1 ARG A 65 12.647 -8.971 1.365 1.00 0.00 N ATOM 915 NH2 ARG A 65 11.989 -10.398 2.988 1.00 0.00 N ATOM 0 H ARG A 65 7.279 -5.836 0.664 1.00 0.00 H new ATOM 0 HA ARG A 65 9.689 -4.637 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.655 -6.644 -0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.777 -6.500 0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.063 -6.912 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.463 -8.169 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.537 -7.397 2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.189 -8.397 3.231 1.00 0.00 H new ATOM 0 HE ARG A 65 9.921 -9.900 1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.417 -8.310 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.623 -9.177 1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.244 -10.853 3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.965 -10.604 3.202 1.00 0.00 H new ATOM 929 N ALA A 66 10.572 -3.254 -0.207 1.00 0.00 N ATOM 930 CA ALA A 66 11.002 -2.342 -1.300 1.00 0.00 C ATOM 931 C ALA A 66 12.026 -3.057 -2.165 1.00 0.00 C ATOM 932 O ALA A 66 13.052 -2.516 -2.528 1.00 0.00 O ATOM 933 CB ALA A 66 11.634 -1.099 -0.693 1.00 0.00 C ATOM 0 H ALA A 66 11.088 -3.150 0.667 1.00 0.00 H new ATOM 0 HA ALA A 66 10.143 -2.056 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.951 -0.426 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.906 -0.593 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.499 -1.386 -0.094 1.00 0.00 H new ATOM 939 N GLY A 67 11.746 -4.276 -2.486 1.00 0.00 N ATOM 940 CA GLY A 67 12.685 -5.070 -3.324 1.00 0.00 C ATOM 941 C GLY A 67 13.754 -5.701 -2.429 1.00 0.00 C ATOM 942 O GLY A 67 13.577 -6.781 -1.901 1.00 0.00 O ATOM 0 H GLY A 67 10.899 -4.769 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.142 -5.846 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.153 -4.430 -4.072 1.00 0.00 H new ATOM 946 N ASP A 68 14.865 -5.039 -2.260 1.00 0.00 N ATOM 947 CA ASP A 68 15.947 -5.593 -1.411 1.00 0.00 C ATOM 948 C ASP A 68 15.438 -5.786 0.027 1.00 0.00 C ATOM 949 O ASP A 68 14.317 -6.202 0.244 1.00 0.00 O ATOM 950 CB ASP A 68 17.141 -4.636 -1.424 1.00 0.00 C ATOM 951 CG ASP A 68 16.755 -3.329 -0.730 1.00 0.00 C ATOM 952 OD1 ASP A 68 15.849 -2.670 -1.211 1.00 0.00 O ATOM 953 OD2 ASP A 68 17.375 -3.009 0.272 1.00 0.00 O ATOM 0 H ASP A 68 15.068 -4.131 -2.679 1.00 0.00 H new ATOM 0 HA ASP A 68 16.258 -6.561 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.991 -5.092 -0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.450 -4.438 -2.450 1.00 0.00 H new ATOM 958 N ASN A 92 16.252 -5.497 1.012 1.00 0.00 N ATOM 959 CA ASN A 92 15.808 -5.676 2.427 1.00 0.00 C ATOM 960 C ASN A 92 15.082 -4.420 2.910 1.00 0.00 C ATOM 961 O ASN A 92 14.509 -4.402 3.980 1.00 0.00 O ATOM 962 CB ASN A 92 17.027 -5.928 3.317 1.00 0.00 C ATOM 963 CG ASN A 92 17.527 -7.359 3.117 1.00 0.00 C ATOM 964 OD1 ASN A 92 16.754 -8.250 2.826 1.00 0.00 O ATOM 965 ND2 ASN A 92 18.797 -7.618 3.263 1.00 0.00 N ATOM 0 H ASN A 92 17.203 -5.146 0.897 1.00 0.00 H new ATOM 0 HA ASN A 92 15.129 -6.527 2.482 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.819 -5.219 3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 92 16.765 -5.767 4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 92 19.142 -8.569 3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 92 19.445 -6.869 3.507 1.00 0.00 H new ATOM 972 N LYS A 93 15.095 -3.373 2.136 1.00 0.00 N ATOM 973 CA LYS A 93 14.395 -2.132 2.568 1.00 0.00 C ATOM 974 C LYS A 93 12.890 -2.384 2.539 1.00 0.00 C ATOM 975 O LYS A 93 12.442 -3.452 2.171 1.00 0.00 O ATOM 976 CB LYS A 93 14.739 -0.985 1.616 1.00 0.00 C ATOM 977 CG LYS A 93 15.760 -0.061 2.281 1.00 0.00 C ATOM 978 CD LYS A 93 17.104 -0.187 1.563 1.00 0.00 C ATOM 979 CE LYS A 93 17.695 1.207 1.343 1.00 0.00 C ATOM 980 NZ LYS A 93 19.182 1.115 1.309 1.00 0.00 N ATOM 0 H LYS A 93 15.557 -3.322 1.228 1.00 0.00 H new ATOM 0 HA LYS A 93 14.710 -1.863 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.143 -1.380 