USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 72 GLN : amide:sc= -1.24 K(o=-2.5,f=1.6) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= -1.3 USER MOD Set 2.1: A 23 ASN : amide:sc= -9.82! C(o=-12!,f=-21!) USER MOD Set 2.2: A 24 GLN : amide:sc= -2.24 K(o=-12,f=-18!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -0.193 (180deg=-0.826) USER MOD Single : A 19 SER OG : rot -56:sc= 1.04 USER MOD Single : A 25 GLN : amide:sc= -7.71! C(o=-7.7!,f=-9.2!) USER MOD Single : A 28 ASN : amide:sc= 0.16 K(o=0.16,f=-6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -126:sc= -0.157 (180deg=-2!) USER MOD Single : A 39 THR OG1 : rot 106:sc= 1.17 USER MOD Single : A 45 MET CE :methyl -122:sc= 0 (180deg=-0.0904) USER MOD Single : A 46 ASN : amide:sc= 0.97 K(o=0.97,f=-0.3) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -22:sc= -2.87! USER MOD Single : A 54 GLN : amide:sc=-0.00135 X(o=-0.0014,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.9 K(o=-0.9,f=-1.9!) USER MOD Single : A 61 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.028) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.8) USER MOD Single : A 75 ASN : amide:sc= -0.0187 K(o=-0.019,f=-0.9) USER MOD Single : A 79 ASN : amide:sc= 0.477 X(o=0.48,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 30:sc= -1.72! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -32:sc= 0.683 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -7.021 19.880 -5.321 1.00 0.00 N ATOM 64 CA ALA A 6 -5.692 19.836 -4.724 1.00 0.00 C ATOM 65 C ALA A 6 -5.515 18.556 -3.919 1.00 0.00 C ATOM 66 O ALA A 6 -4.506 17.862 -4.046 1.00 0.00 O ATOM 67 CB ALA A 6 -5.461 21.058 -3.847 1.00 0.00 C ATOM 0 HA ALA A 6 -4.952 19.845 -5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.464 21.009 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.548 21.961 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.206 21.081 -3.051 1.00 0.00 H new ATOM 73 N ASN A 7 -6.514 18.242 -3.102 1.00 0.00 N ATOM 74 CA ASN A 7 -6.478 17.036 -2.288 1.00 0.00 C ATOM 75 C ASN A 7 -6.411 15.805 -3.182 1.00 0.00 C ATOM 76 O ASN A 7 -5.526 14.961 -3.029 1.00 0.00 O ATOM 77 CB ASN A 7 -7.710 16.966 -1.382 1.00 0.00 C ATOM 78 CG ASN A 7 -7.405 17.393 0.040 1.00 0.00 C ATOM 79 OD1 ASN A 7 -6.600 16.767 0.730 1.00 0.00 O ATOM 80 ND2 ASN A 7 -8.049 18.465 0.487 1.00 0.00 N ATOM 0 H ASN A 7 -7.356 18.805 -2.987 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.588 17.065 -1.660 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.494 17.603 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -8.097 15.947 -1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.885 18.800 1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.708 18.954 -0.119 1.00 0.00 H new ATOM 87 N LYS A 8 -7.350 15.708 -4.119 1.00 0.00 N ATOM 88 CA LYS A 8 -7.400 14.581 -5.042 1.00 0.00 C ATOM 89 C LYS A 8 -6.087 14.434 -5.803 1.00 0.00 C ATOM 90 O LYS A 8 -5.718 13.333 -6.211 1.00 0.00 O ATOM 91 CB LYS A 8 -8.557 14.754 -6.027 1.00 0.00 C ATOM 92 CG LYS A 8 -9.907 14.360 -5.452 1.00 0.00 C ATOM 93 CD LYS A 8 -10.094 12.849 -5.453 1.00 0.00 C ATOM 94 CE LYS A 8 -11.022 12.400 -6.571 1.00 0.00 C ATOM 95 NZ LYS A 8 -12.202 11.659 -6.049 1.00 0.00 N ATOM 0 H LYS A 8 -8.088 16.399 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.559 13.675 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.598 15.795 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.360 14.154 -6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.994 14.738 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.702 14.826 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.125 12.362 -5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.500 12.532 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.360 13.270 -7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.473 11.765 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.809 11.370 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.881 10.815 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.741 12.273 -5.406 1.00 0.00 H new ATOM 109 N ASP A 9 -5.378 15.541 -5.998 1.00 0.00 N ATOM 110 CA ASP A 9 -4.110 15.497 -6.714 1.00 0.00 C ATOM 111 C ASP A 9 -3.035 14.862 -5.845 1.00 0.00 C ATOM 112 O ASP A 9 -2.285 14.000 -6.305 1.00 0.00 O ATOM 113 CB ASP A 9 -3.685 16.903 -7.143 1.00 0.00 C ATOM 114 CG ASP A 9 -4.039 17.198 -8.588 1.00 0.00 C ATOM 115 OD1 ASP A 9 -5.240 17.146 -8.926 1.00 0.00 O ATOM 116 OD2 ASP A 9 -3.116 17.479 -9.380 1.00 0.00 O ATOM 0 H ASP A 9 -5.656 16.468 -5.675 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.240 14.889 -7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -4.165 17.638 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.609 17.012 -7.006 1.00 0.00 H new ATOM 121 N LEU A 10 -2.967 15.280 -4.586 1.00 0.00 N ATOM 122 CA LEU A 10 -1.986 14.735 -3.658 1.00 0.00 C ATOM 123 C LEU A 10 -2.203 13.233 -3.495 1.00 0.00 C ATOM 124 O LEU A 10 -1.260 12.435 -3.587 1.00 0.00 O ATOM 125 CB LEU A 10 -2.100 15.444 -2.307 1.00 0.00 C ATOM 126 CG LEU A 10 -1.007 15.102 -1.294 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.011 16.228 -1.197 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.616 14.821 0.072 1.00 0.00 C ATOM 0 H LEU A 10 -3.578 15.992 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.984 14.900 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.089 16.520 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.068 15.201 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.493 14.204 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.779 15.963 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.473 16.386 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.488 17.143 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.824 14.579 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.156 15.702 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.305 13.980 -0.003 1.00 0.00 H new ATOM 140 N ILE A 11 -3.458 12.845 -3.277 1.00 0.00 N ATOM 141 CA ILE A 11 -3.788 11.438 -3.130 1.00 0.00 C ATOM 142 C ILE A 11 -3.329 10.675 -4.370 1.00 0.00 C ATOM 143 O ILE A 11 -2.599 9.690 -4.263 1.00 0.00 O ATOM 144 CB ILE A 11 -5.303 11.218 -2.854 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.499 10.028 -1.917 1.00 0.00 C ATOM 146 CG2 ILE A 11 -6.105 11.018 -4.134 1.00 0.00 C ATOM 147 CD1 ILE A 11 -4.888 8.744 -2.435 1.00 0.00 C ATOM 0 H ILE A 11 -4.252 13.481 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.260 11.051 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.679 12.124 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.061 10.264 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.566 9.874 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.156 10.869 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.004 11.899 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.730 10.143 -4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.066 7.942 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.343 8.484 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.815 8.880 -2.569 1.00 0.00 H new ATOM 159 N SER A 12 -3.745 11.140 -5.551 1.00 0.00 N ATOM 160 CA SER A 12 -3.350 10.498 -6.796 1.00 0.00 C ATOM 161 C SER A 12 -1.832 10.365 -6.861 1.00 0.00 C ATOM 162 O SER A 12 -1.308 9.401 -7.411 1.00 0.00 O ATOM 163 CB SER A 12 -3.864 11.299 -7.994 1.00 0.00 C ATOM 164 OG SER A 12 -4.855 10.576 -8.704 1.00 0.00 O ATOM 0 H SER A 12 -4.351 11.953 -5.666 1.00 0.00 H new ATOM 0 HA SER A 12 -3.791 9.502 -6.830 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.277 12.247 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.034 11.535 -8.660 1.00 0.00 H new ATOM 0 HG SER A 12 -5.168 11.110 -9.464 1.00 0.00 H new ATOM 170 N ALA A 13 -1.136 11.341 -6.286 1.00 0.00 N ATOM 171 CA ALA A 13 0.322 11.324 -6.270 1.00 0.00 C ATOM 172 C ALA A 13 0.827 10.089 -5.542 1.00 0.00 C ATOM 173 O ALA A 13 1.681 9.362 -6.049 1.00 0.00 O ATOM 174 CB ALA A 13 0.870 12.591 -5.628 1.00 0.00 C ATOM 0 H ALA A 13 -1.556 12.150 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 13 0.678 11.288 -7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.959 12.556 -5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.535 13.460 -6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.508 12.665 -4.602 1.00 0.00 H new ATOM 180 N GLY A 14 0.258 9.831 -4.373 1.00 0.00 N ATOM 181 CA GLY A 14 0.633 8.643 -3.620 1.00 0.00 C ATOM 182 C GLY A 14 0.238 7.388 -4.373 1.00 0.00 C ATOM 183 O GLY A 14 0.866 6.337 -4.246 1.00 0.00 O ATOM 0 H GLY A 14 -0.452 10.416 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.708 8.643 -3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.148 8.656 -2.644 1.00 0.00 H new ATOM 187 N LEU A 15 -0.809 7.531 -5.177 1.00 0.00 N ATOM 188 CA LEU A 15 -1.310 6.435 -5.990 1.00 0.00 C ATOM 189 C LEU A 15 -0.303 6.096 -7.078 1.00 0.00 C ATOM 190 O LEU A 15 0.215 4.982 -7.132 1.00 0.00 O ATOM 191 CB LEU A 15 -2.669 6.787 -6.599 1.00 0.00 C ATOM 192 CG LEU A 15 -3.881 6.252 -5.831 1.00 0.00 C ATOM 193 CD1 LEU A 15 -3.772 6.590 -4.351 1.00 0.00 C ATOM 194 CD2 LEU A 15 -5.170 6.812 -6.412 1.00 0.00 C ATOM 0 H LEU A 15 -1.329 8.402 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.446 5.561 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.750 7.872 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.704 6.401 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.899 5.167 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.643 6.201 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.868 6.140 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.726 7.672 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.021 6.421 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.159 7.900 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.256 6.517 -7.458 1.00 0.00 H new ATOM 206 N LYS A 16 -0.019 7.068 -7.935 1.00 0.00 N ATOM 207 CA LYS A 16 0.942 6.874 -9.013 1.00 0.00 C ATOM 208 C LYS A 16 2.280 6.433 -8.442 1.00 0.00 C ATOM 209 O LYS A 16 2.919 5.523 -8.966 1.00 0.00 O ATOM 210 CB LYS A 16 1.103 8.161 -9.821 1.00 0.00 C ATOM 211 CG LYS A 16 -0.189 8.625 -10.472 1.00 0.00 C ATOM 212 CD LYS A 16 0.051 9.774 -11.435 1.00 0.00 C ATOM 213 CE LYS A 16 -1.180 10.055 -12.283 1.00 0.00 C ATOM 214 NZ LYS A 16 -1.669 8.832 -12.976 1.00 0.00 N ATOM 0 H LYS A 16 -0.439 7.997 -7.905 1.00 0.00 H new ATOM 0 HA LYS A 16 0.571 6.095 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.476 8.949 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.856 8.005 -10.594 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.648 7.792 -11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.894 8.937 -9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.321 10.669 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.895 9.537 -12.083 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.973 10.455 -11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.944 10.821 -13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.254 9.105 -13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.857 8.271 -13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.238 8.263 -12.317 1.00 0.00 H new ATOM 228 N GLU A 17 2.686 7.065 -7.349 1.00 0.00 N ATOM 229 CA GLU A 17 3.939 6.717 -6.697 1.00 0.00 C ATOM 230 C GLU A 17 3.908 5.263 -6.250 1.00 0.00 C ATOM 231 O GLU A 17 4.825 4.494 -6.536 1.00 0.00 O ATOM 232 CB GLU A 17 4.192 7.633 -5.498 1.00 0.00 C ATOM 233 CG GLU A 17 4.737 8.999 -5.884 1.00 0.00 C ATOM 234 CD GLU A 17 5.620 9.600 -4.809 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.085 10.300 -3.923 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.847 9.372 -4.852 1.00 0.00 O ATOM 0 H GLU A 17 2.167 7.818 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 17 4.752 6.851 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.260 7.764 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.896 7.147 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.307 8.910 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.905 9.674 -6.085 1.00 0.00 H new ATOM 243 N PHE A 18 2.842 4.889 -5.552 1.00 0.00 N ATOM 244 CA PHE A 18 2.695 3.520 -5.073 1.00 0.00 C ATOM 245 C PHE A 18 2.717 2.544 -6.245 1.00 0.00 C ATOM 246 O PHE A 18 3.399 1.520 -6.200 1.00 0.00 O ATOM 247 CB PHE A 18 1.398 3.356 -4.275 1.00 0.00 C ATOM 248 CG PHE A 18 1.348 2.105 -3.432 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.413 1.212 -3.406 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.229 1.824 -2.662 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.360 0.069 -2.631 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.172 0.681 -1.886 1.00 0.00 C ATOM 253 CZ PHE A 18 1.238 -0.197 -1.870 1.00 0.00 C ATOM 0 H PHE A 18 2.071 5.510 -5.306 1.00 0.00 H new ATOM 0 HA PHE A 18 3.534 3.300 -4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.270 4.223 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.556 3.349 -4.967 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.293 1.414 -3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.608 2.506 -2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.195 -0.616 -2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.706 0.475 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.195 -1.090 -1.264 1.00 0.00 H new ATOM 263 N SER A 19 1.977 2.874 -7.300 1.00 0.00 N ATOM 264 CA SER A 19 1.923 2.031 -8.488 1.00 0.00 C ATOM 265 C SER A 19 3.318 1.860 -9.078 1.00 0.00 C ATOM 266 O SER A 19 3.718 0.754 -9.442 1.00 0.00 O ATOM 267 CB SER A 19 0.980 2.636 -9.530 1.00 0.00 C ATOM 268 OG SER A 19 1.639 3.623 -10.305 1.00 0.00 O ATOM 0 H SER A 19 1.408 3.718 -7.355 1.00 0.00 H new ATOM 0 HA SER A 19 1.541 1.051 -8.200 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.602 1.849 -10.183 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.117 3.078 -9.031 1.00 0.00 H new ATOM 0 HG SER A 19 2.019 4.304 -9.712 1.00 0.00 H new ATOM 274 N VAL A 20 4.058 2.962 -9.157 1.00 0.00 N ATOM 275 CA VAL A 20 5.414 2.932 -9.689 1.00 0.00 C ATOM 276 C VAL A 20 6.312 2.086 -8.799 1.00 0.00 C ATOM 277 O VAL A 20 7.233 1.428 -9.276 1.00 0.00 O ATOM 278 CB VAL A 20 6.000 4.350 -9.827 1.00 0.00 C ATOM 279 CG1 VAL A 20 7.352 4.304 -10.524 1.00 0.00 C ATOM 280 CG2 VAL A 20 5.031 5.256 -10.577 1.00 0.00 C ATOM 0 H VAL A 20 3.741 3.885 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 20 5.368 2.487 -10.683 1.00 0.00 H new ATOM 0 HB VAL A 20 6.148 4.763 -8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.750 5.315 -10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.041 3.692 -9.942 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.234 3.872 -11.518 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.460 6.254 -10.666 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.849 4.850 -11.572 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.090 5.313 -10.031 1.00 0.00 H new ATOM 290 N LEU A 21 