USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 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 63 LYS NZ :NH3+ 157:sc= -0.366 (180deg=-2.06) USER MOD Set 1.2: A 96 HIS : no HD1:sc= -19! C(o=-19!,f=-16!) USER MOD Set 2.1: A 61 TYR OH : rot -38:sc= 0.695 USER MOD Set 2.2: A 98 LYS NZ :NH3+ 134:sc= 0.0417 (180deg=0) USER MOD Set 3.1: A 36 THR OG1 : rot -105:sc= -0.231 USER MOD Set 3.2: A 37 ASN : amide:sc= -6.25! C(o=-8.4!,f=-16!) USER MOD Set 3.3: A 40 TYR OH : rot 16:sc= -1.95! USER MOD Set 4.1: A 12 SER OG : rot -121:sc= 0.151 USER MOD Set 4.2: A 52 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 161:sc= -1.19! USER MOD Single : A 22 GLN : amide:sc= -14.8! C(o=-15!,f=-7.7!) USER MOD Single : A 27 LYS NZ :NH3+ -134:sc= 0.122 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= -0.0968 (180deg=-1.01) USER MOD Single : A 31 GLN : amide:sc= -3.77! K(o=-3.8!,f=-2.8) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -7:sc= 0.861 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -8.91! C(o=-8.9!,f=-8.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -125:sc= 0 (180deg=-1.5!) USER MOD Single : A 53 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.5) USER MOD Single : A 58 THR OG1 : rot -50:sc= -0.18! USER MOD Single : A 59 ASN : amide:sc= -4.4! C(o=-4.4!,f=-5.5!) USER MOD Single : A 60 TYR OH : rot -130:sc= -3.86! USER MOD Single : A 92 ASN : amide:sc= 0.295 K(o=0.3,f=-0.65) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -130:sc= -4.31! USER MOD Single : A 95 MET CE :methyl -130:sc= -8.82! (180deg=-10.3!) USER MOD Single : A 101 LYS NZ :NH3+ -147:sc= -0.598 (180deg=-2.66!) USER MOD Single : A 111 THR OG1 : rot 180:sc= -3.02! USER MOD Single : A 113 TYR OH : rot 151:sc= -1.68! USER MOD Single : A 114 GLN : amide:sc= -10.4! C(o=-10!,f=-14!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.55) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -64:sc= -0.467! USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 11 -8.845 0.983 12.031 1.00 0.00 N ATOM 68 CA LEU A 11 -7.843 0.078 11.409 1.00 0.00 C ATOM 69 C LEU A 11 -7.993 -1.347 11.928 1.00 0.00 C ATOM 70 O LEU A 11 -8.290 -1.583 13.082 1.00 0.00 O ATOM 71 CB LEU A 11 -6.451 0.597 11.737 1.00 0.00 C ATOM 72 CG LEU A 11 -6.200 1.815 10.869 1.00 0.00 C ATOM 73 CD1 LEU A 11 -6.217 3.081 11.726 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.842 1.686 10.187 1.00 0.00 C ATOM 0 HA LEU A 11 -8.001 0.062 10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.378 0.858 12.793 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.701 -0.171 11.546 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.985 1.881 10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.036 3.951 11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.189 3.180 12.210 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.438 3.016 12.486 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.663 2.562 9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.060 1.613 10.943 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.830 0.790 9.566 1.00 0.00 H new ATOM 86 N SER A 12 -7.777 -2.298 11.065 1.00 0.00 N ATOM 87 CA SER A 12 -7.888 -3.727 11.470 1.00 0.00 C ATOM 88 C SER A 12 -6.490 -4.310 11.691 1.00 0.00 C ATOM 89 O SER A 12 -5.490 -3.690 11.387 1.00 0.00 O ATOM 90 CB SER A 12 -8.597 -4.516 10.368 1.00 0.00 C ATOM 91 OG SER A 12 -7.780 -4.536 9.204 1.00 0.00 O ATOM 0 H SER A 12 -7.526 -2.146 10.088 1.00 0.00 H new ATOM 0 HA SER A 12 -8.460 -3.795 12.395 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.796 -5.534 10.704 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.561 -4.061 10.142 1.00 0.00 H new ATOM 0 HG SER A 12 -8.269 -4.137 8.454 1.00 0.00 H new ATOM 97 N GLU A 13 -6.417 -5.502 12.215 1.00 0.00 N ATOM 98 CA GLU A 13 -5.101 -6.141 12.457 1.00 0.00 C ATOM 99 C GLU A 13 -4.291 -6.148 11.162 1.00 0.00 C ATOM 100 O GLU A 13 -4.742 -5.680 10.135 1.00 0.00 O ATOM 101 CB GLU A 13 -5.322 -7.580 12.919 1.00 0.00 C ATOM 102 CG GLU A 13 -4.417 -7.886 14.114 1.00 0.00 C ATOM 103 CD GLU A 13 -4.649 -9.327 14.571 1.00 0.00 C ATOM 104 OE1 GLU A 13 -5.664 -9.571 15.204 1.00 0.00 O ATOM 105 OE2 GLU A 13 -3.809 -10.162 14.281 1.00 0.00 O ATOM 0 H GLU A 13 -7.224 -6.064 12.487 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.559 -5.584 13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.366 -7.727 13.195 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.108 -8.270 12.103 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.372 -7.744 13.839 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.628 -7.195 14.930 1.00 0.00 H new ATOM 112 N ALA A 14 -3.101 -6.684 11.193 1.00 0.00 N ATOM 113 CA ALA A 14 -2.283 -6.720 9.949 1.00 0.00 C ATOM 114 C ALA A 14 -2.684 -7.904 9.101 1.00 0.00 C ATOM 115 O ALA A 14 -2.327 -9.030 9.386 1.00 0.00 O ATOM 116 CB ALA A 14 -0.795 -6.885 10.256 1.00 0.00 C ATOM 0 H ALA A 14 -2.664 -7.095 12.018 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.456 -5.776 9.432 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.231 -6.907 9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.454 -6.049 10.866 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.636 -7.817 10.798 1.00 0.00 H new ATOM 122 N LYS A 15 -3.348 -7.670 8.020 1.00 0.00 N ATOM 123 CA LYS A 15 -3.663 -8.800 7.134 1.00 0.00 C ATOM 124 C LYS A 15 -2.404 -8.961 6.302 1.00 0.00 C ATOM 125 O LYS A 15 -1.898 -7.989 5.784 1.00 0.00 O ATOM 126 CB LYS A 15 -4.869 -8.471 6.253 1.00 0.00 C ATOM 127 CG LYS A 15 -6.150 -8.553 7.087 1.00 0.00 C ATOM 128 CD LYS A 15 -6.299 -9.967 7.648 1.00 0.00 C ATOM 129 CE LYS A 15 -5.934 -9.970 9.132 1.00 0.00 C ATOM 130 NZ LYS A 15 -7.140 -9.635 9.940 1.00 0.00 N ATOM 0 H LYS A 15 -3.683 -6.756 7.714 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.927 -9.709 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.762 -7.472 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.922 -9.168 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.115 -7.829 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.014 -8.300 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.323 -10.316 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.653 -10.655 7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.550 -10.948 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.142 -9.247 9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.893 -9.637 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.488 -8.693 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.883 -10.341 9.764 1.00 0.00 H new ATOM 144 N PRO A 16 -1.883 -10.144 6.233 1.00 0.00 N ATOM 145 CA PRO A 16 -0.632 -10.359 5.509 1.00 0.00 C ATOM 146 C PRO A 16 -0.864 -10.118 4.014 1.00 0.00 C ATOM 147 O PRO A 16 -1.821 -10.600 3.440 1.00 0.00 O ATOM 148 CB PRO A 16 -0.262 -11.809 5.841 1.00 0.00 C ATOM 149 CG PRO A 16 -1.571 -12.493 6.300 1.00 0.00 C ATOM 150 CD PRO A 16 -2.487 -11.360 6.808 1.00 0.00 C ATOM 0 HA PRO A 16 0.176 -9.682 5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.156 -12.313 4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.494 -11.848 6.625 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.038 -13.033 5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.376 -13.220 7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.515 -11.494 6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.510 -11.320 7.897 1.00 0.00 H new ATOM 158 N ALA A 17 -0.025 -9.337 3.388 1.00 0.00 N ATOM 159 CA ALA A 17 -0.233 -9.021 1.945 1.00 0.00 C ATOM 160 C ALA A 17 -0.547 -10.276 1.136 1.00 0.00 C ATOM 161 O ALA A 17 -0.296 -11.394 1.544 1.00 0.00 O ATOM 162 CB ALA A 17 1.011 -8.354 1.361 1.00 0.00 C ATOM 0 H ALA A 17 0.795 -8.904 3.813 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.083 -8.342 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.843 -8.130 0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.215 -7.429 1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.864 -9.026 1.457 1.00 0.00 H new ATOM 168 N THR A 18 -1.085 -10.064 -0.027 1.00 0.00 N ATOM 169 CA THR A 18 -1.438 -11.171 -0.949 1.00 0.00 C ATOM 170 C THR A 18 -1.137 -10.650 -2.354 1.00 0.00 C ATOM 171 O THR A 18 -0.504 -9.623 -2.475 1.00 0.00 O ATOM 172 CB THR A 18 -2.933 -11.502 -0.801 1.00 0.00 C ATOM 173 OG1 THR A 18 -3.680 -10.784 -1.761 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.434 -11.096 0.572 1.00 0.00 C ATOM 0 H THR A 18 -1.302 -9.135 -0.388 1.00 0.00 H new ATOM 0 HA THR A 18 -0.877 -12.082 -0.739 1.00 0.00 H new ATOM 0 HB THR A 18 -3.055 -12.576 -0.941 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.557 -11.206 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.493 -11.338 0.659 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.875 -11.635 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.294 -10.024 0.708 1.00 0.00 H new ATOM 182 N PRO A 19 -1.589 -11.311 -3.387 1.00 0.00 N ATOM 183 CA PRO A 19 -1.338 -10.810 -4.741 1.00 0.00 C ATOM 184 C PRO A 19 -2.198 -9.562 -4.979 1.00 0.00 C ATOM 185 O PRO A 19 -1.923 -8.751 -5.845 1.00 0.00 O ATOM 186 CB PRO A 19 -1.720 -11.984 -5.649 1.00 0.00 C ATOM 187 CG PRO A 19 -2.654 -12.892 -4.817 1.00 0.00 C ATOM 188 CD PRO A 19 -2.368 -12.575 -3.336 1.00 0.00 C ATOM 0 HA PRO A 19 -0.309 -10.501 -4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.222 -11.631 -6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.834 -12.530 -5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.699 -12.700 -5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.465 -13.944 -5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.290 -12.454 -2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.802 -13.375 -2.858 1.00 0.00 H new ATOM 196 N GLU A 20 -3.216 -9.376 -4.179 1.00 0.00 N ATOM 197 CA GLU A 20 -4.067 -8.165 -4.339 1.00 0.00 C ATOM 198 C GLU A 20 -3.392 -7.001 -3.628 1.00 0.00 C ATOM 199 O GLU A 20 -3.271 -5.916 -4.162 1.00 0.00 O ATOM 200 CB GLU A 20 -5.448 -8.417 -3.732 1.00 0.00 C ATOM 201 CG GLU A 20 -5.970 -9.777 -4.200 1.00 0.00 C ATOM 202 CD GLU A 20 -7.147 -9.572 -5.157 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.206 -9.189 -4.687 1.00 0.00 O ATOM 204 OE2 GLU A 20 -6.969 -9.802 -6.341 1.00 0.00 O ATOM 0 H GLU A 20 -3.492 -10.007 -3.427 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.189 -7.933 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.389 -8.393 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.138 -7.628 -4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.175 -10.331 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.284 -10.372 -3.343 1.00 0.00 H new ATOM 211 N ILE A 21 -2.924 -7.229 -2.437 1.00 0.00 N ATOM 212 CA ILE A 21 -2.221 -6.153 -1.698 1.00 0.00 C ATOM 213 C ILE A 21 -1.041 -5.718 -2.548 1.00 0.00 C ATOM 214 O ILE A 21 -0.869 -4.557 -2.867 1.00 0.00 O ATOM 215 CB ILE A 21 -1.735 -6.722 -0.365 1.00 0.00 C ATOM 216 CG1 ILE A 21 -2.881 -7.492 0.305 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.279 -5.587 0.554 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.215 -6.800 0.023 1.00 0.00 C ATOM 0 H ILE A 21 -2.999 -8.118 -1.942 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.873 -5.302 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.895 -7.393 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.908 -8.516 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.712 -7.548 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.935 -6.002 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.464 -5.040 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.113 -4.909 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.021 -7.355 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.188 -5.784 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.388 -6.767 -1.053 1.00 0.00 H new ATOM 230 N GLN A 22 -0.241 -6.663 -2.934 1.00 0.00 N ATOM 231 CA GLN A 22 0.931 -6.344 -3.795 1.00 0.00 C ATOM 232 C GLN A 22 0.420 -5.745 -5.116 1.00 0.00 C ATOM 233 O GLN A 22 1.144 -5.078 -5.822 1.00 0.00 O ATOM 234 CB GLN A 22 1.776 -7.614 -4.033 1.00 0.00 C ATOM 235 CG GLN A 22 2.117 -7.801 -5.521 1.00 0.00 C ATOM 236 CD GLN A 22 3.093 -6.712 -6.002 1.00 0.00 C ATOM 237 OE1 GLN A 22 3.539 -6.751 -7.132 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.450 -5.739 -5.202 1.00 0.00 N ATOM 0 H GLN A 22 -0.345 -7.648 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 22 1.576 -5.614 -3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.697 -7.552 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.231 -8.486 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.559 -8.785 -5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.204 -7.765 -6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.081 -5.698 -4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.097 -5.022 -5.529 1.00 0.00 H new ATOM 247 N GLU A 23 -0.821 -5.962 -5.459 1.00 0.00 N ATOM 248 CA GLU A 23 -1.334 -5.361 -6.722 1.00 0.00 C ATOM 249 C GLU A 23 -1.534 -3.855 -6.499 1.00 0.00 C ATOM 250 O GLU A 23 -1.290 -3.054 -7.374 1.00 0.00 O ATOM 251 CB GLU A 23 -2.665 -6.011 -7.111 1.00 0.00 C ATOM 252 CG GLU A 23 -2.712 -6.214 -8.627 1.00 0.00 C ATOM 253 CD GLU A 23 -3.051 -4.888 -9.310 1.00 0.00 C ATOM 254 OE1 GLU A 23 -4.150 -4.400 -9.102 1.00 0.00 O ATOM 255 OE2 GLU A 23 -2.206 -4.381 -10.030 1.00 0.00 O ATOM 0 H GLU A 23 -1.491 -6.519 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.620 -5.528 -7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.777 -6.968 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.496 -5.382 -6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.751 -6.584 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.458 -6.967 -8.881 1.00 0.00 H new ATOM 262 N ILE A 24 -1.948 -3.480 -5.316 1.00 0.00 N ATOM 263 CA ILE A 24 -2.149 -2.034 -4.972 1.00 0.00 C ATOM 264 C ILE A 24 -0.803 -1.329 -4.999 1.00 0.00 C ATOM 265 O ILE A 24 -0.628 -0.310 -5.636 1.00 0.00 O ATOM 266 CB ILE A 24 -2.727 -1.962 -3.562 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.194 -2.386 -3.591 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.622 -0.541 -3.032 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.472 -3.293 -2.396 1.00 0.00 C ATOM 0 H ILE A 24 -2.160 -4.127 -4.556 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.823 -1.558 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.165 -2.631 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.840 -1.509 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.416 -2.909 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.037 -0.497 -2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.575 -0.238 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.179 0.132 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.518 -3.601 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.833 -4.175 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.264 -2.752 -1.473 1.00 0.00 H new ATOM 281 N VAL A 25 0.145 -1.879 -4.315 1.00 0.00 N ATOM 282 CA VAL A 25 1.499 -1.283 -4.276 1.00 0.00 C ATOM 283 C VAL A 25 2.071 -1.285 -5.678 1.00 0.00 C ATOM 284 O VAL A 25 2.664 -0.329 -6.133 1.00 0.00 O ATOM 285 CB VAL A 25 2.340 -2.168 -3.396 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.360 -3.534 -4.007 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.757 -1.668 -3.320 1.00 0.00 C ATOM 0 H VAL A 25 0.039 -2.734 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 25 1.477 -0.261 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 25 1.917 -2.176 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.963 -4.200 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.342 -3.920 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.789 -3.479 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.341 -2.327 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.193 -1.656 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.765 -0.659 -2.908 1.00 0.00 H new ATOM 297 N ASP A 26 1.864 -2.360 -6.367 1.00 0.00 N ATOM 298 CA ASP A 26 2.353 -2.459 -7.763 1.00 0.00 C ATOM 299 C ASP A 26 1.505 -1.512 -8.594 1.00 0.00 C ATOM 300 O ASP A 26 1.884 -1.084 -9.666 1.00 0.00 O ATOM 301 CB ASP A 26 2.187 -3.893 -8.272 1.00 0.00 C ATOM 302 CG ASP A 26 3.144 -4.138 -9.441 1.00 0.00 C ATOM 303 OD1 ASP A 26 2.993 -3.475 -10.454 1.00 0.00 O ATOM 304 OD2 ASP A 26 4.011 -4.986 -9.303 1.00 0.00 O ATOM 0 H ASP A 26 1.372 -3.184 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 26 3.409 -2.198 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.390 -4.601 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.158 -4.060 -8.590 1.00 0.00 H new ATOM 309 N LYS A 27 0.358 -1.162 -8.077 1.00 0.00 N ATOM 310 CA LYS A 27 -0.527 -0.209 -8.809 1.00 0.00 C ATOM 311 C LYS A 27 0.003 1.202 -8.579 1.00 0.00 C ATOM 312 O LYS A 27 -0.282 2.120 -9.320 1.00 0.00 O ATOM 313 CB LYS A 27 -1.966 -0.299 -8.284 1.00 0.00 C ATOM 314 CG LYS A 27 -2.941 -0.225 -9.461 1.00 0.00 C ATOM 315 CD LYS A 27 -4.009 -1.308 -9.306 1.00 0.00 C ATOM 316 CE LYS A 27 -5.220 -0.962 -10.175 1.00 0.00 C ATOM 317 NZ LYS A 27 -6.145 -2.130 -10.221 1.00 0.00 N ATOM 0 H LYS A 27 -0.004 -1.493 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.530 -0.455 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.108 -1.231 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.161 0.513 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.408 0.759 -9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.405 -0.360 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.604 -2.277 -9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.310 -1.390 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.736 -0.091 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.896 -0.700 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.445 -2.297 -11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.656 -2.974 -9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.980 -1.935 -9.632 1.00 0.00 H new ATOM 331 N VAL A 28 0.772 1.373 -7.539 1.00 0.00 N ATOM 332 CA VAL A 28 1.327 2.716 -7.228 1.00 0.00 C ATOM 333 C VAL A 28 2.858 2.677 -7.294 1.00 0.00 C ATOM 334 O VAL A 28 3.520 3.657 -7.028 1.00 0.00 O ATOM 335 CB VAL A 28 0.882 3.113 -5.826 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.628 3.359 -5.823 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.214 1.985 -4.856 1.00 0.00 C ATOM 0 H VAL A 28 1.040 0.634 -6.889 1.00 0.00 H new ATOM 0 HA VAL A 28 0.965 3.443 -7.954 1.00 0.00 H new ATOM 0 HB VAL A 28 1.399 4.023 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.948 3.643 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.867 4.161 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.146 2.448 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.897 2.264 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.693 1.077 -5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.289 1.805 -4.861 1.00 0.00 H new ATOM 347 N LYS A 29 3.424 1.556 -7.656 1.00 0.00 N ATOM 348 CA LYS A 29 4.907 1.462 -7.749 1.00 0.00 C ATOM 349 C LYS A 29 5.454 2.665 -8.533 1.00 0.00 C ATOM 350 O LYS A 29 6.397 3.294 -8.093 1.00 0.00 O ATOM 351 CB LYS A 29 5.283 0.142 -8.437 1.00 0.00 C ATOM 352 CG LYS A 29 6.684 0.234 -9.048 1.00 0.00 C ATOM 353 CD LYS A 29 7.040 -1.106 -9.696 1.00 0.00 C ATOM 354 CE LYS A 29 7.724 -0.860 -11.041 1.00 0.00 C ATOM 355 NZ LYS A 29 8.787 0.171 -10.876 1.00 0.00 N ATOM 0 H LYS A 29 2.920 0.701 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 29 5.347 1.477 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.248 -0.674 -7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.555 -0.089 -9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.718 1.031 -9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.414 0.484 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.699 -1.675 -9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.139 -1.703 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.157 -1.787 -11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.992 -0.529 -11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.572 -0.033 -11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.396 1.111 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.136 0.156 -9.896 1.00 0.00 H new ATOM 369 N PRO A 30 4.850 2.972 -9.659 1.00 0.00 N ATOM 370 CA PRO A 30 5.280 4.118 -10.476 1.00 0.00 C ATOM 371 C PRO A 30 4.807 5.409 -9.811 1.00 0.00 C ATOM 372 O PRO A 30 5.419 6.452 -9.939 1.00 0.00 O ATOM 373 CB PRO A 30 4.599 3.886 -11.827 1.00 0.00 C ATOM 374 CG PRO A 30 3.400 2.950 -11.552 1.00 0.00 C ATOM 375 CD PRO A 30 3.698 2.231 -10.221 1.00 0.00 C ATOM 0 HA PRO A 30 6.361 4.206 -10.587 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.265 4.828 -12.261 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.290 3.434 -12.539 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.472 3.518 -11.486 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.276 2.231 -12.362 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.839 2.262 -9.551 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.940 1.180 -10.381 1.00 0.00 H new ATOM 383 N GLN A 31 3.738 5.333 -9.068 1.00 0.00 N ATOM 384 CA GLN A 31 3.240 6.537 -8.352 1.00 0.00 C ATOM 385 C GLN A 31 4.032 6.677 -7.048 1.00 0.00 C ATOM 386 O GLN A 31 3.831 7.590 -6.279 1.00 