0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.838 -0.426 1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.411 0.971 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.872 -0.322 3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.789 -0.795 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.972 -0.693 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.324 1.628 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.379 1.878 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.585 2.062 1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.527 0.731 2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.473 0.488 0.532 1.00 0.00 H new ATOM 994 N TYR A 94 12.102 -1.420 2.918 1.00 0.00 N ATOM 995 CA TYR A 94 10.631 -1.630 2.900 1.00 0.00 C ATOM 996 C TYR A 94 9.944 -0.341 2.467 1.00 0.00 C ATOM 997 O TYR A 94 10.585 0.658 2.204 1.00 0.00 O ATOM 998 CB TYR A 94 10.153 -2.043 4.292 1.00 0.00 C ATOM 999 CG TYR A 94 10.379 -3.525 4.460 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.675 -4.013 4.659 1.00 0.00 C ATOM 1001 CD2 TYR A 94 9.297 -4.410 4.409 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.890 -5.386 4.809 1.00 0.00 C ATOM 1003 CE2 TYR A 94 9.512 -5.785 4.558 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.809 -6.274 4.759 1.00 0.00 C ATOM 1005 OH TYR A 94 11.021 -7.629 4.908 1.00 0.00 O ATOM 0 H TYR A 94 12.410 -0.502 3.237 1.00 0.00 H new ATOM 0 HA TYR A 94 10.381 -2.422 2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.695 -1.489 5.058 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.096 -1.805 4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 94 12.510 -3.329 4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.297 -4.033 4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.891 -5.762 4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.677 -6.469 4.518 1.00 0.00 H new ATOM 0 HH TYR A 94 11.748 -7.913 4.316 1.00 0.00 H new ATOM 1015 N MET A 95 8.646 -0.352 2.378 1.00 0.00 N ATOM 1016 CA MET A 95 7.929 0.873 1.947 1.00 0.00 C ATOM 1017 C MET A 95 6.447 0.738 2.280 1.00 0.00 C ATOM 1018 O MET A 95 5.746 -0.083 1.723 1.00 0.00 O ATOM 1019 CB MET A 95 8.103 1.058 0.439 1.00 0.00 C ATOM 1020 CG MET A 95 8.324 2.537 0.128 1.00 0.00 C ATOM 1021 SD MET A 95 6.923 3.164 -0.827 1.00 0.00 S ATOM 1022 CE MET A 95 7.036 1.978 -2.191 1.00 0.00 C ATOM 0 H MET A 95 8.053 -1.155 2.585 1.00 0.00 H new ATOM 0 HA MET A 95 8.338 1.739 2.468 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.951 0.471 0.085 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.221 0.693 -0.087 1.00 0.00 H new ATOM 0 HG2 MET A 95 8.430 3.103 1.054 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.249 2.668 -0.433 1.00 0.00 H new ATOM 0 HE1 MET A 95 6.622 2.423 -3.096 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.081 1.717 -2.360 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.473 1.079 -1.939 1.00 0.00 H new ATOM 1032 N HIS A 96 5.964 1.547 3.175 1.00 0.00 N ATOM 1033 CA HIS A 96 4.523 1.478 3.539 1.00 0.00 C ATOM 1034 C HIS A 96 3.709 2.030 2.374 1.00 0.00 C ATOM 1035 O HIS A 96 4.096 2.996 1.747 1.00 0.00 O ATOM 1036 CB HIS A 96 4.277 2.335 4.778 1.00 0.00 C ATOM 1037 CG HIS A 96 4.274 1.468 6.002 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.597 1.948 7.261 1.00 0.00 N ATOM 1039 CD2 HIS A 96 3.992 0.145 6.167 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.499 0.920 8.121 1.00 0.00 C ATOM 1041 NE2 HIS A 96 4.144 -0.208 7.504 1.00 0.00 N ATOM 0 H HIS A 96 6.504 2.255 3.672 1.00 0.00 H new ATOM 0 HA HIS A 96 4.233 0.448 3.748 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.051 3.098 4.863 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.324 2.856 4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.695 -0.529 5.377 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.685 0.998 9.182 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.013 -1.129 7.922 1.00 0.00 H new ATOM 1049 N LEU A 97 2.587 1.442 2.069 1.00 0.00 N ATOM 1050 CA LEU A 97 1.788 1.972 0.933 1.00 0.00 C ATOM 1051 C LEU A 