6.020 2.077 -7.506 1.00 0.00 N ATOM 291 CA LEU A 21 6.787 1.269 -6.573 1.00 0.00 C ATOM 292 C LEU A 21 6.477 -0.198 -6.833 1.00 0.00 C ATOM 293 O LEU A 21 7.353 -1.061 -6.763 1.00 0.00 O ATOM 294 CB LEU A 21 6.442 1.639 -5.130 1.00 0.00 C ATOM 295 CG LEU A 21 7.454 1.176 -4.081 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.867 1.567 -4.486 1.00 0.00 C ATOM 297 CD2 LEU A 21 7.109 1.759 -2.719 1.00 0.00 C ATOM 0 H LEU A 21 5.264 2.616 -7.083 1.00 0.00 H new ATOM 0 HA LEU A 21 7.851 1.454 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.343 2.722 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.469 1.214 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 21 7.407 0.089 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.570 1.228 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.113 1.103 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.931 2.651 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.838 1.420 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.127 2.847 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.114 1.427 -2.423 1.00 0.00 H new ATOM 309 N LEU A 22 5.212 -0.457 -7.153 1.00 0.00 N ATOM 310 CA LEU A 22 4.759 -1.806 -7.449 1.00 0.00 C ATOM 311 C LEU A 22 5.396 -2.306 -8.748 1.00 0.00 C ATOM 312 O LEU A 22 5.704 -3.487 -8.876 1.00 0.00 O ATOM 313 CB LEU A 22 3.232 -1.857 -7.543 1.00 0.00 C ATOM 314 CG LEU A 22 2.494 -1.578 -6.229 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.013 -1.881 -6.372 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.097 -2.393 -5.093 1.00 0.00 C ATOM 0 H LEU A 22 4.483 0.254 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 22 5.070 -2.461 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.904 -1.132 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.938 -2.842 -7.906 1.00 0.00 H new ATOM 0 HG LEU A 22 2.607 -0.520 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.507 -1.677 -5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.587 -1.254 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.880 -2.930 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.560 -2.181 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.016 -3.455 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.147 -2.127 -4.972 1.00 0.00 H new ATOM 328 N ASN A 23 5.619 -1.398 -9.708 1.00 0.00 N ATOM 329 CA ASN A 23 6.250 -1.788 -10.971 1.00 0.00 C ATOM 330 C ASN A 23 7.608 -2.429 -10.685 1.00 0.00 C ATOM 331 O ASN A 23 8.091 -3.269 -11.443 1.00 0.00 O ATOM 332 CB ASN A 23 6.382 -0.590 -11.929 1.00 0.00 C ATOM 333 CG ASN A 23 7.566 0.316 -11.630 1.00 0.00 C ATOM 334 OD1 ASN A 23 8.634 -0.138 -11.220 1.00 0.00 O ATOM 335 ND2 ASN A 23 7.381 1.613 -11.847 1.00 0.00 N ATOM 0 H ASN A 23 5.377 -0.410 -9.636 1.00 0.00 H new ATOM 0 HA ASN A 23 5.614 -2.519 -11.471 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.472 -0.963 -12.949 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.466 -0.000 -11.884 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.140 2.272 -11.673 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.480 1.950 -12.187 1.00 0.00 H new ATOM 342 N GLN A 24 8.186 -2.044 -9.548 1.00 0.00 N ATOM 343 CA GLN A 24 9.463 -2.585 -9.079 1.00 0.00 C ATOM 344 C GLN A 24 9.259 -4.002 -8.526 1.00 0.00 C ATOM 345 O GLN A 24 10.026 -4.476 -7.687 1.00 0.00 O ATOM 346 CB GLN A 24 10.061 -1.677 -8.002 1.00 0.00 C ATOM 347 CG GLN A 24 10.114 -0.213 -8.404 1.00 0.00 C ATOM 348 CD GLN A 24 11.038 0.036 -9.582 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.016 -0.699 -10.569 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.856 1.077 -9.483 1.00 0.00 N ATOM 0 H GLN A 24 7.781 -1.346 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 24 10.157 -2.630 -9.919 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.473 -1.774 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.070 -2.018 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.110 0.127 -8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.447 0.382 -7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.841 1.660 -8.646 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.500 1.294 -10.244 1.00 0.00 H new ATOM 359 N GLN A 25 8.207 -4.654 -9.010 1.00 0.00 N ATOM 360 CA GLN A 25 7.874 -6.003 -8.578 1.00 0.00 C ATOM 361 C GLN A 25 8.300 -7.055 -9.591 1.00 0.00 C ATOM 362 O GLN A 25 7.658 -7.251 -10.623 1.00 0.00 O ATOM 363 CB GLN A 25 6.377 -6.126 -8.278 1.00 0.00 C ATOM 364 CG GLN A 25 5.953 -5.536 -6.933 1.00 0.00 C ATOM 365 CD GLN A 25 7.122 -5.244 -6.006 1.00 0.00 C ATOM 366 OE1 GLN A 25 7.861 -6.150 -5.616 1.00 0.00 O ATOM 367 NE2 GLN A 25 7.294 -3.979 -5.645 1.00 0.00 N ATOM 0 H GLN A 25 7.569 -4.266 -9.705 1.00 0.00 H new ATOM 0 HA GLN A 25 8.434 -6.189 -7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.818 -5.630 -9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.099 -7.180 -8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.398 -4.614 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.272 -6.229 -6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.659 -3.259 -5.991 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.061 -3.726 -5.022 1.00 0.00 H new ATOM 376 N VAL A 26 9.380 -7.749 -9.253 1.00 0.00 N ATOM 377 CA VAL A 26 9.915 -8.819 -10.080 1.00 0.00 C ATOM 378 C VAL A 26 10.015 -10.081 -9.236 1.00 0.00 C ATOM 379 O VAL A 26 10.664 -10.084 -8.191 1.00 0.00 O ATOM 380 CB VAL A 26 11.303 -8.466 -10.651 1.00 0.00 C ATOM 381 CG1 VAL A 26 12.299 -8.211 -9.529 1.00 0.00 C ATOM 382 CG2 VAL A 26 11.799 -9.571 -11.572 1.00 0.00 C ATOM 0 H VAL A 26 9.909 -7.584 -8.396 1.00 0.00 H new ATOM 0 HA VAL A 26 9.244 -8.971 -10.925 1.00 0.00 H new ATOM 0 HB VAL A 26 11.210 -7.550 -11.235 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.271 -7.964 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.950 -7.381 -8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.390 -9.105 -8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.780 -9.304 -11.965 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.874 -10.504 -11.013 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.099 -9.698 -12.398 1.00 0.00 H new ATOM 392 N PHE A 27 9.348 -11.143 -9.665 1.00 0.00 N ATOM 393 CA PHE A 27 9.355 -12.385 -8.905 1.00 0.00 C ATOM 394 C PHE A 27 9.893 -13.555 -9.717 1.00 0.00 C ATOM 395 O PHE A 27 9.152 -14.220 -10.442 1.00 0.00 O ATOM 396 CB PHE A 27 7.945 -12.693 -8.399 1.00 0.00 C ATOM 397 CG PHE A 27 7.294 -11.524 -7.712 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.024 -10.710 -6.860 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.954 -11.237 -7.919 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.431 -9.634 -6.228 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.356 -10.161 -7.291 1.00 0.00 C ATOM 402 CZ PHE A 27 6.095 -9.358 -6.444 1.00 0.00 C ATOM 0 H PHE A 27 8.801 -11.171 -10.525 1.00 0.00 H new ATOM 0 HA PHE A 27 10.026 -12.248 -8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.324 -13.004 -9.239 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.990 -13.534 -7.707 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.069 -10.920 -6.688 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.370 -11.862 -8.579 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.012 -9.009 -5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.311 -9.948 -7.462 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.629 -8.517 -5.952 1.00 0.00 H new ATOM 412 N ASN A 28 