0.00 O ATOM 387 CB GLN A 31 1.750 6.371 -8.037 1.00 0.00 C ATOM 388 CG GLN A 31 0.944 6.451 -9.335 1.00 0.00 C ATOM 389 CD GLN A 31 0.050 5.216 -9.459 1.00 0.00 C ATOM 390 OE1 GLN A 31 0.241 4.399 -10.339 1.00 0.00 O ATOM 391 NE2 GLN A 31 -0.928 5.044 -8.612 1.00 0.00 N ATOM 0 H GLN A 31 3.188 4.486 -8.926 1.00 0.00 H new ATOM 0 HA GLN A 31 3.370 7.425 -8.970 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.575 5.414 -7.546 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.424 7.148 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.336 7.355 -9.342 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.617 6.513 -10.190 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.089 5.729 -7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.531 4.225 -8.689 1.00 0.00 H new ATOM 400 N LEU A 32 4.932 5.760 -6.801 1.00 0.00 N ATOM 401 CA LEU A 32 5.756 5.805 -5.564 1.00 0.00 C ATOM 402 C LEU A 32 7.132 6.375 -5.896 1.00 0.00 C ATOM 403 O LEU A 32 7.757 7.039 -5.095 1.00 0.00 O ATOM 404 CB LEU A 32 5.918 4.388 -5.033 1.00 0.00 C ATOM 405 CG LEU A 32 4.861 4.141 -3.966 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.569 2.650 -3.891 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.372 4.633 -2.610 1.00 0.00 C ATOM 0 H LEU A 32 5.131 4.971 -7.416 1.00 0.00 H new ATOM 0 HA LEU A 32 5.271 6.433 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.812 3.667 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.915 4.253 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 32 3.950 4.682 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.812 2.465 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.203 2.302 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.482 2.113 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.613 4.455 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.283 4.095 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.585 5.700 -2.667 1.00 0.00 H new ATOM 419 N GLU A 33 7.612 6.098 -7.073 1.00 0.00 N ATOM 420 CA GLU A 33 8.956 6.592 -7.480 1.00 0.00 C ATOM 421 C GLU A 33 8.917 8.095 -7.779 1.00 0.00 C ATOM 422 O GLU A 33 9.890 8.789 -7.590 1.00 0.00 O ATOM 423 CB GLU A 33 9.399 5.836 -8.738 1.00 0.00 C ATOM 424 CG GLU A 33 9.140 4.339 -8.555 1.00 0.00 C ATOM 425 CD GLU A 33 10.471 3.584 -8.560 1.00 0.00 C ATOM 426 OE1 GLU A 33 11.486 4.209 -8.305 1.00 0.00 O ATOM 427 OE2 GLU A 33 10.451 2.391 -8.818 1.00 0.00 O ATOM 0 H GLU A 33 7.126 5.545 -7.779 1.00 0.00 H new ATOM 0 HA GLU A 33 9.659 6.421 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.855 6.206 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.458 6.012 -8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.614 4.163 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.498 3.970 -9.355 1.00 0.00 H new ATOM 434 N GLU A 34 7.827 8.610 -8.270 1.00 0.00 N ATOM 435 CA GLU A 34 7.808 10.067 -8.592 1.00 0.00 C ATOM 436 C GLU A 34 7.085 10.884 -7.515 1.00 0.00 C ATOM 437 O GLU A 34 7.045 12.096 -7.584 1.00 0.00 O ATOM 438 CB GLU A 34 7.117 10.281 -9.939 1.00 0.00 C ATOM 439 CG GLU A 34 7.137 11.771 -10.290 1.00 0.00 C ATOM 440 CD GLU A 34 7.426 11.942 -11.783 1.00 0.00 C ATOM 441 OE1 GLU A 34 7.199 10.998 -12.522 1.00 0.00 O ATOM 442 OE2 GLU A 34 7.868 13.015 -12.160 1.00 0.00 O ATOM 0 H GLU A 34 6.964 8.101 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 34 8.841 10.411 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.623 9.707 -10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.089 9.920 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.179 12.227 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.897 12.284 -9.701 1.00 0.00 H new ATOM 449 N LYS A 35 6.511 10.260 -6.529 1.00 0.00 N ATOM 450 CA LYS A 35 5.802 11.058 -5.486 1.00 0.00 C ATOM 451 C LYS A 35 6.684 11.217 -4.247 1.00 0.00 C ATOM 452 O LYS A 35 6.385 11.993 -3.362 1.00 0.00 O ATOM 453 CB LYS A 35 4.498 10.362 -5.101 1.00 0.00 C ATOM 454 CG LYS A 35 3.313 11.213 -5.560 1.00 0.00 C ATOM 455 CD LYS A 35 2.389 10.374 -6.446 1.00 0.00 C ATOM 456 CE LYS A 35 2.522 10.830 -7.901 1.00 0.00 C ATOM 457 NZ LYS A 35 1.372 10.307 -8.693 1.00 0.00 N ATOM 0 H LYS A 35 6.499 9.249 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 35 5.581 12.046 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.450 9.375 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.457 10.214 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.764 11.586 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.669 12.083 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.646 9.318 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.356 10.479 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.547 11.919 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.461 10.470 -8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.462 10.617 -9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.368 9.268 -8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.483 10.671 -8.296 1.00 0.00 H new ATOM 471 N THR A 36 7.764 10.489 -4.166 1.00 0.00 N ATOM 472 CA THR A 36 8.643 10.618 -2.966 1.00 0.00 C ATOM 473 C THR A 36 10.124 10.571 -3.365 1.00 0.00 C ATOM 474 O THR A 36 10.957 11.142 -2.693 1.00 0.00 O ATOM 475 CB THR A 36 8.354 9.478 -1.987 1.00 0.00 C ATOM 476 OG1 THR A 36 9.543 9.154 -1.279 1.00 0.00 O ATOM 477 CG2 THR A 36 7.861 8.248 -2.748 1.00 0.00 C ATOM 0 H THR A 36 8.074 9.818 -4.869 1.00 0.00 H new ATOM 0 HA THR A 36 8.434 11.578 -2.494 1.00 0.00 H new ATOM 0 HB THR A 36 7.582 9.794 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.912 8.315 -1.626 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.658 7.442 -2.043 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.948 8.496 -3.288 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.626 7.927 -3.456 1.00 0.00 H new ATOM 485 N ASN A 37 10.453 9.901 -4.446 1.00 0.00 N ATOM 486 CA ASN A 37 11.866 9.794 -4.902 1.00 0.00 C ATOM 487 C ASN A 37 12.014 8.448 -5.603 1.00 0.00 C ATOM 488 O ASN A 37 11.986 7.400 -4.990 1.00 0.00 O ATOM 489 CB ASN A 37 12.860 9.882 -3.730 1.00 0.00 C ATOM 490 CG ASN A 37 12.436 8.955 -2.588 1.00 0.00 C ATOM 491 OD1 ASN A 37 12.365 7.757 -2.757 1.00 0.00 O ATOM 492 ND2 ASN A 37 12.177 9.459 -1.412 1.00 0.00 N ATOM 0 H ASN A 37 9.781 9.415 -5.040 1.00 0.00 H new ATOM 0 HA ASN A 37 12.093 10.624 -5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.859 9.611 -4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 37 12.915 10.909 -3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.916 8.845 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.235 10.467 -1.265 1.00 0.00 H new ATOM 499 N GLU A 38 12.124 8.471 -6.890 1.00 0.00 N ATOM 500 CA GLU A 38 12.224 7.210 -7.656 1.00 0.00 C ATOM 501 C GLU A 38 13.532 6.504 -7.324 1.00 0.00 C ATOM 502 O GLU A 38 14.602 6.885 -7.756 1.00 0.00 O ATOM 503 CB GLU A 38 12.166 7.541 -9.145 1.00 0.00 C ATOM 504 CG GLU A 38 12.768 6.400 -9.958 1.00 0.00 C ATOM 505 CD GLU A 38 12.754 6.762 -11.446 1.00 0.00 C ATOM 506 OE1 GLU A 38 12.744 7.944 -11.748 1.00 0.00 O ATOM 507 OE2 GLU A 38 12.755 5.851 -12.258 1.00 0.00 O ATOM 0 H GLU A 38 12.149 9.321 -7.454 1.00 0.00 H new ATOM 0 HA GLU A 38 11.400 6.547 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.133 7.709 -9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.710 8.465 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.790 6.207 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.201 5.484 -9.792 1.00 0.00 H new ATOM 514 N THR A 39 13.429 5.469 -6.553 1.00 0.00 N ATOM 515 CA THR A 39 14.634 4.690 -6.157 1.00 0.00 C ATOM 516 C THR A 39 14.216 3.279 -5.719 1.00 0.00 C ATOM 517 O THR A 39 14.982 2.550 -5.120 1.00 0.00 O ATOM 518 CB THR A 39 15.333 5.397 -4.999 1.00 0.00 C ATOM 519 OG1 THR A 39 15.850 6.641 -5.449 1.00 0.00 O ATOM 520 CG2 THR A 39 16.471 4.523 -4.482 1.00 0.00 C ATOM 0 H THR A 39 12.550 5.120 -6.172 1.00 0.00 H new ATOM 0 HA THR A 39 15.314 4.616 -7.005 1.00 0.00 H new ATOM 0 HB THR A 39 14.620 5.572 -4.194 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.744 6.707 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 39 16.970 5.028 -3.655 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.070 3.570 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.187 4.346 -5.284 1.00 0.00 H new ATOM 528 N TYR A 40 13.010 2.886 -6.019 1.00 0.00 N ATOM 529 CA TYR A 40 12.547 1.522 -5.627 1.00 0.00 C ATOM 530 C TYR A 40 12.349 0.678 -6.886 1.00 0.00 C ATOM 531 O TYR A 40 12.627 1.106 -7.988 1.00 0.00 O ATOM 532 CB TYR A 40 11.209 1.596 -4.874 1.00 0.00 C ATOM 533 CG TYR A 40 10.969 2.985 -4.328 1.00 0.00 C ATOM 534 CD1 TYR A 40 11.992 3.673 -3.664 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.710 3.582 -4.480 1.00 0.00 C ATOM 536 CE1 TYR A 40 11.757 4.955 -3.155 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.476 4.863 -3.973 1.00 0.00 C ATOM 538 CZ TYR A 40 10.498 5.549 -3.311 1.00 0.00 C ATOM 539 OH TYR A 40 10.263 6.810 -2.805 1.00 0.00 O ATOM 0 H TYR A 40 12.323 3.450 -6.519 1.00 0.00 H new ATOM 0 HA TYR A 40 13.299 1.075 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.395 1.319 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 40 11.208 0.875 -4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.962 3.214 -3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.920 3.051 -4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.545 5.486 -2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.506 5.323 -4.093 1.00 0.00 H new ATOM 0 HH TYR A 40 11.117 7.246 -2.602 1.00 0.00 H new ATOM 549 N GLY A 43 11.858 -0.519 -6.724 1.00 0.00 N ATOM 550 CA GLY A 43 11.625 -1.403 -7.901 1.00 0.00 C ATOM 551 C GLY A 43 10.382 -2.258 -7.650 1.00 0.00 C ATOM 552 O GLY A 43 9.269 -1.771 -7.655 1.00 0.00 O ATOM 0 H GLY A 43 11.607 -0.925 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.492 -0.803 -8.801 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.492 -2.041 -8.069 1.00 0.00 H new ATOM 556 N LYS A 44 10.562 -3.529 -7.420 1.00 0.00 N ATOM 557 CA LYS A 44 9.397 -4.415 -7.157 1.00 0.00 C ATOM 558 C LYS A 44 8.934 -4.204 -5.723 1.00 0.00 C ATOM 559 O LYS A 44 9.733 -4.157 -4.808 1.00 0.00 O ATOM 560 CB LYS A 44 9.816 -5.873 -7.333 1.00 0.00 C ATOM 561 CG LYS A 44 9.744 -6.248 -8.814 1.00 0.00 C ATOM 562 CD LYS A 44 11.031 -5.804 -9.511 1.00 0.00 C ATOM 563 CE LYS A 44 12.041 -6.953 -9.491 1.00 0.00 C ATOM 564 NZ LYS A 44 12.823 -6.950 -10.759 1.00 0.00 N ATOM 0 H LYS A 44 11.470 -3.993 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 44 8.591 -4.180 -7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.829 -6.019 -6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.164 -6.523 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.611 -7.324 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.881 -5.772 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.818 -5.510 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.447 -4.930 -9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.711 -6.847 -8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.523 -7.905 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.510 -7.731 -10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.177 -7.071 -11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.329 -6.046 -10.853 1.00 0.00 H new ATOM 578 N LEU A 45 7.659 -4.075 -5.506 1.00 0.00 N ATOM 579 CA LEU A 45 7.178 -3.867 -4.130 1.00 0.00 C ATOM 580 C LEU A 45 6.485 -5.145 -3.660 1.00 0.00 C ATOM 581 O LEU A 45 5.283 -5.283 -3.739 1.00 0.00 O ATOM 582 CB LEU A 45 6.232 -2.674 -4.144 1.00 0.00 C ATOM 583 CG LEU A 45 6.865 -1.588 -5.014 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.009 -0.317 -4.976 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.274 -1.296 -4.478 1.00 0.00 C ATOM 0 H LEU A 45 6.935 -4.105 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 45 7.993 -3.656 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.259 -2.963 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.067 -2.305 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 45 6.925 -1.927 -6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.469 0.450 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.010 -0.539 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.938 0.043 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.742 -0.523 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.207 -0.954 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.875 -2.204 -4.521 1.00 0.00 H new ATOM 597 N GLU A 46 7.255 -6.088 -3.184 1.00 0.00 N ATOM 598 CA GLU A 46 6.669 -7.384 -2.721 1.00 0.00 C ATOM 599 C GLU A 46 5.910 -7.175 -1.411 1.00 0.00 C ATOM 600 O GLU A 46 6.445 -7.356 -0.339 1.00 0.00 O ATOM 601 CB GLU A 46 7.792 -8.400 -2.500 1.00 0.00 C ATOM 602 CG GLU A 46 7.958 -9.261 -3.754 1.00 0.00 C ATOM 603 CD GLU A 46 9.393 -9.784 -3.824 1.00 0.00 C ATOM 604 OE1 GLU A 46 9.770 -10.541 -2.944 1.00 0.00 O ATOM 605 OE2 GLU A 46 10.093 -9.417 -4.753 1.00 0.00 O ATOM 0 H GLU A 46 8.269 -6.017 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 46 5.980 -7.756 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.725 -7.883 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.562 -9.031 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.256 -10.095 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.729 -8.675 -4.644 1.00 0.00 H new ATOM 612 N ALA A 47 4.669 -6.781 -1.488 1.00 0.00 N ATOM 613 CA ALA A 47 3.884 -6.547 -0.244 1.00 0.00 C ATOM 614 C ALA A 47 4.193 -7.631 0.780 1.00 0.00 C ATOM 615 O ALA A 47 4.617 -8.722 0.456 1.00 0.00 O ATOM 616 CB ALA A 47 2.397 -6.548 -0.564 1.00 0.00 C ATOM 0 H ALA A 47 4.165 -6.611 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 47 4.160 -5.578 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.828 -6.376 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.179 -5.757 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.117 -7.511 -0.990 1.00 0.00 H new ATOM 622 N VAL A 48 3.998 -7.308 2.017 1.00 0.00 N ATOM 623 CA VAL A 48 4.285 -8.265 3.113 1.00 0.00 C ATOM 624 C VAL A 48 3.116 -8.230 4.086 1.00 0.00 C ATOM 625 O VAL A 48 2.659 -9.242 4.578 1.00 0.00 O ATOM 626 CB VAL A 48 5.577 -7.801 3.803 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.519 -8.059 5.314 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.764 -8.550 3.200 1.00 0.00 C ATOM 0 H VAL A 48 3.644 -6.402 2.325 1.00 0.00 H new ATOM 0 HA VAL A 48 4.412 -9.283 2.746 1.00 0.00 H new ATOM 0 HB VAL A 48 5.691 -6.728 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.446 -7.721 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.679 -7.514 5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.390 -9.126 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.684 -8.225 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.633 -9.621 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.823 -8.339 2.132 1.00 0.00 H new ATOM 638 N GLN A 49 2.640 -7.057 4.356 1.00 0.00 N ATOM 639 CA GLN A 49 1.494 -6.904 5.291 1.00 0.00 C ATOM 640 C GLN A 49 0.601 -5.790 4.761 1.00 0.00 C ATOM 641 O GLN A 49 0.978 -5.073 3.858 1.00 0.00 O ATOM 642 CB GLN A 49 2.026 -6.538 6.682 1.00 0.00 C ATOM 643 CG GLN A 49 0.910 -5.922 7.530 1.00 0.00 C ATOM 644 CD GLN A 49 1.429 -5.680 8.949 1.00 0.00 C ATOM 645 OE1 GLN A 49 1.684 -6.615 9.681 1.00 0.00 O ATOM 646 NE2 GLN A 49 1.606 -4.457 9.368 1.00 0.00 N ATOM 0 H GLN A 49 2.997 -6.184 3.967 1.00 0.00 H new ATOM 0 HA GLN A 49 0.926 -7.831 5.366 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.418 -7.428 7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.853 -5.834 6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.577 -4.983 7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.047 -6.587 7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.392 -3.671 8.754 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.958 -4.287 10.310 1.00 0.00 H new ATOM 655 N TYR A 50 -0.575 -5.622 5.294 1.00 0.00 N ATOM 656 CA TYR A 50 -1.430 -4.540 4.782 1.00 0.00 C ATOM 657 C TYR A 50 -2.612 -4.307 5.705 1.00 0.00 C ATOM 658 O TYR A 50 -3.251 -5.224 6.180 1.00 0.00 O ATOM 659 CB TYR A 50 -1.911 -4.887 3.394 1.00 0.00 C ATOM 660 CG TYR A 50 -3.124 -5.783 3.438 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.967 -7.160 3.605 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.404 -5.235 3.294 1.00 0.00 C ATOM 663 CE1 TYR A 50 -4.088 -7.993 3.629 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.528 -6.067 3.321 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.370 -7.448 3.488 1.00 0.00 C ATOM 666 OH TYR A 50 -6.477 -8.272 3.511 1.00 0.00 O ATOM 0 H TYR A 50 -0.969 -6.182 6.050 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.846 -3.621 4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.152 -3.973 2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.111 -5.382 2.844 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.979 -7.581 3.716 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.524 -4.170 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.966 -9.058 3.756 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.516 -5.645 3.213 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.288 -7.733 3.401 1.00 0.00 H new ATOM 676 N LYS A 51 -2.903 -3.074 5.944 1.00 0.00 N ATOM 677 CA LYS A 51 -4.056 -2.736 6.828 1.00 0.00 C ATOM 678 C LYS A 51 -5.158 -2.069 5.997 1.00 0.00 C ATOM 679 O LYS A 51 -4.901 -1.206 5.182 1.00 0.00 O ATOM 680 CB LYS A 51 -3.595 -1.790 7.940 1.00 0.00 C ATOM 681 CG LYS A 51 -3.191 -2.609 9.168 1.00 0.00 C ATOM 682 CD LYS A 51 -3.386 -1.766 10.429 1.00 0.00 C ATOM 683 CE LYS A 51 -2.640 -2.414 11.597 1.00 0.00 C ATOM 684 NZ LYS A 51 -2.859 -1.609 12.832 1.00 0.00 N ATOM 0 H LYS A 51 -2.395 -2.273 5.568 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.448 -3.648 7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.753 -1.190 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.396 -1.097 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.792 -3.516 9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.150 -2.921 9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.016 -0.754 10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.447 -1.683 10.663 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.993 -3.434 11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.575 -2.475 11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.940 -1.341 13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.396 -0.750 12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.393 -2.173 13.524 1.00 0.00 H new ATOM 698 N THR A 52 -6.386 -2.467 6.193 1.00 0.00 N ATOM 699 CA THR A 52 -7.504 -1.862 5.412 1.00 0.00 C ATOM 700 C THR A 52 -8.019 -0.614 6.129 1.00 0.00 C ATOM 701 O THR A 52 -7.587 -0.280 7.215 1.00 0.00 O ATOM 702 CB THR A 52 -8.639 -2.880 5.280 1.00 0.00 C ATOM 703 OG1 THR A 52 -9.030 -3.321 6.573 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.160 -4.074 4.452 1.00 0.00 C ATOM 0 H THR A 52 -6.664 -3.186 6.861 1.00 0.00 H new ATOM 0 HA THR A 52 -7.144 -1.584 4.421 1.00 0.00 H new ATOM 0 HB THR A 52 -9.491 -2.415 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.758 -3.972 6.490 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.968 -4.799 4.358 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.861 -3.733 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.309 -4.542 4.947 1.00 0.00 H new ATOM 712 N GLN A 53 -8.939 0.079 5.521 1.00 0.00 N ATOM 713 CA GLN A 53 -9.494 1.314 6.141 1.00 0.00 C ATOM 714 C GLN A 53 -10.935 1.489 5.676 1.00 0.00 C ATOM 715 O GLN A 53 -11.331 0.955 4.660 1.00 0.00 O ATOM 716 CB GLN A 53 -8.690 2.516 5.663 1.00 0.00 C ATOM 717 CG GLN A 53 -8.233 3.363 6.846 1.00 0.00 C ATOM 718 CD GLN A 53 -9.453 3.965 7.544 1.00 0.00 C ATOM 719 OE1 GLN A 53 -10.315 4.533 6.904 1.00 0.00 O ATOM 720 NE2 GLN A 53 -9.565 3.864 8.840 1.00 0.00 N ATOM 0 H GLN A 53 -9.335 -0.160 4.612 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.447 1.236 7.227 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.823 2.178 5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.296 3.121 4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.665 2.751 7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.568 4.156 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.842 3.387 9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.376 4.262 9.314 1.00 0.00 H new ATOM 729 N VAL A 54 -11.726 2.235 6.392 1.00 0.00 N ATOM 730 CA VAL A 54 -13.127 2.428 5.951 1.00 0.00 C ATOM 731 C VAL A 54 -13.483 3.921 5.930 1.00 0.00 C ATOM 732 O VAL A 54 -13.160 4.667 6.832 1.00 0.00 O ATOM 733 CB VAL A 54 -14.059 1.653 6.880 1.00 0.00 C ATOM 734 CG1 VAL A 54 -14.672 2.583 7.919 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.170 1.020 6.040 1.00 0.00 C ATOM 0 H VAL A 54 -11.464 2.714 7.254 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.245 2.047 4.936 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.491 0.882 7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.333 2.013 8.572 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.879 3.038 8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -15.243 3.364 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.845 0.462 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.727 