97 0.366 2.295 1.384 1.00 0.00 C ATOM 1052 O LEU A 97 -0.287 1.518 2.051 1.00 0.00 O ATOM 1053 CB LEU A 97 1.738 0.948 -0.206 1.00 0.00 C ATOM 1054 CG LEU A 97 2.338 1.564 -1.473 1.00 0.00 C ATOM 1055 CD1 LEU A 97 1.796 2.976 -1.671 1.00 0.00 C ATOM 1056 CD2 LEU A 97 3.861 1.612 -1.336 1.00 0.00 C ATOM 0 H LEU A 97 2.194 0.632 2.548 1.00 0.00 H new ATOM 0 HA LEU A 97 2.267 2.885 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.291 0.051 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.708 0.643 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 97 2.066 0.956 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.227 3.408 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.711 2.939 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.062 3.592 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.294 2.050 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.130 2.219 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.246 0.601 -1.203 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.114 3.442 0.999 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.494 3.851 1.364 1.00 0.00 C ATOM 1070 C LYS A 98 -2.255 4.110 0.055 1.00 0.00 C ATOM 1071 O LYS A 98 -1.925 5.010 -0.690 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.414 5.119 2.245 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.543 6.115 1.931 1.00 0.00 C ATOM 1074 CD LYS A 98 -3.841 5.663 2.603 1.00 0.00 C ATOM 1075 CE LYS A 98 -4.311 6.751 3.572 1.00 0.00 C ATOM 1076 NZ LYS A 98 -5.772 6.986 3.393 1.00 0.00 N ATOM 0 H LYS A 98 0.400 4.122 0.439 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.017 3.083 1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.465 4.833 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.450 5.605 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.269 7.110 2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.687 6.186 0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.607 5.473 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.681 4.727 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.104 6.451 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.760 7.674 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.042 7.871 3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.990 7.057 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.304 6.194 3.807 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.248 3.318 -0.252 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.986 3.524 -1.532 1.00 0.00 C ATOM 1092 C VAL A 99 -5.465 3.809 -1.236 1.00 0.00 C ATOM 1093 O VAL A 99 -5.973 3.450 -0.199 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.884 2.235 -2.374 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -5.146 2.059 -3.215 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.687 2.307 -3.317 1.00 0.00 C ATOM 0 H VAL A 99 -3.578 2.543 0.323 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.555 4.367 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.766 1.394 -1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.065 1.147 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.014 1.991 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.261 2.914 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.630 1.390 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.802 3.159 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.772 2.423 -2.736 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.181 4.401 -2.159 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.628 4.619 -1.902 1.00 0.00 C ATOM 1108 C PHE A 100 -8.417 3.924 -3.006 1.00 0.00 C ATOM 1109 O PHE A 100 -8.132 4.084 -4.181 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.969 6.111 -1.881 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.435 6.292 -1.566 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -10.119 5.333 -0.811 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -10.110 7.423 -2.040 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.479 5.504 -0.530 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.471 