11.185 -13.817 -9.560 1.00 0.00 N ATOM 413 CA ASN A 28 11.833 -14.928 -10.244 1.00 0.00 C ATOM 414 C ASN A 28 12.142 -16.026 -9.231 1.00 0.00 C ATOM 415 O ASN A 28 11.279 -16.848 -8.922 1.00 0.00 O ATOM 416 CB ASN A 28 13.109 -14.465 -10.964 1.00 0.00 C ATOM 417 CG ASN A 28 13.788 -13.298 -10.270 1.00 0.00 C ATOM 418 OD1 ASN A 28 14.001 -13.320 -9.058 1.00 0.00 O ATOM 419 ND2 ASN A 28 14.130 -12.271 -11.039 1.00 0.00 N ATOM 0 H ASN A 28 11.806 -13.272 -8.962 1.00 0.00 H new ATOM 0 HA ASN A 28 11.160 -15.322 -11.005 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.807 -15.299 -11.028 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.860 -14.179 -11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.589 -11.457 -10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.934 -12.296 -12.040 1.00 0.00 H new ATOM 426 N ASP A 29 13.361 -16.036 -8.694 1.00 0.00 N ATOM 427 CA ASP A 29 13.750 -17.026 -7.702 1.00 0.00 C ATOM 428 C ASP A 29 13.895 -16.359 -6.346 1.00 0.00 C ATOM 429 O ASP A 29 13.807 -15.138 -6.245 1.00 0.00 O ATOM 430 CB ASP A 29 15.061 -17.699 -8.115 1.00 0.00 C ATOM 431 CG ASP A 29 14.853 -19.116 -8.613 1.00 0.00 C ATOM 432 OD1 ASP A 29 14.125 -19.292 -9.612 1.00 0.00 O ATOM 433 OD2 ASP A 29 15.417 -20.048 -8.003 1.00 0.00 O ATOM 0 H ASP A 29 14.094 -15.368 -8.932 1.00 0.00 H new ATOM 0 HA ASP A 29 12.978 -17.793 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.538 -17.109 -8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.743 -17.712 -7.265 1.00 0.00 H new ATOM 438 N PRO A 30 14.104 -17.151 -5.280 1.00 0.00 N ATOM 439 CA PRO A 30 14.245 -16.632 -3.928 1.00 0.00 C ATOM 440 C PRO A 30 14.886 -15.249 -3.881 1.00 0.00 C ATOM 441 O PRO A 30 15.734 -14.906 -4.704 1.00 0.00 O ATOM 442 CB PRO A 30 15.142 -17.677 -3.277 1.00 0.00 C ATOM 443 CG PRO A 30 14.745 -18.965 -3.923 1.00 0.00 C ATOM 444 CD PRO A 30 14.208 -18.623 -5.296 1.00 0.00 C ATOM 0 HA PRO A 30 13.285 -16.489 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.196 -17.456 -3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.993 -17.712 -2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.599 -19.638 -3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.988 -19.477 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.878 -18.968 -6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.239 -19.090 -5.474 1.00 0.00 H new ATOM 452 N LEU A 31 14.477 -14.478 -2.889 1.00 0.00 N ATOM 453 CA LEU A 31 14.996 -13.128 -2.672 1.00 0.00 C ATOM 454 C LEU A 31 14.726 -12.699 -1.220 1.00 0.00 C ATOM 455 O LEU A 31 15.155 -13.380 -0.289 1.00 0.00 O ATOM 456 CB LEU A 31 14.375 -12.139 -3.672 1.00 0.00 C ATOM 457 CG LEU A 31 14.827 -12.301 -5.124 1.00 0.00 C ATOM 458 CD1 LEU A 31 14.145 -11.270 -6.011 1.00 0.00 C ATOM 459 CD2 LEU A 31 16.343 -12.181 -5.230 1.00 0.00 C ATOM 0 H LEU A 31 13.775 -14.765 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 31 16.073 -13.127 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.291 -12.243 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.610 -11.125 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 31 14.538 -13.295 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.478 -11.399 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.064 -11.403 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.404 -10.268 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 31 16.645 -12.299 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 31 16.656 -11.201 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.813 -12.957 -4.625 1.00 0.00 H new ATOM 471 N VAL A 32 14.010 -11.589 -1.017 1.00 0.00 N ATOM 472 CA VAL A 32 13.699 -11.128 0.335 1.00 0.00 C ATOM 473 C VAL A 32 12.603 -12.003 0.946 1.00 0.00 C ATOM 474 O VAL A 32 11.835 -12.641 0.227 1.00 0.00 O ATOM 475 CB VAL A 32 13.282 -9.625 0.368 1.00 0.00 C ATOM 476 CG1 VAL A 32 12.727 -9.165 -0.972 1.00 0.00 C ATOM 477 CG2 VAL A 32 12.274 -9.345 1.475 1.00 0.00 C ATOM 0 H VAL A 32 13.640 -11.001 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 32 14.608 -11.218 0.930 1.00 0.00 H new ATOM 0 HB VAL A 32 14.188 -9.056 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.448 -8.113 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.486 -9.293 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.849 -9.759 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.008 -8.288 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.379 -9.946 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.713 -9.601 2.440 1.00 0.00 H new ATOM 487 N SER A 33 12.540 -12.033 2.275 1.00 0.00 N ATOM 488 CA SER A 33 11.542 -12.836 2.974 1.00 0.00 C ATOM 489 C SER A 33 10.215 -12.094 3.085 1.00 0.00 C ATOM 490 O SER A 33 10.113 -10.923 2.720 1.00 0.00 O ATOM 491 CB SER A 33 12.046 -13.209 4.368 1.00 0.00 C ATOM 492 OG SER A 33 12.817 -14.399 4.333 1.00 0.00 O ATOM 0 H SER A 33 13.167 -11.512 2.888 1.00 0.00 H new ATOM 0 HA SER A 33 11.378 -13.745 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.648 -12.394 4.770 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.199 -13.341 5.041 1.00 0.00 H new ATOM 0 HG SER A 33 13.128 -14.614 5.237 1.00 0.00 H new ATOM 498 N GLU A 34 9.200 -12.783 3.594 1.00 0.00 N ATOM 499 CA GLU A 34 7.880 -12.189 3.758 1.00 0.00 C ATOM 500 C GLU A 34 7.896 -11.129 4.851 1.00 0.00 C ATOM 501 O GLU A 34 7.200 -10.122 4.762 1.00 0.00 O ATOM 502 CB GLU A 34 6.847 -13.269 4.089 1.00 0.00 C ATOM 503 CG GLU A 34 7.293 -14.222 5.185 1.00 0.00 C ATOM 504 CD GLU A 34 6.150 -15.049 5.741 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.102 -14.460 6.082 1.00 0.00 O ATOM 506 OE2 GLU A 34 6.302 -16.285 5.835 1.00 0.00 O ATOM 0 H GLU A 34 9.267 -13.754 3.900 1.00 0.00 H new ATOM 0 HA GLU A 34 7.603 -11.712 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.917 -12.789 4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.631 -13.842 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.061 -14.888 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.750 -13.651 5.993 1.00 0.00 H new ATOM 513 N GLU A 35 8.691 -11.369 5.887 1.00 0.00 N ATOM 514 CA GLU A 35 8.793 -10.437 7.005 1.00 0.00 C ATOM 515 C GLU A 35 9.484 -9.139 6.587 1.00 0.00 C ATOM 516 O GLU A 35 9.085 -8.055 7.010 1.00 0.00 O ATOM 517 CB GLU A 35 9.552 -11.080 8.167 1.00 0.00 C ATOM 518 CG GLU A 35 10.848 -11.759 7.749 1.00 0.00 C ATOM 519 CD GLU A 35 10.887 -13.227 8.127 1.00 0.00 C ATOM 520 OE1 GLU A 35 10.991 -13.527 9.335 1.00 0.00 O ATOM 521 OE2 GLU A 35 10.812 -14.076 7.215 1.00 0.00 O ATOM 0 H GLU A 35 9.275 -12.201 5.977 1.00 0.00 H new ATOM 0 HA GLU A 35 7.780 -10.195 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.776 -10.315 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.907 -11.814 8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.973 -11.662 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.689 -11.246 8.215 1.00 0.00 H new ATOM 528 N ASP A 36 10.517 -9.251 5.755 1.00 0.00 N ATOM 529 CA ASP A 36 11.248 -8.076 5.292 1.00 0.00 C ATOM 530 C ASP A 36 10.416 -7.287 4.287 1.00 0.00 C ATOM 531 O ASP A 36 10.429 -6.056 4.279 1.00 0.00 O ATOM 532 CB ASP A 36 12.581 -8.491 4.666 1.00 0.00 C ATOM 533 CG ASP A 36 13.750 -8.287 5.609 1.00 0.00 C ATOM 534 OD1 ASP A 36 13.811 -8.991 6.639 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.603 -7.421 5.319 1.00 0.00 O ATOM 0 H ASP A 36 10.864 -10.138 5.390 1.00 0.00 H new ATOM 0 HA ASP A 36 11.449 -7.436 6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.532 -9.540 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.747 -7.915 3.756 1.00 0.00 H new ATOM 540 N MET A 37 9.667 -8.008 3.461 1.00 0.00 N ATOM 541 CA MET A 37 8.803 -7.376 2.472 1.00 0.00 C ATOM 542 C MET A 37 7.602 -6.759 3.175 1.00 0.00 C ATOM 543 O MET A 37 7.266 -5.594 2.963 1.00 0.00 O ATOM 544 CB MET A 37 8.339 -8.397 1.431 1.00 0.00 C ATOM 545 CG MET A 37 8.072 -7.789 0.063 1.00 0.00 C ATOM 546 SD MET A 37 9.545 -7.043 -0.663 1.00 0.00 S ATOM 547 CE MET A 37 8.840 -5.595 -1.446 1.00 0.00 C ATOM 0 H MET A 37 9.641 -9.028 3.456 1.00 0.00 H new ATOM 0 HA MET A 37 9.363 -6.596 1.956 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.097 -9.174 1.333 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.430 -8.881 1.788 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.693 -8.561 -0.606 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.292 -7.033 0.151 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.122 -5.577 -2.499 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.754 -5.629 -1.362 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.214 -4.697 -0.954 1.00 0.00 H new ATOM 557 N VAL A 38 6.975 -7.559 4.023 1.00 0.00 N ATOM 558 CA VAL A 38 5.818 -7.130 4.791 1.00 0.00 C ATOM 559 C VAL A 38 6.166 -5.922 5.659 1.00 0.00 C ATOM 560 O VAL A 38 5.346 -5.022 5.839 1.00 0.00 O ATOM 561 CB VAL A 38 5.298 -8.287 5.678 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.386 -7.780 6.788 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.581 -9.324 4.826 1.00 0.00 C ATOM 0 H VAL A 38 7.254 -8.524 4.198 1.00 0.00 H new ATOM 0 HA VAL A 38 5.033 -6.843 4.092 1.00 0.00 H new ATOM 0 HB VAL A 38 6.160 -8.755 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.042 -8.622 7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.936 -7.083 7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.527 -7.272 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.221 -10.132 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.736 -8.857 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.272 -9.727 4.085 1.00 0.00 H new ATOM 573 N THR A 39 7.387 -5.904 6.192 1.00 0.00 N ATOM 574 CA THR A 39 7.833 -4.798 7.034 1.00 0.00 C ATOM 575 C THR A 39 8.056 -3.544 6.197 1.00 0.00 C ATOM 576 O THR A 39 7.681 -2.443 6.602 1.00 0.00 O ATOM 577 CB THR A 39 9.119 -5.177 7.774 1.00 0.00 C ATOM 578 OG1 THR A 39 8.884 -6.255 8.664 1.00 0.00 O ATOM 579 CG2 THR A 39 9.709 -4.040 8.582 1.00 0.00 C ATOM 0 H THR A 39 8.081 -6.639 6.056 1.00 0.00 H new ATOM 0 HA THR A 39 7.055 -4.590 7.769 1.00 0.00 H new ATOM 0 HB THR A 39 9.828 -5.451 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.270 -7.076 8.293 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.618 -4.380 9.079 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.948 -3.208 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.987 -3.712 9.330 1.00 0.00 H new ATOM 587 N VAL A 40 8.656 -3.716 5.022 1.00 0.00 N ATOM 588 CA VAL A 40 8.906 -2.590 4.132 1.00 0.00 C ATOM 589 C VAL A 40 7.584 -2.016 3.636 1.00 0.00 C ATOM 590 O VAL A 40 7.415 -0.799 3.543 1.00 0.00 O ATOM 591 CB VAL A 40 9.776 -3.000 2.925 1.00 0.00 C ATOM 592 CG1 VAL A 40 10.015 -1.812 2.005 1.00 0.00 C ATOM 593 CG2 VAL A 40 11.098 -3.587 3.396 1.00 0.00 C ATOM 0 H VAL A 40 8.975 -4.618 4.668 1.00 0.00 H new ATOM 0 HA VAL A 40 9.449 -1.834 4.699 1.00 0.00 H new ATOM 0 HB VAL A 40 9.241 -3.764 2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.630 -2.123 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.059 -1.438 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.527 -1.023 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.699 -3.871 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.637 -2.844 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.907 -4.467 4.010 1.00 0.00 H new ATOM 603 N VAL A 41 6.645 -2.907 3.334 1.00 0.00 N ATOM 604 CA VAL A 41 5.327 -2.504 2.865 1.00 0.00 C ATOM 605 C VAL A 41 4.573 -1.768 3.971 1.00 0.00 C ATOM 606 O VAL A 41 3.939 -0.743 3.729 1.00 0.00 O ATOM 607 CB VAL A 41 4.508 -3.728 2.398 1.00 0.00 C ATOM 608 CG1 VAL A 41 3.062 -3.347 2.115 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.148 -4.357 1.169 1.00 0.00 C ATOM 0 H VAL A 41 6.775 -3.916 3.407 1.00 0.00 H new ATOM 0 HA VAL A 41 5.462 -1.834 2.016 1.00 0.00 H new ATOM 0 HB VAL A 41 4.507 -4.462 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.511 -4.229 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.606 -2.949 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.032 -2.590 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.559 -5.218 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.183 -3.625 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.161 -4.679 1.411 1.00 0.00 H new ATOM 619 N GLU A 42 4.654 -2.301 5.188 1.00 0.00 N ATOM 620 CA GLU A 42 3.987 -1.697 6.336 1.00 0.00 C ATOM 621 C GLU A 42 4.480 -0.271 6.556 1.00 0.00 C ATOM 622 O GLU A 42 3.691 0.640 6.809 1.00 0.00 O ATOM 623 CB GLU A 42 4.227 -2.536 7.594 1.00 0.00 C ATOM 624 CG GLU A 42 2.969 -3.195 8.135 1.00 0.00 C ATOM 625 CD GLU A 42 2.450 -2.520 9.391 1.00 0.00 C ATOM 626 OE1 GLU A 42 3.083 -2.682 10.455 1.00 0.00 O ATOM 627 OE2 GLU A 42 1.414 -1.829 9.308 1.00 0.00 O ATOM 0 H GLU A 42 5.176 -3.151 5.403 1.00 0.00 H new ATOM 0 HA GLU A 42 2.917 -1.666 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.964 -3.307 7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.656 -1.900 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.194 -3.174 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.176 -4.243 8.350 1.00 0.00 H new ATOM 634 N ASP A 43 5.792 -0.081 6.448 1.00 0.00 N ATOM 635 CA ASP A 43 6.388 1.237 6.624 1.00 0.00 C ATOM 636 C ASP A 43 5.911 2.181 5.527 1.00 0.00 C ATOM 637 O ASP A 43 5.650 3.358 5.771 1.00 0.00 O ATOM 638 CB ASP A 43 7.915 1.142 6.607 1.00 0.00 C ATOM 639 CG ASP A 43 8.563 2.092 7.594 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.458 1.844 8.814 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.177 3.084 7.147 1.00 0.00 O ATOM 0 H ASP A 43 6.461 -0.823 6.240 1.00 0.00 H new ATOM 0 HA ASP A 43 6.075 1.631 7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.216 0.120 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.279 1.361 5.603 1.00 0.00 H new ATOM 646 N TRP A 44 5.823 1.652 4.311 1.00 0.00 N ATOM 647 CA TRP A 44 5.400 2.449 3.166 1.00 0.00 C ATOM 648 C TRP A 44 3.995 3.004 3.386 1.00 0.00 C ATOM 649 O TRP A 44 3.751 4.201 3.205 1.00 0.00 O ATOM 650 CB TRP A 44 5.430 1.600 1.893 1.00 0.00 C ATOM 651 CG TRP A 44 6.815 1.321 1.390 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.986 1.821 1.885 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.173 0.478 0.290 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.049 1.338 1.161 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.575 0.512 0.175 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.442 -0.303 -0.610 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.261 -0.207 -0.802 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.123 -1.015 -1.580 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.520 -0.963 -1.668 1.00 0.00 C ATOM 0 H TRP A 44 6.038 0.679 4.094 1.00 0.00 H new ATOM 0 HA TRP A 44 6.091 3.284 3.055 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.925 0.654 2.086 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.865 2.110 1.113 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.065 2.497 2.723 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.031 1.558 1.330 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.365 -0.349 -0.