1.802 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.731 0.344 5.307 1.00 0.00 H new ATOM 745 N VAL A 55 -14.160 4.342 4.902 1.00 0.00 N ATOM 746 CA VAL A 55 -14.573 5.769 4.776 1.00 0.00 C ATOM 747 C VAL A 55 -15.654 5.836 3.694 1.00 0.00 C ATOM 748 O VAL A 55 -16.809 5.548 3.937 1.00 0.00 O ATOM 749 CB VAL A 55 -13.369 6.624 4.358 1.00 0.00 C ATOM 750 CG1 VAL A 55 -12.625 7.126 5.595 1.00 0.00 C ATOM 751 CG2 VAL A 55 -12.416 5.780 3.508 1.00 0.00 C ATOM 0 H VAL A 55 -14.452 3.747 4.127 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.950 6.147 5.726 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.725 7.478 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.773 7.731 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.298 7.730 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.273 6.275 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.560 6.386 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.071 4.925 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.938 5.427 2.618 1.00 0.00 H new ATOM 761 N ALA A 56 -15.276 6.163 2.490 1.00 0.00 N ATOM 762 CA ALA A 56 -16.256 6.192 1.374 1.00 0.00 C ATOM 763 C ALA A 56 -15.938 4.993 0.489 1.00 0.00 C ATOM 764 O ALA A 56 -16.139 5.000 -0.709 1.00 0.00 O ATOM 765 CB ALA A 56 -16.084 7.483 0.581 1.00 0.00 C ATOM 0 H ALA A 56 -14.322 6.413 2.231 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.282 6.150 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.803 7.505 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.254 8.338 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.072 7.530 0.178 1.00 0.00 H new ATOM 771 N GLY A 57 -15.404 3.974 1.099 1.00 0.00 N ATOM 772 CA GLY A 57 -15.005 2.748 0.361 1.00 0.00 C ATOM 773 C GLY A 57 -14.030 1.991 1.244 1.00 0.00 C ATOM 774 O GLY A 57 -14.397 1.423 2.254 1.00 0.00 O ATOM 0 H GLY A 57 -15.224 3.940 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.877 2.134 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.542 3.006 -0.591 1.00 0.00 H new ATOM 778 N THR A 58 -12.789 2.008 0.891 1.00 0.00 N ATOM 779 CA THR A 58 -11.774 1.317 1.730 1.00 0.00 C ATOM 780 C THR A 58 -10.361 1.696 1.291 1.00 0.00 C ATOM 781 O THR A 58 -9.890 1.278 0.252 1.00 0.00 O ATOM 782 CB THR A 58 -11.936 -0.197 1.615 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.317 -0.531 1.615 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.242 -0.860 2.808 1.00 0.00 C ATOM 0 H THR A 58 -12.425 2.469 0.057 1.00 0.00 H new ATOM 0 HA THR A 58 -11.926 1.628 2.764 1.00 0.00 H new ATOM 0 HB THR A 58 -11.487 -0.549 0.686 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.761 -0.088 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.351 -1.942 2.737 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.183 -0.601 2.803 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.697 -0.510 3.734 1.00 0.00 H new ATOM 792 N ASN A 59 -9.668 2.452 2.096 1.00 0.00 N ATOM 793 CA ASN A 59 -8.283 2.825 1.762 1.00 0.00 C ATOM 794 C ASN A 59 -7.424 1.577 1.891 1.00 0.00 C ATOM 795 O ASN A 59 -7.924 0.474 1.998 1.00 0.00 O ATOM 796 CB ASN A 59 -7.827 3.866 2.777 1.00 0.00 C ATOM 797 CG ASN A 59 -8.349 5.251 2.391 1.00 0.00 C ATOM 798 OD1 ASN A 59 -7.941 5.816 1.396 1.00 0.00 O ATOM 799 ND2 ASN A 59 -9.248 5.823 3.149 1.00 0.00 N ATOM 0 H ASN A 59 -10.014 2.827 2.979 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.204 3.229 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.188 3.598 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.738 3.882 2.827 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.608 6.746 2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.589 5.347 3.984 1.00 0.00 H new ATOM 806 N TYR A 60 -6.143 1.739 1.913 1.00 0.00 N ATOM 807 CA TYR A 60 -5.259 0.550 2.070 1.00 0.00 C ATOM 808 C TYR A 60 -4.001 0.933 2.836 1.00 0.00 C ATOM 809 O TYR A 60 -3.602 2.076 2.878 1.00 0.00 O ATOM 810 CB TYR A 60 -4.828 -0.019 0.711 1.00 0.00 C ATOM 811 CG TYR A 60 -6.032 -0.381 -0.114 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.708 0.606 -0.833 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.462 -1.709 -0.174 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.816 0.270 -1.610 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.571 -2.051 -0.951 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.250 -1.061 -1.672 1.00 0.00 C ATOM 817 OH TYR A 60 -9.346 -1.398 -2.438 1.00 0.00 O ATOM 0 H TYR A 60 -5.663 2.635 1.830 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.830 -0.204 2.611 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.222 0.714 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.204 -0.900 0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.372 1.632 -0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.936 -2.472 0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.340 1.035 -2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.904 -3.077 -0.996 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.967 -1.935 -1.902 1.00 0.00 H new ATOM 827 N TYR A 61 -3.366 -0.053 3.390 1.00 0.00 N ATOM 828 CA TYR A 61 -2.092 0.132 4.134 1.00 0.00 C ATOM 829 C TYR A 61 -1.260 -1.064 3.740 1.00 0.00 C ATOM 830 O TYR A 61 -1.789 -2.143 3.608 1.00 0.00 O ATOM 831 CB TYR A 61 -2.343 0.110 5.641 1.00 0.00 C ATOM 832 CG TYR A 61 -2.964 1.411 6.080 1.00 0.00 C ATOM 833 CD1 TYR A 61 -2.226 2.595 6.010 1.00 0.00 C ATOM 834 CD2 TYR A 61 -4.278 1.431 6.560 1.00 0.00 C ATOM 835 CE1 TYR A 61 -2.801 3.801 6.416 1.00 0.00 C ATOM 836 CE2 TYR A 61 -4.854 2.638 6.967 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.117 3.823 6.896 1.00 0.00 C ATOM 838 OH TYR A 61 -4.689 5.012 7.297 1.00 0.00 O ATOM 0 H TYR A 61 -3.690 -1.020 3.357 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.612 1.083 3.904 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.001 -0.721 5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.405 -0.052 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.211 2.578 5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.847 0.515 6.616 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.231 4.717 6.360 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.869 2.655 7.336 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.017 5.561 7.752 1.00 0.00 H new ATOM 848 N ILE A 62 -0.002 -0.930 3.479 1.00 0.00 N ATOM 849 CA ILE A 62 0.719 -2.138 3.031 1.00 0.00 C ATOM 850 C ILE A 62 2.211 -2.035 3.316 1.00 0.00 C ATOM 851 O ILE A 62 2.910 -1.226 2.736 1.00 0.00 O ATOM 852 CB ILE A 62 0.532 -2.318 1.517 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.955 -2.283 1.108 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.110 -3.675 1.127 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.071 -1.954 -0.385 1.00 0.00 C ATOM 0 H ILE A 62 0.544 -0.071 3.552 1.00 0.00 H new ATOM 0 HA ILE A 62 0.310 -2.988 3.578 1.00 0.00 H new ATOM 0 HB ILE A 62 1.039 -1.498 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.422 -3.246 1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.487 -1.536 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.989 -3.827 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.170 -3.706 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.585 -4.463 1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.122 -1.930 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.619 -0.981 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.554 -2.717 -0.967 1.00 0.00 H new ATOM 867 N LYS A 63 2.721 -2.892 4.152 1.00 0.00 N ATOM 868 CA LYS A 63 4.178 -2.881 4.398 1.00 0.00 C ATOM 869 C LYS A 63 4.776 -3.665 3.236 1.00 0.00 C ATOM 870 O LYS A 63 4.675 -4.873 3.182 1.00 0.00 O ATOM 871 CB LYS A 63 4.495 -3.568 5.729 1.00 0.00 C ATOM 872 CG LYS A 63 6.008 -3.700 5.890 1.00 0.00 C ATOM 873 CD LYS A 63 6.527 -2.529 6.723 1.00 0.00 C ATOM 874 CE LYS A 63 7.748 -1.918 6.037 1.00 0.00 C ATOM 875 NZ LYS A 63 7.313 -0.794 5.162 1.00 0.00 N ATOM 0 H LYS A 63 2.192 -3.594 4.670 1.00 0.00 H new ATOM 0 HA LYS A 63 4.581 -1.870 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.080 -2.991 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.028 -4.553 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.253 -4.645 6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.491 -3.709 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.747 -1.777 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.791 -2.870 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.457 -1.559 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.264 -2.675 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.111 -0.145 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.991 -1.170 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.533 -0.280 5.619 1.00 0.00 H new ATOM 889 N VAL A 64 5.323 -2.995 2.266 1.00 0.00 N ATOM 890 CA VAL A 64 5.825 -3.727 1.076 1.00 0.00 C ATOM 891 C VAL A 64 7.342 -3.648 0.945 1.00 0.00 C ATOM 892 O VAL A 64 7.938 -2.606 1.134 1.00 0.00 O ATOM 893 CB VAL A 64 5.212 -3.095 -0.154 1.00 0.00 C ATOM 894 CG1 VAL A 64 5.467 -3.993 -1.349 1.00 0.00 C ATOM 895 CG2 VAL A 64 3.706 -2.917 0.041 1.00 0.00 C ATOM 0 H VAL A 64 5.444 -1.982 2.244 1.00 0.00 H new ATOM 0 HA VAL A 64 5.551 -4.777 1.182 1.00 0.00 H new ATOM 0 HB VAL A 64 5.663 -2.117 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.028 -3.545 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.541 -4.111 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.015 -4.969 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.275 -2.461 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.244 -3.889 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.524 -2.273 0.902 1.00 0.00 H new ATOM 905 N ARG A 65 7.973 -4.731 0.564 1.00 0.00 N ATOM 906 CA ARG A 65 9.449 -4.674 0.362 1.00 0.00 C ATOM 907 C ARG A 65 9.694 -3.816 -0.867 1.00 0.00 C ATOM 908 O ARG A 65 9.207 -4.103 -1.941 1.00 0.00 O ATOM 909 CB ARG A 65 10.061 -6.066 0.128 1.00 0.00 C ATOM 910 CG ARG A 65 9.084 -7.169 0.528 1.00 0.00 C ATOM 911 CD ARG A 65 9.871 -8.406 0.965 1.00 0.00 C ATOM 912 NE ARG A 65 10.209 -9.227 -0.233 1.00 0.00 N ATOM 913 CZ ARG A 65 11.055 -10.215 -0.132 1.00 0.00 C ATOM 914 NH1 ARG A 65 10.864 -11.152 0.757 1.00 0.00 N ATOM 915 NH2 ARG A 65 12.089 -10.267 -0.924 1.00 0.00 N ATOM 0 H ARG A 65 7.537 -5.636 0.387 1.00 0.00 H new ATOM 0 HA ARG A 65 9.916 -4.264 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.330 -6.177 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.981 -6.164 0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.443 -6.826 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.433 -7.415 