7.595 -1.758 1.00 0.00 C ATOM 1116 CZ PHE A 100 -12.155 6.636 -1.003 1.00 0.00 C ATOM 0 H PHE A 100 -5.833 4.734 -3.058 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.886 4.208 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.361 6.623 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.736 6.561 -2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.597 4.461 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.581 8.163 -2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -12.008 4.763 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -11.992 8.468 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 100 -13.204 6.769 -0.785 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.399 3.147 -2.645 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.200 2.446 -3.679 1.00 0.00 C ATOM 1128 C LYS A 101 -11.567 3.119 -3.761 1.00 0.00 C ATOM 1129 O LYS A 101 -11.977 3.825 -2.862 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.317 0.947 -3.334 1.00 0.00 C ATOM 1131 CG LYS A 101 -11.551 0.645 -2.467 1.00 0.00 C ATOM 1132 CD LYS A 101 -12.007 -0.790 -2.747 1.00 0.00 C ATOM 1133 CE LYS A 101 -12.318 -1.506 -1.430 1.00 0.00 C ATOM 1134 NZ LYS A 101 -12.715 -2.914 -1.714 1.00 0.00 N ATOM 0 H LYS A 101 -9.679 2.969 -1.681 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.715 2.511 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.372 0.367 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.418 0.626 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.310 0.766 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.353 1.348 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.892 -0.782 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.229 -1.329 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.445 -1.487 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.120 -0.989 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.927 -3.402 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.560 -2.921 -2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.936 -3.403 -2.199 1.00 0.00 H new ATOM 1257 N LEU A 108 -7.595 2.700 -8.689 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.201 3.045 -7.293 1.00 0.00 C ATOM 1259 C LEU A 108 -6.222 4.190 -7.316 1.00 0.00 C ATOM 1260 O LEU A 108 -5.959 4.793 -8.336 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.537 1.843 -6.627 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.615 0.888 -6.126 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.609 0.619 -7.245 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.961 -0.425 -5.698 1.00 0.00 C ATOM 0 HA LEU A 108 -8.093 3.326 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.884 1.334 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.911 2.172 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.136 1.331 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.381 -0.064 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.069 1.557 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.090 0.171 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.727 -1.113 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.445 -0.869 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.244 -0.231 -4.900 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.717 4.515 -6.179 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.786 5.659 -6.096 1.00 0.00 C ATOM 1278 C VAL A 109 -3.744 5.431 -5.008 1.00 0.00 C ATOM 1279 O VAL A 109 -3.936 4.650 -4.100 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.619 6.857 -5.710 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.216 6.578 -4.359 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.763 8.123 -5.648 1.00 0.00 C ATOM 0 H VAL A 109 -5.906 4.039 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.268 5.794 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.397 7.022 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.826 7.426 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.838 5.684 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.418 