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.338 -0.169 -0.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.569 -1.621 -2.281 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.023 -1.532 -2.436 1.00 0.00 H new ATOM 670 N MET A 45 3.079 2.139 3.800 1.00 0.00 N ATOM 671 CA MET A 45 1.707 2.554 4.064 1.00 0.00 C ATOM 672 C MET A 45 1.632 3.410 5.324 1.00 0.00 C ATOM 673 O MET A 45 0.817 4.329 5.415 1.00 0.00 O ATOM 674 CB MET A 45 0.799 1.331 4.206 1.00 0.00 C ATOM 675 CG MET A 45 1.250 0.359 5.283 1.00 0.00 C ATOM 676 SD MET A 45 -0.058 -0.775 5.786 1.00 0.00 S ATOM 677 CE MET A 45 -0.156 -1.839 4.349 1.00 0.00 C ATOM 0 H MET A 45 3.260 1.148 3.960 1.00 0.00 H new ATOM 0 HA MET A 45 1.365 3.152 3.220 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.214 1.665 4.431 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.757 0.808 3.251 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.101 -0.214 4.916 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.594 0.920 6.152 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.168 -1.811 3.944 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.548 -1.493 3.592 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.092 -2.861 4.635 1.00 0.00 H new ATOM 687 N ASN A 46 2.478 3.092 6.299 1.00 0.00 N ATOM 688 CA ASN A 46 2.499 3.819 7.564 1.00 0.00 C ATOM 689 C ASN A 46 3.051 5.233 7.392 1.00 0.00 C ATOM 690 O ASN A 46 2.557 6.176 8.015 1.00 0.00 O ATOM 691 CB ASN A 46 3.323 3.058 8.604 1.00 0.00 C ATOM 692 CG ASN A 46 2.473 2.126 9.446 1.00 0.00 C ATOM 693 OD1 ASN A 46 2.145 2.431 10.592 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.108 0.981 8.878 1.00 0.00 N ATOM 0 H ASN A 46 3.159 2.335 6.237 1.00 0.00 H new ATOM 0 HA ASN A 46 1.469 3.901 7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.098 2.482 8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.829 3.771 9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.534 0.315 9.395 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.402 0.768 7.925 1.00 0.00 H new ATOM 701 N PHE A 47 4.062 5.397 6.545 1.00 0.00 N ATOM 702 CA PHE A 47 4.617 6.723 6.326 1.00 0.00 C ATOM 703 C PHE A 47 3.658 7.536 5.481 1.00 0.00 C ATOM 704 O PHE A 47 3.482 8.725 5.711 1.00 0.00 O ATOM 705 CB PHE A 47 6.017 6.664 5.685 1.00 0.00 C ATOM 706 CG PHE A 47 6.040 6.695 4.175 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.643 7.826 3.464 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.473 5.589 3.467 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.679 7.840 2.082 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.508 5.599 2.085 1.00 0.00 C ATOM 711 CZ PHE A 47 6.111 6.724 1.393 1.00 0.00 C ATOM 0 H PHE A 47 4.503 4.648 6.012 1.00 0.00 H new ATOM 0 HA PHE A 47 4.742 7.209 7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.604 7.503 6.058 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.514 5.753 6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.304 8.701 3.998 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.788 4.705 4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.370 8.723 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.846 4.726 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.138 6.732 0.313 1.00 0.00 H new ATOM 721 N TYR A 48 3.022 6.882 4.513 1.00 0.00 N ATOM 722 CA TYR A 48 2.066 7.561 3.656 1.00 0.00 C ATOM 723 C TYR A 48 0.856 8.006 4.470 1.00 0.00 C ATOM 724 O TYR A 48 0.385 9.134 4.330 1.00 0.00 O ATOM 725 CB TYR A 48 1.626 6.649 2.509 1.00 0.00 C ATOM 726 CG TYR A 48 2.399 6.873 1.228 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.375 8.106 0.587 1.00 0.00 C ATOM 728 CD2 TYR A 48 3.151 5.853 0.660 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.079 8.314 -0.584 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.857 6.054 -0.511 1.00 0.00 C ATOM 731 CZ TYR A 48 3.818 7.285 -1.128 1.00 0.00 C ATOM 732 OH TYR A 48 4.521 7.489 -2.294 1.00 0.00 O ATOM 0 H TYR A 48 3.152 5.892 4.307 1.00 0.00 H new ATOM 0 HA TYR A 48 2.548 8.441 3.229 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.742 5.610 2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.565 6.808 2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.797 8.914 1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.185 4.887 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.050 9.278 -1.071 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.436 5.250 -0.940 1.00 0.00 H new ATOM 0 HH TYR A 48 4.989 6.665 -2.542 1.00 0.00 H new ATOM 742 N ILE A 49 0.356 7.114 5.321 1.00 0.00 N ATOM 743 CA ILE A 49 -0.798 7.429 6.153 1.00 0.00 C ATOM 744 C ILE A 49 -0.513 8.626 7.060 1.00 0.00 C ATOM 745 O ILE A 49 -1.297 9.575 7.114 1.00 0.00 O ATOM 746 CB ILE A 49 -1.238 6.219 7.015 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.535 6.542 7.753 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.154 5.824 8.000 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.743 5.815 7.205 1.00 0.00 C ATOM 0 H ILE A 49 0.730 6.174 5.451 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.613 7.680 5.474 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.410 5.373 6.349 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.416 6.288 8.806 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.714 7.616 7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.492 4.972 8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.751 5.552 7.456 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.059 6.663 8.662 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.627 6.094 7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.888 6.087 6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.586 4.739 7.281 1.00 0.00 H new ATOM 761 N ASN A 50 0.614 8.583 7.768 1.00 0.00 N ATOM 762 CA ASN A 50 0.992 9.672 8.664 1.00 0.00 C ATOM 763 C ASN A 50 1.368 10.922 7.874 1.00 0.00 C ATOM 764 O ASN A 50 1.040 12.043 8.264 1.00 0.00 O ATOM 765 CB ASN A 50 2.160 9.245 9.556 1.00 0.00 C ATOM 766 CG ASN A 50 2.004 9.729 10.984 1.00 0.00 C ATOM 767 OD1 ASN A 50 1.132 9.264 11.718 1.00 0.00 O ATOM 768 ND2 ASN A 50 2.851 10.670 11.386 1.00 0.00 N ATOM 0 H ASN A 50 1.278 7.809 7.739 1.00 0.00 H new ATOM 0 HA ASN A 50 0.133 9.907 9.292 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.239 8.158 9.550 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.090 9.635 9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.794 11.035 12.337 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.559 11.027 10.744 1.00 0.00 H new ATOM 775 N TYR A 51 2.060 10.715 6.761 1.00 0.00 N ATOM 776 CA TYR A 51 2.492 11.807 5.899 1.00 0.00 C ATOM 777 C TYR A 51 1.288 12.525 5.299 1.00 0.00 C ATOM 778 O TYR A 51 1.272 13.752 5.188 1.00 0.00 O ATOM 779 CB TYR A 51 3.408 11.242 4.806 1.00 0.00 C ATOM 780 CG TYR A 51 3.593 12.111 3.583 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.531 13.497 3.649 1.00 0.00 C ATOM 782 CD2 TYR A 51 3.844 11.524 2.353 1.00 0.00 C ATOM 783 CE1 TYR A 51 3.711 14.270 2.517 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.026 12.284 1.222 1.00 0.00 C ATOM 785 CZ TYR A 51 3.958 13.658 1.306 1.00 0.00 C ATOM 786 OH TYR A 51 4.140 14.424 0.176 1.00 0.00 O ATOM 0 H TYR A 51 2.336 9.790 6.432 1.00 0.00 H new ATOM 0 HA TYR A 51 3.047 12.541 