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.782 -8.107 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.283 -8.995 1.669 1.00 0.00 H new ATOM 0 HE ARG A 65 9.778 -9.016 -1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.052 -11.112 1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.526 -11.924 0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.235 -9.536 -1.621 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.752 -11.038 -0.847 1.00 0.00 H new ATOM 929 N ALA A 66 10.430 -2.757 -0.704 1.00 0.00 N ATOM 930 CA ALA A 66 10.713 -1.834 -1.834 1.00 0.00 C ATOM 931 C ALA A 66 11.870 -2.366 -2.672 1.00 0.00 C ATOM 932 O ALA A 66 12.748 -1.635 -3.086 1.00 0.00 O ATOM 933 CB ALA A 66 11.094 -0.481 -1.259 1.00 0.00 C ATOM 0 H ALA A 66 10.856 -2.486 0.182 1.00 0.00 H new ATOM 0 HA ALA A 66 9.831 -1.749 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.306 0.213 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.270 -0.096 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.980 -0.588 -0.633 1.00 0.00 H new ATOM 939 N GLY A 67 11.866 -3.632 -2.929 1.00 0.00 N ATOM 940 CA GLY A 67 12.953 -4.236 -3.750 1.00 0.00 C ATOM 941 C GLY A 67 13.818 -5.157 -2.885 1.00 0.00 C ATOM 942 O GLY A 67 13.321 -6.022 -2.193 1.00 0.00 O ATOM 0 H GLY A 67 11.154 -4.287 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.523 -4.800 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.569 -3.450 -4.186 1.00 0.00 H new ATOM 946 N ASP A 68 15.113 -4.984 -2.938 1.00 0.00 N ATOM 947 CA ASP A 68 16.027 -5.845 -2.144 1.00 0.00 C ATOM 948 C ASP A 68 15.587 -5.877 -0.671 1.00 0.00 C ATOM 949 O ASP A 68 14.599 -6.495 -0.329 1.00 0.00 O ATOM 950 CB ASP A 68 17.455 -5.302 -2.256 1.00 0.00 C ATOM 951 CG ASP A 68 18.413 -6.233 -1.513 1.00 0.00 C ATOM 952 OD1 ASP A 68 18.641 -7.329 -1.999 1.00 0.00 O ATOM 953 OD2 ASP A 68 18.904 -5.835 -0.470 1.00 0.00 O ATOM 0 H ASP A 68 15.577 -4.274 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 68 15.993 -6.862 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.745 -5.225 -3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.508 -4.298 -1.836 1.00 0.00 H new ATOM 958 N ASN A 92 16.309 -5.228 0.210 1.00 0.00 N ATOM 959 CA ASN A 92 15.914 -5.247 1.647 1.00 0.00 C ATOM 960 C ASN A 92 15.246 -3.918 2.017 1.00 0.00 C ATOM 961 O ASN A 92 14.901 -3.682 3.158 1.00 0.00 O ATOM 962 CB ASN A 92 17.157 -5.467 2.518 1.00 0.00 C ATOM 963 CG ASN A 92 17.927 -4.153 2.679 1.00 0.00 C ATOM 964 OD1 ASN A 92 17.639 -3.371 3.563 1.00 0.00 O ATOM 965 ND2 ASN A 92 18.899 -3.874 1.854 1.00 0.00 N ATOM 0 H ASN A 92 17.149 -4.690 -0.005 1.00 0.00 H new ATOM 0 HA ASN A 92 15.208 -6.060 1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 92 16.862 -5.847 3.496 1.00 0.00 H new ATOM 0 HB3 ASN A 92 17.800 -6.221 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 92 19.416 -3.000 1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 92 19.142 -4.530 1.111 1.00 0.00 H new ATOM 972 N LYS A 93 15.056 -3.052 1.062 1.00 0.00 N ATOM 973 CA LYS A 93 14.404 -1.747 1.362 1.00 0.00 C ATOM 974 C LYS A 93 12.941 -2.011 1.715 1.00 0.00 C ATOM 975 O LYS A 93 12.390 -3.029 1.352 1.00 0.00 O ATOM 976 CB LYS A 93 14.485 -0.850 0.122 1.00 0.00 C ATOM 977 CG LYS A 93 14.067 0.581 0.476 1.00 0.00 C ATOM 978 CD LYS A 93 15.272 1.348 1.019 1.00 0.00 C ATOM 979 CE LYS A 93 14.862 2.790 1.323 1.00 0.00 C ATOM 980 NZ LYS A 93 15.970 3.715 0.948 1.00 0.00 N ATOM 0 H LYS A 93 15.324 -3.191 0.088 1.00 0.00 H new ATOM 0 HA LYS A 93 14.903 -1.252 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.501 -0.853 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.838 -1.242 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.671 1.084 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.269 0.564 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.646 0.867 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.083 1.335 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.958 3.046 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.629 2.897 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.689 4.695 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.822 3.476 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.172 3.620 -0.068 1.00 0.00 H new ATOM 994 N TYR A 94 12.306 -1.121 2.428 1.00 0.00 N ATOM 995 CA TYR A 94 10.885 -1.356 2.793 1.00 0.00 C ATOM 996 C TYR A 94 10.146 -0.027 2.849 1.00 0.00 C ATOM 997 O TYR A 94 10.731 1.009 3.093 1.00 0.00 O ATOM 998 CB TYR A 94 10.814 -2.032 4.158 1.00 0.00 C ATOM 999 CG TYR A 94 10.587 -3.503 3.959 1.00 0.00 C ATOM 1000 CD1 TYR A 94 9.293 -3.979 3.729 1.00 0.00 C ATOM 1001 CD2 TYR A 94 11.666 -4.389 3.996 1.00 0.00 C ATOM 1002 CE1 TYR A 94 9.076 -5.344 3.537 1.00 0.00 C ATOM 1003 CE2 TYR A 94 11.451 -5.756 3.806 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.155 -6.235 3.575 1.00 0.00 C ATOM 1005 OH TYR A 94 9.940 -7.585 3.390 1.00 0.00 O ATOM 0 H TYR A 94 12.708 -0.248 2.770 1.00 0.00 H new ATOM 0 HA TYR A 94 10.422 -1.998 2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 94 11.738 -1.864 4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 94 10.006 -1.602 4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.461 -3.291 3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 94 12.665 -4.018 4.171 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.077 -5.713 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.283 -6.443 3.837 1.00 0.00 H new ATOM 0 HH TYR A 94 10.380 -8.088 4.107 1.00 0.00 H new ATOM 1015 N MET A 95 8.861 -0.041 2.633 1.00 0.00 N ATOM 1016 CA MET A 95 8.108 1.236 2.688 1.00 0.00 C ATOM 1017 C MET A 95 6.619 0.945 2.817 1.00 0.00 C ATOM 1018 O MET A 95 6.068 0.122 2.113 1.00 0.00 O ATOM 1019 CB MET A 95 8.364 2.044 1.416 1.00 0.00 C ATOM 1020 CG MET A 95 7.974 1.208 0.200 1.00 0.00 C ATOM 1021 SD MET A 95 6.628 2.029 -0.688 1.00 0.00 S ATOM 1022 CE MET A 95 7.610 2.637 -2.081 1.00 0.00 C ATOM 0 H MET A 95 8.307 -0.872 2.423 1.00 0.00 H new ATOM 0 HA MET A 95 8.441 1.812 3.551 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.787 2.968 1.436 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.415 2.326 1.356 1.00 0.00 H new ATOM 0 HG2 MET A 95 8.834 1.080 -0.458 1.00 0.00 H new ATOM 0 HG3 MET A 95 7.662 0.212 0.515 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.413 3.699 -2.229 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.669 2.491 -1.871 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.340 2.088 -2.983 1.00 0.00 H new ATOM 1032 N HIS A 96 5.965 1.625 3.710 1.00 0.00 N ATOM 1033 CA HIS A 96 4.510 1.409 3.888 1.00 0.00 C ATOM 1034 C HIS A 96 3.791 1.959 2.672 1.00 0.00 C ATOM 1035 O HIS A 96 4.330 2.753 1.927 1.00 0.00 O ATOM 1036 CB HIS A 96 4.024 2.149 5.131 1.00 0.00 C ATOM 1037 CG HIS A 96 4.119 1.240 6.313 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.338 1.710 7.595 1.00 0.00 N ATOM 1039 CD2 HIS A 96 4.032 -0.116 6.416 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.376 0.649 8.414 1.00 0.00 C ATOM 1041 NE2 HIS A 96 4.205 -0.498 7.746 1.00 0.00 N ATOM 0 H HIS A 96 6.379 2.324 4.327 1.00 0.00 H new ATOM 0 HA HIS A 96 4.307 0.344 4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.626 3.043 5.295 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.994 2.479 4.993 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.856 -0.792 5.593 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.526 0.712 9.482 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.202 -1.444 8.126 1.00 0.00 H new ATOM 1049 N LEU A 97 2.583 1.547 2.454 1.00 0.00 N ATOM 1050 CA LEU A 97 1.855 2.058 1.271 1.00 0.00 C ATOM 1051 C LEU A 97 0.386 2.284 1.603 1.00 0.00 C ATOM 1052 O LEU A 97 -0.292 1.419 2.119 1.00 0.00 O ATOM 1053 CB LEU A 97 1.959 1.049 0.143 1.00 0.00 C ATOM 1054 CG LEU A 97 1.430 1.688 -1.130 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.608 2.222 -1.945 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.659 0.639 -1.930 1.00 0.00 C ATOM 0 H LEU A 97 2.071 0.885 3.037 1.00 0.00 H new ATOM 0 HA LEU A 97 2.300 3.006 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.995 0.738 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.386 0.153 0.383 1.00 0.00 H new ATOM 0 HG LEU A 97 0.760 2.514 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.238 2.683 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.149 2.964 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.278 1.400 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.276 1.089 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.324 -0.187 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.173 0.266 -1.333 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.112 3.441 1.280 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.540 3.738 1.539 1.00 0.00 C ATOM 1070 C LYS A 98 -2.227 3.990 0.199 1.00 0.00 C ATOM 1071 O LYS A 98 -1.823 4.846 -0.558 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.663 4.980 2.425 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.964 4.905 3.226 1.00 0.00 C ATOM 1074 CD LYS A 98 -3.571 6.303 3.356 1.00 0.00 C ATOM 1075 CE LYS A 98 -3.076 6.955 4.648 1.00 0.00 C ATOM 1076 NZ LYS A 98 -4.187 7.729 5.270 1.00 0.00 N ATOM 0 H LYS A 98 0.415 4.198 0.844 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.009 2.898 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.810 5.044 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.652 5.881 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.669 4.237 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.770 4.489 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.292 6.914 2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.659 6.240 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.718 6.192 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.234 7.613 4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.228 7.520 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.021 8.746 5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.088 7.461 4.825 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.247 3.242 -0.117 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.929 3.445 -1.424 1.00 0.00 C ATOM 1092 C VAL A 99 -5.423 3.717 -1.173 1.00 0.00 C ATOM 1093 O VAL A 99 -5.921 3.497 -0.086 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.776 2.154 -2.262 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -4.987 1.967 -3.169 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.528 2.219 -3.143 1.00 0.00 C ATOM 0 H VAL A 99 -3.636 2.503 0.469 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.490 4.289 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.691 