6.421 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.388 8.971 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.974 7.993 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.316 8.308 -6.625 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.666 6.152 -5.073 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.632 6.052 -4.057 1.00 0.00 C ATOM 1294 C LEU A 110 -1.879 7.209 -3.089 1.00 0.00 C ATOM 1295 O LEU A 110 -1.387 8.306 -3.271 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.302 6.213 -4.763 1.00 0.00 C ATOM 1297 CG LEU A 110 0.752 6.528 -3.744 1.00 0.00 C ATOM 1298 CD1 LEU A 110 0.864 5.339 -2.802 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.067 6.768 -4.465 1.00 0.00 C ATOM 0 H LEU A 110 -2.468 6.821 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.637 5.105 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.047 5.299 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.362 7.011 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 110 0.499 7.420 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.626 5.542 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.095 5.171 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.142 4.451 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.844 6.999 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.345 5.873 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.956 7.605 -5.155 1.00 0.00 H new ATOM 1311 N THR A 111 -2.696 6.993 -2.102 1.00 0.00 N ATOM 1312 CA THR A 111 -3.038 8.099 -1.164 1.00 0.00 C ATOM 1313 C THR A 111 -1.897 8.390 -0.185 1.00 0.00 C ATOM 1314 O THR A 111 -1.935 9.369 0.535 1.00 0.00 O ATOM 1315 CB THR A 111 -4.309 7.730 -0.397 1.00 0.00 C ATOM 1316 OG1 THR A 111 -4.406 6.317 -0.288 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.523 8.266 -1.158 1.00 0.00 C ATOM 0 H THR A 111 -3.144 6.099 -1.901 1.00 0.00 H new ATOM 0 HA THR A 111 -3.202 9.005 -1.748 1.00 0.00 H new ATOM 0 HB THR A 111 -4.275 8.166 0.601 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.311 6.072 -0.001 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.434 8.007 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.448 9.350 -1.245 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.553 7.823 -2.153 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.877 7.579 -0.145 1.00 0.00 N ATOM 1326 CA GLY A 112 0.244 7.874 0.801 1.00 0.00 C ATOM 1327 C GLY A 112 1.261 6.736 0.801 1.00 0.00 C ATOM 1328 O GLY A 112 1.239 5.876 -0.054 1.00 0.00 O ATOM 0 H GLY A 112 -0.768 6.739 -0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.733 8.805 0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.150 8.017 1.807 1.00 0.00 H new ATOM 1332 N TYR A 113 2.167 6.744 1.746 1.00 0.00 N ATOM 1333 CA TYR A 113 3.206 5.693 1.807 1.00 0.00 C ATOM 1334 C TYR A 113 4.313 6.136 2.767 1.00 0.00 C ATOM 1335 O TYR A 113 4.759 7.264 2.726 1.00 0.00 O ATOM 1336 CB TYR A 113 3.832 5.542 0.429 1.00 0.00 C ATOM 1337 CG TYR A 113 4.247 6.907 -0.062 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.497 7.424 0.297 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.376 7.667 -0.852 1.00 0.00 C ATOM 1340 CE1 TYR A 113 5.879 8.697 -0.134 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.755 8.944 -1.279 1.00 0.00 C ATOM 1342 CZ TYR A 113 5.007 9.459 -0.921 1.00 0.00 C ATOM 1343 OH TYR A 113 5.382 10.721 -1.338 1.00 0.00 O ATOM 0 H TYR A 113 2.225 7.447 2.483 1.00 0.00 H new ATOM 0 HA TYR A 113 2.757 4.757 2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.695 4.878 0.476 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.120 5.091 -0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.167 6.838 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.412 7.268 -1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 113 6.846 9.093 0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.082 9.533 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 113 6.329 10.714 -1.591 1.00 0.00 H new ATOM 1353 N GLN A 114 4.810 5.257 3.590 1.00 0.00 N ATOM 1354 CA GLN