6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.388 11.051 5.244 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.009 10.279 4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.340 13.977 4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.898 10.448 2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.658 15.347 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.221 11.807 0.273 1.00 0.00 H new ATOM 0 HH TYR A 51 4.305 13.839 -0.593 1.00 0.00 H new ATOM 796 N TYR A 52 0.278 11.755 4.921 1.00 0.00 N ATOM 797 CA TYR A 52 -0.932 12.318 4.341 1.00 0.00 C ATOM 798 C TYR A 52 -1.788 12.987 5.407 1.00 0.00 C ATOM 799 O TYR A 52 -2.479 13.969 5.137 1.00 0.00 O ATOM 800 CB TYR A 52 -1.732 11.225 3.636 1.00 0.00 C ATOM 801 CG TYR A 52 -1.305 11.008 2.206 1.00 0.00 C ATOM 802 CD1 TYR A 52 -1.049 12.086 1.374 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.158 9.729 1.688 1.00 0.00 C ATOM 804 CE1 TYR A 52 -0.660 11.899 0.066 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.768 9.532 0.378 1.00 0.00 C ATOM 806 CZ TYR A 52 -0.521 10.624 -0.429 1.00 0.00 C ATOM 807 OH TYR A 52 -0.132 10.442 -1.733 1.00 0.00 O ATOM 0 H TYR A 52 0.273 10.739 5.006 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.641 13.075 3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.623 10.291 4.187 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.790 11.486 3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.156 13.090 1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.352 8.874 2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.465 12.751 -0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.657 8.531 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.334 11.250 -2.250 1.00 0.00 H new ATOM 817 N ARG A 53 -1.735 12.451 6.620 1.00 0.00 N ATOM 818 CA ARG A 53 -2.504 12.998 7.730 1.00 0.00 C ATOM 819 C ARG A 53 -2.120 14.452 8.004 1.00 0.00 C ATOM 820 O ARG A 53 -2.878 15.191 8.631 1.00 0.00 O ATOM 821 CB ARG A 53 -2.283 12.161 8.991 1.00 0.00 C ATOM 822 CG ARG A 53 -3.233 10.981 9.121 1.00 0.00 C ATOM 823 CD ARG A 53 -2.548 9.778 9.752 1.00 0.00 C ATOM 824 NE ARG A 53 -3.366 9.162 10.795 1.00 0.00 N ATOM 825 CZ ARG A 53 -4.420 8.386 10.550 1.00 0.00 C ATOM 826 NH1 ARG A 53 -4.783 8.121 9.302 1.00 0.00 N ATOM 827 NH2 ARG A 53 -5.110 7.867 11.558 1.00 0.00 N ATOM 0 H ARG A 53 -1.167 11.638 6.860 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.558 12.965 7.454 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.258 11.792 8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.394 12.802 9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.092 11.270 9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.613 10.709 8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.330 9.040 8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.593 10.087 10.177 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.115 9.337 11.768 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.254 8.512 8.523 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.591 7.526 9.121 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.833 8.063 12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.917 7.273 11.371 1.00 0.00 H new ATOM 841 N GLN A 54 -0.929 14.851 7.558 1.00 0.00 N ATOM 842 CA GLN A 54 -0.446 16.207 7.785 1.00 0.00 C ATOM 843 C GLN A 54 -0.757 17.139 6.609 1.00 0.00 C ATOM 844 O GLN A 54 -0.841 18.354 6.789 1.00 0.00 O ATOM 845 CB GLN A 54 1.064 16.175 8.069 1.00 0.00 C ATOM 846 CG GLN A 54 1.863 17.266 7.369 1.00 0.00 C ATOM 847 CD GLN A 54 3.339 17.218 7.710 1.00 0.00 C ATOM 848 OE1 GLN A 54 3.900 18.183 8.228 1.00 0.00 O ATOM 849 NE2 GLN A 54 3.977 16.090 7.419 1.00 0.00 N ATOM 0 H GLN A 54 -0.285 14.254 7.039 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.972 16.609 8.651 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.220 16.261 9.144 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.457 15.204 7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.740 17.166 6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.461 18.240 7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.472 15.315 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.972 15.999 7.625 1.00 0.00 H new ATOM 858 N GLN A 55 -0.921 16.582 5.409 1.00 0.00 N ATOM 859 CA GLN A 55 -1.215 17.396 4.228 1.00 0.00 C ATOM 860 C GLN A 55 -2.724 17.557 4.040 1.00 0.00 C ATOM 861 O GLN A 55 -3.262 17.319 2.959 1.00 0.00 O ATOM 862 CB GLN A 55 -0.586 16.755 2.986 1.00 0.00 C ATOM 863 CG GLN A 55 0.335 17.683 2.209 1.00 0.00 C ATOM 864 CD GLN A 55 1.312 18.429 3.100 1.00 0.00 C ATOM 865 OE1 GLN A 55 0.996 19.494 3.631 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.505 17.872 3.268 1.00 0.00 N ATOM 0 H GLN A 55 -0.856 15.580 5.229 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.786 18.388 4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.023 15.873 3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.382 16.412 2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.892 17.102 1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.267 18.404 1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.724 16.988 2.809 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.202 18.328 3.856 1.00 0.00 H new ATOM 927 N PRO A 60 -12.450 18.011 9.908 1.00 0.00 N ATOM 928 CA PRO A 60 -12.088 16.598 10.060 1.00 0.00 C ATOM 929 C PRO A 60 -12.611 15.691 8.944 1.00 0.00 C ATOM 930 O PRO A 60 -11.931 14.741 8.558 1.00 0.00 O ATOM 931 CB PRO A 60 -12.716 16.195 11.407 1.00 0.00 C ATOM 932 CG PRO A 60 -13.504 17.380 11.865 1.00 0.00 C ATOM 933 CD PRO A 60 -12.900 18.572 11.187 1.00 0.00 C ATOM 0 HA PRO A 60 -11.005 16.480 10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.357 15.321 11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.947 15.933 12.134 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.556 17.274 11.601 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.457 17.483 12.949 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.627 19.372 11.047 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.073 18.990 11.761 1.00 0.00 H new ATOM 941 N GLN A 61 -13.819 15.947 8.443 1.00 0.00 N ATOM 942 CA GLN A 61 -14.401 15.103 7.398 1.00 0.00 C ATOM 943 C GLN A 61 -13.490 14.987 6.181 1.00 0.00 C ATOM 944 O GLN A 61 -13.298 13.896 5.643 1.00 0.00 O ATOM 945 CB GLN A 61 -15.760 15.664 6.972 1.00 0.00 C ATOM 946 CG GLN A 61 -16.860 14.619 6.923 1.00 0.00 C ATOM 947 CD GLN A 61 -17.681 14.698 5.650 1.00 0.00 C ATOM 948 OE1 GLN A 61 -18.908 14.787 5.693 1.00 0.00 O ATOM 949 NE2 GLN A 61 -17.005 14.665 4.508 1.00 0.00 N ATOM 0 H GLN A 61 -14.409 16.724 8.740 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.525 14.104 7.816 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.051 16.454 7.665 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.662 16.123 5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.417 13.626 7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -17.517 14.747 7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.988 14.591 4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.503 14.714 3.619 1.00 0.00 H new ATOM 958 N GLU A 62 -12.927 16.107 5.754 1.00 0.00 N ATOM 959 CA GLU A 62 -12.032 16.116 4.604 1.00 0.00 C ATOM 960 C GLU A 62 -10.847 15.200 4.862 1.00 0.00 C ATOM 961 O GLU A 62 -10.479 14.378 4.017 1.00 0.00 O ATOM 962 CB GLU A 62 -11.545 17.539 4.316 1.00 0.00 C ATOM 963 CG GLU A 62 -11.268 17.801 2.844 1.00 0.00 