1.320 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.867 1.055 -3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.889 1.892 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.073 2.820 -3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.443 1.299 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.605 3.069 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.645 2.335 -2.515 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.155 4.154 -2.174 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.615 4.365 -1.968 1.00 0.00 C ATOM 1108 C PHE A 100 -8.377 3.712 -3.117 1.00 0.00 C ATOM 1109 O PHE A 100 -8.116 3.976 -4.277 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.964 5.853 -1.939 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.399 6.019 -1.502 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -9.874 5.335 -0.380 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -10.255 6.862 -2.224 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.205 5.491 0.024 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.585 7.019 -1.821 1.00 0.00 C ATOM 1116 CZ PHE A 100 -12.061 6.335 -0.695 1.00 0.00 C ATOM 0 H PHE A 100 -5.806 4.369 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.892 3.922 -1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.300 6.381 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.819 6.292 -2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.214 4.686 0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.888 7.390 -3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.572 4.961 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.245 7.668 -2.378 1.00 0.00 H new ATOM 0 HZ PHE A 100 -13.087 6.458 -0.382 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.330 2.880 -2.798 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.144 2.228 -3.857 1.00 0.00 C ATOM 1128 C LYS A 101 -11.561 2.771 -3.717 1.00 0.00 C ATOM 1129 O LYS A 101 -11.967 3.183 -2.649 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.146 0.706 -3.671 1.00 0.00 C ATOM 1131 CG LYS A 101 -10.873 0.038 -4.841 1.00 0.00 C ATOM 1132 CD LYS A 101 -11.979 -0.875 -4.302 1.00 0.00 C ATOM 1133 CE LYS A 101 -11.621 -2.337 -4.580 1.00 0.00 C ATOM 1134 NZ LYS A 101 -11.104 -2.469 -5.972 1.00 0.00 N ATOM 0 H LYS A 101 -9.580 2.624 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.735 2.439 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.122 0.337 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.635 0.446 -2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.300 0.796 -5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.168 -0.541 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.103 -0.718 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.930 -0.627 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.870 -2.680 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.499 -2.969 -4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.377 -3.395 -6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.506 -1.715 -6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.067 -2.389 -5.966 1.00 0.00 H new ATOM 1257 N LEU A 108 -6.977 2.550 -8.653 1.00 0.00 N ATOM 1258 CA LEU A 108 -6.825 3.005 -7.243 1.00 0.00 C ATOM 1259 C LEU A 108 -5.821 4.128 -7.189 1.00 0.00 C ATOM 1260 O LEU A 108 -5.402 4.670 -8.191 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.341 1.849 -6.373 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.531 0.977 -5.985 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.328 0.638 -7.239 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -7.016 -0.310 -5.336 1.00 0.00 C ATOM 0 HA LEU A 108 -7.789 3.353 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.602 1.257 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.850 2.233 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.171 1.507 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.181 0.015 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.683 1.558 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.691 0.099 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.861 -0.939 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.383 -0.846 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.437 -0.062 -4.446 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.473 4.512 -6.017 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.539 5.650 -5.877 1.00 0.00 C ATOM 1278 C VAL A 109 -3.481 5.376 -4.822 1.00 0.00 C ATOM 1279 O VAL A 109 -3.624 4.507 -3.989 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.365 6.815 -5.406 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.024 6.397 -4.117 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.482 8.041 -5.167 1.00 0.00 C ATOM 0 H VAL A 109 -5.790 4.093 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.035 5.832 -6.826 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.107 7.085 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.636 7.216 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.655 5.526 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.259 6.146 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.099 8.873 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.735 7.809 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.982 8.316 -6.096 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.440 6.158 -4.835 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.377 6.039 -3.846 1.00 0.00 C ATOM 1294 C LEU A 110 -1.640 7.139 -2.814 1.00 0.00 C ATOM 1295 O LEU A 110 -1.129 8.237 -2.908 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.070 6.275 -4.586 1.00 0.00 C ATOM 1297 CG LEU A 110 1.011 6.664 -3.614 1.00 0.00 C ATOM 1298 CD1 LEU A 110 1.095 5.611 -2.514 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.324 6.737 -4.375 1.00 0.00 C ATOM 0 H LEU A 110 -2.293 6.897 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.335 5.071 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.221 5.372 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.201 7.061 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 110 0.796 7.630 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.876 5.886 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.139 5.551 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.330 4.642 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.125 7.018 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.545 5.764 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.245 7.482 -5.167 1.00 0.00 H new ATOM 1311 N THR A 111 -2.496 6.872 -1.869 1.00 0.00 N ATOM 1312 CA THR A 111 -2.859 7.918 -0.868 1.00 0.00 C ATOM 1313 C THR A 111 -1.672 8.251 0.040 1.00 0.00 C ATOM 1314 O THR A 111 -1.655 9.279 0.687 1.00 0.00 O ATOM 1315 CB THR A 111 -4.028 7.411 -0.024 1.00 0.00 C ATOM 1316 OG1 THR A 111 -3.901 6.008 0.163 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.342 7.714 -0.749 1.00 0.00 C ATOM 0 H THR A 111 -2.962 5.973 -1.744 1.00 0.00 H new ATOM 0 HA THR A 111 -3.142 8.828 -1.398 1.00 0.00 H new ATOM 0 HB THR A 111 -4.024 7.908 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.649 5.681 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.179 7.354 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.437 8.790 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.347 7.214 -1.718 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.676 7.415 0.091 1.00 0.00 N ATOM 1326 CA GLY A 112 0.495 7.734 0.961 1.00 0.00 C ATOM 1327 C GLY A 112 1.499 6.585 0.942 1.00 0.00 C ATOM 1328 O GLY A 112 1.454 5.727 0.087 1.00 0.00 O ATOM 0 H GLY A 112 -0.618 6.536 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.974 8.650 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.159 7.915 1.982 1.00 0.00 H new ATOM 1332 N TYR A 113 2.416 6.577 1.877 1.00 0.00 N ATOM 1333 CA TYR A 113 3.438 5.507 1.922 1.00 0.00 C ATOM 1334 C TYR A 113 4.563 5.928 2.873 1.00 0.00 C ATOM 1335 O TYR A 113 5.028 7.049 2.832 1.00 0.00 O ATOM 1336 CB TYR A 113 4.035 5.341 0.535 1.00 0.00 C ATOM 1337 CG TYR A 113 4.462 6.698 0.029 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.717 7.209 0.378 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.597 7.456 -0.770 1.00 0.00 C ATOM 1340 CE1 TYR A 113 6.109 8.471 -0.073 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.988 8.720 -1.219 1.00 0.00 C ATOM 1342 CZ TYR A 113 5.243 9.230 -0.871 1.00 0.00 C ATOM 1343 OH TYR A 113 5.627 10.480 -1.315 1.00 0.00 O ATOM 0 H TYR A 113 2.494 7.277 2.615 1.00 0.00 H new ATOM 0 HA TYR A 113 2.981 4.577 2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.889 4.664 0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.304 4.898 -0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.383 6.627 0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.628 7.063 -1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.080 8.862 0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.320 9.304 -1.835 1.00 0.00 H new ATOM 0 HH TYR A 113 5.188 10.673 -2.170 1.00 0.00 H new ATOM 1353 N GLN A 114 5.039 5.037 3.697 1.00 0.00 N ATOM 1354 CA GLN A 114 6.173 5.404 4.593 1.00 0.00 C ATOM 1355 C GLN A 114 7.436 4.870 3.937 1.00 0.00 C ATOM 1356 O GLN A 114 7.778 3.722 4.086 1.00 0.00 O ATOM 1357 CB GLN A 114 6.031 4.758 5.977 1.00 0.00 C ATOM 1358 CG GLN A 114 4.629 4.991 6.533 1.00 0.00 C ATOM 1359 CD GLN A 114 4.461 6.471 6.881 1.00 0.00 C ATOM 1360 OE1 GLN A 114 4.814 7.334 6.102 1.00 0.00 O ATOM 1361 NE2 GLN A 114 3.930 6.800 8.026 1.00 0.00 N ATOM 0 H GLN A 114 4.697 4.080 3.790 1.00 0.00 H new ATOM 0 HA GLN A 114 6.197 6.485 4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.228 3.688 5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.773 5.175 6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.880 4.691 5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.471 4.377 7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.634 6.074 8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.810 7.783 8.269 1.00 0.00 H new ATOM 1370 N VAL A 115 8.126 5.657 3.180 1.00 0.00 N ATOM 1371 CA VAL A 115 9.316 5.107 2.522 1.00 0.00 C ATOM 1372 C VAL A 115 10.384 4.780 3.554 1.00 0.00 C ATOM 1373 O VAL A 115 10.405 5.305 4.649 1.00 0.00 O ATOM 1374 CB VAL A 115 9.839 6.101 1.501 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.787 7.088 2.167 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.575 5.340 0.411 1.00 0.00 C ATOM 0 H VAL A 115 7.921 6.638 2.993 1.00 0.00 H new ATOM 0 HA VAL A 115 9.049 4.184 2.007 1.00 0.00 H new ATOM 0 HB VAL A 115 9.005 6.656 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.156 7.796 