A 114 5.938 5.659 4.475 1.00 0.00 C ATOM 1355 C GLN A 114 7.210 5.187 3.788 1.00 0.00 C ATOM 1356 O GLN A 114 7.569 4.033 3.855 1.00 0.00 O ATOM 1357 CB GLN A 114 5.837 5.012 5.866 1.00 0.00 C ATOM 1358 CG GLN A 114 4.386 5.019 6.340 1.00 0.00 C ATOM 1359 CD GLN A 114 3.878 6.461 6.379 1.00 0.00 C ATOM 1360 OE1 GLN A 114 3.985 7.181 5.407 1.00 0.00 O ATOM 1361 NE2 GLN A 114 3.325 6.915 7.470 1.00 0.00 N ATOM 0 H GLN A 114 4.491 4.293 3.688 1.00 0.00 H new ATOM 0 HA GLN A 114 5.924 6.738 4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.211 3.989 5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.463 5.554 6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.769 4.421 5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.312 4.567 7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.235 6.310 8.286 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.982 7.875 7.507 1.00 0.00 H new ATOM 1370 N VAL A 115 7.877 6.052 3.086 1.00 0.00 N ATOM 1371 CA VAL A 115 9.090 5.623 2.373 1.00 0.00 C ATOM 1372 C VAL A 115 10.200 5.303 3.365 1.00 0.00 C ATOM 1373 O VAL A 115 10.196 5.749 4.495 1.00 0.00 O ATOM 1374 CB VAL A 115 9.530 6.739 1.453 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.037 7.892 2.295 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.641 6.239 0.548 1.00 0.00 C ATOM 0 H VAL A 115 7.630 7.036 2.979 1.00 0.00 H new ATOM 0 HA VAL A 115 8.876 4.724 1.795 1.00 0.00 H new ATOM 0 HB VAL A 115 8.692 7.070 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.358 8.705 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.239 8.244 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.880 7.558 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.959 7.043 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.486 5.914 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.277 5.401 -0.046 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.154 4.534 2.937 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.288 4.168 3.832 1.00 0.00 C ATOM 1388 C ASP A 115A 11.766 3.601 5.159 1.00 0.00 C ATOM 1389 O ASP A 115A 12.462 3.607 6.154 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.131 5.415 4.112 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.387 5.019 4.891 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.629 3.831 5.021 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.085 5.911 5.345 1.00 0.00 O ATOM 0 H ASP A 115A 11.201 4.138 1.998 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.894 3.408 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.409 5.897 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 12.550 6.139 4.683 1.00 0.00 H new ATOM 1398 N LYS A 116 10.557 3.101 5.191 1.00 0.00 N ATOM 1399 CA LYS A 116 10.028 2.537 6.456 1.00 0.00 C ATOM 1400 C LYS A 116 10.366 1.047 6.515 1.00 0.00 C ATOM 1401 O LYS A 116 9.789 0.238 5.816 1.00 0.00 O ATOM 1402 CB LYS A 116 8.513 2.739 6.501 1.00 0.00 C ATOM 1403 CG LYS A 116 8.171 3.678 7.651 1.00 0.00 C ATOM 1404 CD LYS A 116 8.723 5.074 7.352 1.00 0.00 C ATOM 1405 CE LYS A 116 8.009 6.106 8.227 1.00 0.00 C ATOM 1406 NZ LYS A 116 8.649 6.147 9.571 1.00 0.00 N ATOM 0 H LYS A 116 9.920 3.062 4.396 1.00 0.00 H new ATOM 0 HA LYS A 116 10.478 3.040 7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.161 3.156 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 116 8.009 1.782 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.091 3.724 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.594 3.300 8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.796 5.100 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 116 8.581 5.315 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.057 7.090 7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 116 6.954 5.849 8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 8.427 7.051 10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.288 5.363 10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 9.680 6.055 9.468 1.00 0.00 H new ATOM 1420 N ASN A 117 11.313 0.681 7.337 1.00 0.00 N ATOM 1421 CA ASN A 117 11.713 -0.751 7.436 1.00 0.00 C ATOM 1422 C ASN A 117 10.597 -1.565 8.093 1.00 0.00 C ATOM 1423 O ASN A 117 9.511 -1.075 8.331 1.00 0.00 O ATOM 1424 CB ASN A 117 12.987 -0.861 8.278 1.00 0.00 C ATOM 1425 CG ASN A 117 14.045 0.103 7.734 1.00 0.00 C ATOM 1426 OD1 ASN A 117 13.856 1.303 7.745 1.00 0.00 O ATOM 1427 ND2 ASN A 117 15.160 -0.377 7.257 1.00 0.00 N ATOM 0 H ASN A 117 11.828 1.316 7.947 1.00 0.00 H new ATOM 0 HA ASN A 117 11.895 -1.142 6.435 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.768 -0.627 9.320 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.364 -1.883 8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.873 0.255 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.319 -1.385 7.248 1.00 0.00 H new ATOM 1434 N LYS A 118 10.859 -2.811 8.384 1.00 0.00 N ATOM 1435 CA LYS A 118 9.822 -3.671 9.023 1.00 0.00 C ATOM 1436 C LYS A 118 9.492 -3.132 10.416 1.00 0.00 C ATOM 1437 O LYS A 118 8.488 -3.479 11.005 1.00 0.00 O ATOM 1438 CB LYS A 118 10.357 -5.099 9.149 1.00 0.00 C ATOM 1439 CG LYS A 118 9.218 -6.097 8.921 1.00 0.00 C ATOM 1440 CD LYS A 118 8.855 -6.780 10.243 1.00 0.00 C ATOM 1441 CE LYS A 118 10.080 -7.514 10.797 1.00 0.00 C ATOM 1442 NZ LYS A 118 9.653 -8.458 11.871 1.00 0.00 N ATOM 0 H LYS A 118 11.751 -3.272 8.206 1.00 0.00 H new ATOM 0 HA LYS A 118 8.921 -3.667 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 118 11.151 -5.266 8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 118 10.793 -5.249 10.137 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.347 -5.582 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.518 -6.844 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.506 -6.039 10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.037 -7.483 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.582 -8.059 9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 118 10.798 -6.796 11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.485 -8.956 12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 9.192 -7.927 12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.983 -9.150 11.479 1.00 0.00 H new ATOM 1456 N ASP A 119 10.331 -2.288 10.951 1.00 0.00 N ATOM 1457 CA ASP A 119 10.064 -1.737 12.309 1.00 0.00 C ATOM 1458 C ASP A 119 8.869 -0.781 12.252 1.00 0.00 C ATOM 1459 O ASP A 119 8.248 -0.496 13.256 1.00 0.00 O ATOM 1460 CB ASP A 119 11.295 -0.978 12.808 1.00 0.00 C ATOM 1461 CG ASP A 119 10.952 -0.242 14.106 1.00 0.00 C ATOM 1462 OD1 ASP A 119 10.343 0.812 14.024 1.00 0.00 O ATOM 1463 OD2 ASP A 119 11.302 -0.747 15.160 1.00 0.00 O ATOM 0 H ASP A 119 11.188 -1.957 10.508 1.00 0.00 H new ATOM 0 HA ASP A 119 9.841 -2.558 12.990 1.00 0.00 H new ATOM 0 HB2 ASP A 119 12.118 -1.672 12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.628 -0.267 12.052 1.00 0.00 H new ATOM 1468 N ASP A 120 8.540 -0.281 11.091 1.00 0.00 N ATOM 1469 CA ASP A 120 7.387 0.655 10.999 1.00 0.00 C ATOM 1470 C ASP A 120 6.112 -0.116 10.721 1.00 0.00 C ATOM 1471 O ASP A 120 5.896 -0.609 9.632 1.00 0.00 O ATOM 1472 CB ASP A 120 7.582 1.646 9.856 1.00 0.00 C ATOM 1473 CG ASP A 120 7.126 3.037 10.305 1.00 0.00 C ATOM 1474 OD1 ASP A 120 7.698 3.550 11.253 1.00 0.00 O ATOM 1475 OD2 ASP A 120 6.216 3.567 9.688 1.00 0.00 O ATOM 0 H ASP A 120 9.016 -0.479 10.211 1.00 0.00 H new ATOM 0 HA ASP A 120 7.320 1.187 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.630 1.673 9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.011 1.328 8.983 1.00 0.00 H new ATOM 1480 N GLU A 121 5.242 -0.184 11.674 1.00 0.00 N ATOM 1481 CA GLU A 121 3.960 -0.869 11.434 1.00 0.00 C ATOM 1482 C GLU A 121 2.984 0.206 10.980 1.00 0.00 C ATOM 1483 O GLU A 121 3.106 1.354 11.360 1.00 0.00 O ATOM 1484 CB GLU A 121 3.465 -1.507 12.732 1.00 0.00 C ATOM 1485 CG GLU A 121 3.131 -2.979 12.488 1.00 0.00 C ATOM 1486 CD GLU A 121 2.526 -3.578 13.758 1.00 0.00 C ATOM 1487 OE1 GLU A 121 2.717 -2.994 14.812 1.00 0.00 O ATOM 1488 OE2 GLU A 121 1.884 -4.611 13.657 1.00 0.00 O ATOM 0 H GLU A 121 5.364 0.205 12.609 1.00 0.00 H new ATOM 0 HA GLU A 121 