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.257 7.628 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.628 6.548 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.956 6.043 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.407 4.789 0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 115 9.891 4.641 -0.070 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.269 3.911 3.191 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.363 3.515 4.116 1.00 0.00 C ATOM 1388 C ASP A 115A 11.793 3.044 5.463 1.00 0.00 C ATOM 1389 O ASP A 115A 12.501 2.981 6.450 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.286 4.715 4.337 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.697 4.223 4.663 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.812 3.166 5.261 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.640 4.912 4.309 1.00 0.00 O ATOM 0 H ASP A 115A 11.286 3.449 2.282 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.921 2.690 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.305 5.341 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 12.908 5.332 5.152 1.00 0.00 H new ATOM 1398 N LYS A 116 10.531 2.692 5.521 1.00 0.00 N ATOM 1399 CA LYS A 116 9.958 2.211 6.808 1.00 0.00 C ATOM 1400 C LYS A 116 10.202 0.704 6.911 1.00 0.00 C ATOM 1401 O LYS A 116 9.720 -0.066 6.108 1.00 0.00 O ATOM 1402 CB LYS A 116 8.451 2.511 6.852 1.00 0.00 C ATOM 1403 CG LYS A 116 8.134 3.345 8.089 1.00 0.00 C ATOM 1404 CD LYS A 116 8.925 4.657 8.051 1.00 0.00 C ATOM 1405 CE LYS A 116 9.001 5.245 9.460 1.00 0.00 C ATOM 1406 NZ LYS A 116 7.747 5.995 9.754 1.00 0.00 N ATOM 0 H LYS A 116 9.880 2.718 4.736 1.00 0.00 H new ATOM 0 HA LYS A 116 10.434 2.720 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.150 3.047 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.885 1.580 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.065 3.556 8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.385 2.785 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.929 4.478 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 116 8.445 5.365 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 116 9.141 4.449 10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.862 5.908 9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.798 6.395 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.632 6.764 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.934 5.350 9.691 1.00 0.00 H new ATOM 1420 N ASN A 117 10.973 0.284 7.877 1.00 0.00 N ATOM 1421 CA ASN A 117 11.277 -1.171 8.020 1.00 0.00 C ATOM 1422 C ASN A 117 10.045 -1.931 8.515 1.00 0.00 C ATOM 1423 O ASN A 117 9.006 -1.357 8.771 1.00 0.00 O ATOM 1424 CB ASN A 117 12.421 -1.352 9.020 1.00 0.00 C ATOM 1425 CG ASN A 117 13.387 -0.171 8.912 1.00 0.00 C ATOM 1426 OD1 ASN A 117 13.329 0.751 9.703 1.00 0.00 O ATOM 1427 ND2 ASN A 117 14.276 -0.156 7.957 1.00 0.00 N ATOM 0 H ASN A 117 11.407 0.887 8.576 1.00 0.00 H new ATOM 0 HA ASN A 117 11.566 -1.568 7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.025 -1.420 10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.948 -2.285 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.922 0.629 7.874 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.325 -0.929 7.294 1.00 0.00 H new ATOM 1434 N LYS A 118 10.162 -3.226 8.644 1.00 0.00 N ATOM 1435 CA LYS A 118 9.012 -4.051 9.114 1.00 0.00 C ATOM 1436 C LYS A 118 8.652 -3.678 10.552 1.00 0.00 C ATOM 1437 O LYS A 118 7.537 -3.873 10.993 1.00 0.00 O ATOM 1438 CB LYS A 118 9.397 -5.528 9.061 1.00 0.00 C ATOM 1439 CG LYS A 118 8.192 -6.356 8.616 1.00 0.00 C ATOM 1440 CD LYS A 118 8.086 -7.609 9.488 1.00 0.00 C ATOM 1441 CE LYS A 118 7.568 -8.775 8.646 1.00 0.00 C ATOM 1442 NZ LYS A 118 6.172 -9.101 9.052 1.00 0.00 N ATOM 0 H LYS A 118 11.013 -3.751 8.442 1.00 0.00 H new ATOM 0 HA LYS A 118 8.153 -3.866 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 118 10.226 -5.673 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 118 9.738 -5.861 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.280 -5.764 8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.297 -6.637 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.061 -7.855 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 118 7.414 -7.426 10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.599 -8.515 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.209 -9.646 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.820 -9.894 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.156 -9.366 10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.564 -8.270 8.903 1.00 0.00 H new ATOM 1456 N ASP A 119 9.585 -3.145 11.289 1.00 0.00 N ATOM 1457 CA ASP A 119 9.288 -2.764 12.697 1.00 0.00 C ATOM 1458 C ASP A 119 8.242 -1.647 12.717 1.00 0.00 C ATOM 1459 O ASP A 119 7.737 -1.278 13.758 1.00 0.00 O ATOM 1460 CB ASP A 119 10.571 -2.270 13.370 1.00 0.00 C ATOM 1461 CG ASP A 119 10.258 -1.810 14.794 1.00 0.00 C ATOM 1462 OD1 ASP A 119 9.264 -2.265 15.338 1.00 0.00 O ATOM 1463 OD2 ASP A 119 11.017 -1.012 15.318 1.00 0.00 O ATOM 0 H ASP A 119 10.538 -2.957 10.978 1.00 0.00 H new ATOM 0 HA ASP A 119 8.903 -3.631 13.234 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.314 -3.067 13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.001 -1.448 12.798 1.00 0.00 H new ATOM 1468 N ASP A 120 7.921 -1.098 11.577 1.00 0.00 N ATOM 1469 CA ASP A 120 6.919 0.000 11.541 1.00 0.00 C ATOM 1470 C ASP A 120 5.536 -0.559 11.233 1.00 0.00 C ATOM 1471 O ASP A 120 5.284 -1.062 10.156 1.00 0.00 O ATOM 1472 CB ASP A 120 7.290 1.000 10.447 1.00 0.00 C ATOM 1473 CG ASP A 120 7.070 2.427 10.958 1.00 0.00 C ATOM 1474 OD1 ASP A 120 5.933 2.870 10.951 1.00 0.00 O ATOM 1475 OD2 ASP A 120 8.042 3.051 11.347 1.00 0.00 O ATOM 0 H ASP A 120 8.309 -1.363 10.672 1.00 0.00 H new ATOM 0 HA ASP A 120 6.910 0.491 12.514 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.331 0.864 10.154 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.684 0.824 9.559 1.00 0.00 H new ATOM 1480 N GLU A 121 4.628 -0.436 12.153 1.00 0.00 N ATOM 1481 CA GLU A 121 3.250 -0.911 11.887 1.00 0.00 C ATOM 1482 C GLU A 121 2.516 0.244 11.214 1.00 0.00 C ATOM 1483 O GLU A 121 2.701 1.386 11.579 1.00 0.00 O ATOM 1484 CB GLU A 121 2.560 -1.279 13.202 1.00 0.00 C ATOM 1485 CG GLU A 121 1.586 -2.432 12.958 1.00 0.00 C ATOM 1486 CD GLU A 121 1.200 -3.072 14.293 1.00 0.00 C ATOM 1487 OE1 GLU A 121 0.545 -2.407 15.079 1.00 0.00 O ATOM 1488 OE2 GLU A 121 1.565 -4.216 14.507 1.00 0.00 O ATOM 0 H GLU A 121 4.780 -0.028 13.075 1.00 0.00 H new ATOM 0 HA GLU A 121 3.252 -1.798 11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.302 -1.566 13.947 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.027 -0.416 13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.695 -2.066 12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.044 -3.176 12.306 1.00 0.00 H new ATOM 1495 N LEU A 122 1.716 -0.016 10.225 1.00 0.00 N ATOM 1496 CA LEU A 122 1.021 1.114 9.550 1.00 0.00 C ATOM 1497 C LEU A 122 0.106 1.804 10.544 1.00 0.00 C ATOM 1498 O LEU A 122 0.121 3.009 10.674 1.00 0.00 O ATOM 1499 CB LEU A 122 0.249 0.587 8.349 1.00 0.00 C ATOM 1500 CG LEU A 122 1.258 -0.154 7.491 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.120 -1.645 7.704 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.071 0.158 6.017 1.00 0.00 C ATOM 0 H LEU A 122 1.513 -0.945 9.857 1.00 0.00 H new ATOM 0 HA LEU A 122 1.745 1.846 9.191 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.556 -0.077 8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.210 1.404 7.792 1.00 0.00 H new ATOM 0 HG LEU A 122 2.253 0.176 7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.847 -2.170 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.299 -1.881 8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.114 -1.960 7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.810 -0.390 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.070 -0.140 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.199 1.228 5.853 1.00 0.00 H new ATOM 1514 N THR A 123 -0.668 1.073 11.285 1.00 0.00 N ATOM 1515 CA THR A 123 -1.534 1.756 12.275 1.00 0.00 C ATOM 1516 C THR A 123 -2.356 2.796 11.519 1.00 0.00 C ATOM 1517 O THR A 123 -2.530 2.688 10.326 1.00 0.00 O ATOM 1518 CB THR A 123 -0.644 2.447 13.339 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.672 3.856 13.157 1.00 0.00 O ATOM 1520 CG2 THR A 123 0.809 1.979 13.208 1.00 0.00 C ATOM 0 H THR A 123 -0.740 0.056 11.252 1.00 0.00 H new ATOM 0 HA THR A 123 -2.192 1.049 12.781 1.00 0.00 H new ATOM 0 HB THR A 123 -1.032 2.184 14.323 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.273 4.082 12.291 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.420 2.474 13.963 1.00 0.00 H new ATOM 0 HG22 THR A 123 0.858 0.900 13.352 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.184 2.230 12.216 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.844 3.800 12.192 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.637 4.867 11.500 1.00 0.00 C ATOM 1530 C GLY A 124 -2.666 5.813 10.774 1.00 0.00 C ATOM 1531 O GLY A 124 -2.515 6.967 11.122 1.00 0.00 O ATOM 0 H GLY A 124 -2.730 3.932 13.197 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.331 4.420 10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.235 5.422 12.223 1.00 0.00 H new ATOM 1535 N PHE A 125 -1.998 5.305 9.777 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.006 6.095 8.999 1.00 0.00 C ATOM 1537 C PHE A 125 -1.623 6.543 7.666 1.00 0.00 C ATOM 1538 O PHE A 125 -0.904 7.096 6.853 1.00 0.00 O ATOM 1539 CB PHE A 125 0.217 5.176 8.817 1.00 0.00 C ATOM 1540 CG PHE A 125 0.775 5.183 7.415 1.00 0.00 C ATOM 1541 CD1 PHE A 125 1.474 6.285 6.915 1.00 0.00 C ATOM 1542 CD2 PHE A 125 0.615 4.036 6.626 1.00 0.00 C ATOM 1543 CE1 PHE A 125 2.003 6.239 5.620 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.147 3.989 5.338 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.839 5.092 4.834 1.00 0.00 C ATOM 1546 OXT PHE A 125 -2.812 6.347 7.497 1.00 0.00 O ATOM 0 H PHE A 125 -2.104 4.341 9.460 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.705 7.011 9.507 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.999 5.484 9.512 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.062 4.156 9.083 1.00 0.00 H new ATOM 0 HD1 PHE A 125 1.605 7.167 7.524 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.077 3.185 7.017 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.539 7.090 5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.024 3.103 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.249 5.060 3.835 1.00 0.00 H new