4.059 -1.657 10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.228 -1.421 13.505 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.583 -0.979 13.095 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.430 -3.072 11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.031 -3.526 12.207 1.00 0.00 H new ATOM 1495 N LEU A 122 2.020 -0.123 10.183 1.00 0.00 N ATOM 1496 CA LEU A 122 1.065 0.926 9.750 1.00 0.00 C ATOM 1497 C LEU A 122 0.239 1.332 10.965 1.00 0.00 C ATOM 1498 O LEU A 122 0.073 2.501 11.251 1.00 0.00 O ATOM 1499 CB LEU A 122 0.221 0.370 8.614 1.00 0.00 C ATOM 1500 CG LEU A 122 1.209 -0.237 7.627 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.203 -1.747 7.756 1.00 0.00 C ATOM 1502 CD2 LEU A 122 0.870 0.153 6.197 1.00 0.00 C ATOM 0 H LEU A 122 1.850 -1.059 9.815 1.00 0.00 H new ATOM 0 HA LEU A 122 1.566 1.817 9.372 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.480 -0.381 8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.370 1.156 8.144 1.00 0.00 H new ATOM 0 HG LEU A 122 2.201 0.149 7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.912 -2.176 7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.489 -2.027 8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.203 -2.126 7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.593 -0.296 5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.130 -0.203 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.903 1.238 6.098 1.00 0.00 H new ATOM 1514 N THR A 123 -0.213 0.366 11.729 1.00 0.00 N ATOM 1515 CA THR A 123 -0.962 0.658 13.000 1.00 0.00 C ATOM 1516 C THR A 123 -1.915 1.849 12.858 1.00 0.00 C ATOM 1517 O THR A 123 -2.347 2.428 13.835 1.00 0.00 O ATOM 1518 CB THR A 123 0.063 0.955 14.103 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.437 1.953 14.981 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.372 1.437 13.471 1.00 0.00 C ATOM 0 H THR A 123 -0.095 -0.626 11.526 1.00 0.00 H new ATOM 0 HA THR A 123 -1.571 -0.212 13.245 1.00 0.00 H new ATOM 0 HB THR A 123 0.246 0.043 14.671 1.00 0.00 H new ATOM 0 HG1 THR A 123 -1.414 1.891 15.025 1.00 0.00 H new ATOM 0 HG21 THR A 123 2.099 1.648 14.255 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.764 0.663 12.811 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.186 2.344 12.896 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.262 2.215 11.671 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.197 3.362 11.504 1.00 0.00 C ATOM 1530 C GLY A 124 -2.998 4.010 10.134 1.00 0.00 C ATOM 1531 O GLY A 124 -3.853 3.999 9.281 1.00 0.00 O ATOM 0 H GLY A 124 -1.945 1.777 10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.227 3.019 11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.026 4.097 12.290 1.00 0.00 H new ATOM 1535 N PHE A 125 -1.865 4.580 9.935 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.551 5.247 8.643 1.00 0.00 C ATOM 1537 C PHE A 125 -1.874 4.290 7.488 1.00 0.00 C ATOM 1538 O PHE A 125 -2.301 3.179 7.761 1.00 0.00 O ATOM 1539 CB PHE A 125 -0.055 5.640 8.638 1.00 0.00 C ATOM 1540 CG PHE A 125 0.572 5.365 7.287 1.00 0.00 C ATOM 1541 CD1 PHE A 125 0.861 4.046 6.915 1.00 0.00 C ATOM 1542 CD2 PHE A 125 0.846 6.417 6.406 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.422 3.778 5.665 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.412 6.149 5.154 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.698 4.831 4.783 1.00 0.00 C ATOM 1546 OXT PHE A 125 -1.682 4.685 6.349 1.00 0.00 O ATOM 0 H PHE A 125 -1.115 4.619 10.625 1.00 0.00 H new ATOM 0 HA PHE A 125 -2.152 6.148 8.519 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.048 6.697 8.883 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.474 5.081 9.410 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.650 3.235 7.596 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.621 7.434 6.691 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.643 2.760 5.378 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.628 6.960 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.132 4.625 3.816 1.00 0.00 H new