C ATOM 964 CD GLU A 62 -12.025 19.004 2.314 1.00 0.00 C ATOM 965 OE1 GLU A 62 -13.273 18.967 2.313 1.00 0.00 O ATOM 966 OE2 GLU A 62 -11.369 19.982 1.899 1.00 0.00 O ATOM 0 H GLU A 62 -13.073 17.020 6.184 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.578 15.754 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.294 18.249 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.636 17.725 4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.199 17.957 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.541 16.920 2.264 1.00 0.00 H new ATOM 973 N ARG A 63 -10.264 15.334 6.049 1.00 0.00 N ATOM 974 CA ARG A 63 -9.131 14.506 6.426 1.00 0.00 C ATOM 975 C ARG A 63 -9.543 13.047 6.439 1.00 0.00 C ATOM 976 O ARG A 63 -8.862 12.197 5.873 1.00 0.00 O ATOM 977 CB ARG A 63 -8.597 14.897 7.812 1.00 0.00 C ATOM 978 CG ARG A 63 -8.754 16.373 8.151 1.00 0.00 C ATOM 979 CD ARG A 63 -7.483 16.947 8.760 1.00 0.00 C ATOM 980 NE ARG A 63 -7.400 18.395 8.588 1.00 0.00 N ATOM 981 CZ ARG A 63 -6.469 19.157 9.158 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.543 18.613 9.939 1.00 0.00 N ATOM 983 NH2 ARG A 63 -6.463 20.467 8.947 1.00 0.00 N ATOM 0 H ARG A 63 -10.557 16.004 6.760 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.339 14.661 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.114 14.306 8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.541 14.634 7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.009 16.929 7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.582 16.501 8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.449 16.705 9.822 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.615 16.477 8.298 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.096 18.849 7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.543 17.607 10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.832 19.202 10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.172 20.890 8.348 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.750 21.051 9.384 1.00 0.00 H new ATOM 997 N ASP A 64 -10.639 12.756 7.130 1.00 0.00 N ATOM 998 CA ASP A 64 -11.083 11.377 7.246 1.00 0.00 C ATOM 999 C ASP A 64 -11.251 10.746 5.870 1.00 0.00 C ATOM 1000 O ASP A 64 -10.833 9.606 5.671 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.399 11.302 8.021 1.00 0.00 C ATOM 1002 CG ASP A 64 -12.192 11.368 9.522 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -11.665 12.392 10.005 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -12.557 10.394 10.214 1.00 0.00 O ATOM 0 H ASP A 64 -11.224 13.441 7.608 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.321 10.821 7.792 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.047 12.121 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.914 10.375 7.769 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.852 11.455 4.910 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.030 10.888 3.577 1.00 0.00 C ATOM 1011 C LYS A 65 -10.681 10.553 2.958 1.00 0.00 C ATOM 1012 O LYS A 65 -10.466 9.448 2.457 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.794 11.881 2.693 1.00 0.00 C ATOM 1014 CG LYS A 65 -12.886 11.477 1.228 1.00 0.00 C ATOM 1015 CD LYS A 65 -12.817 12.692 0.314 1.00 0.00 C ATOM 1016 CE LYS A 65 -14.127 12.907 -0.431 1.00 0.00 C ATOM 1017 NZ LYS A 65 -14.110 12.278 -1.780 1.00 0.00 N ATOM 0 H LYS A 65 -12.215 12.401 5.029 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.606 9.966 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.803 11.999 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.309 12.855 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.074 10.791 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.819 10.941 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.583 13.579 0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.007 12.563 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.949 12.492 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.316 13.976 -0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.020 12.448 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.342 12.692 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.955 11.254 -1.684 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.775 11.516 2.995 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.443 11.321 2.438 1.00 0.00 C ATOM 1033 C ALA A 66 -7.736 10.150 3.114 1.00 0.00 C ATOM 1034 O ALA A 66 -7.147 9.295 2.450 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.615 12.589 2.580 1.00 0.00 C ATOM 0 H ALA A 66 -9.934 12.437 3.403 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.551 11.090 1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.623 12.425 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.105 13.405 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.523 12.847 3.635 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.783 10.132 4.442 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.130 9.089 5.223 1.00 0.00 C ATOM 1043 C LEU A 67 -7.796 7.724 5.051 1.00 0.00 C ATOM 1044 O LEU A 67 -7.114 6.698 5.078 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.113 9.481 6.702 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.921 10.343 7.132 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.619 11.411 6.089 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.192 10.981 8.486 1.00 0.00 C ATOM 0 H LEU A 67 -8.269 10.832 5.002 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.110 8.997 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.032 10.020 6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.120 8.572 7.303 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.046 9.699 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.769 12.010 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.381 10.934 5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.490 12.055 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.337 11.590 8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.080 11.610 8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.353 10.201 9.230 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.116 7.695 4.867 1.00 0.00 N ATOM 1061 CA GLN A 68 -9.812 6.426 4.689 1.00 0.00 C ATOM 1062 C GLN A 68 -9.524 5.858 3.307 1.00 0.00 C ATOM 1063 O GLN A 68 -9.227 4.672 3.164 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.320 6.585 4.899 1.00 0.00 C ATOM 1065 CG GLN A 68 -11.997 7.462 3.863 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.501 7.532 4.049 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -14.247 6.754 3.455 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -13.953 8.467 4.875 1.00 0.00 N ATOM 0 H GLN A 68 -9.714 8.521 4.838 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.443 5.729 5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.785 5.599 4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.496 7.007 5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.581 8.468 3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.775 7.078 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.298 9.091 5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.955 8.562 5.038 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.605 6.710 2.287 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.340 6.279 0.922 1.00 0.00 C ATOM 1079 C GLU A 69 -7.906 5.793 0.808 1.00 0.00 C ATOM 1080 O GLU A 69 -7.628 4.818 0.110 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.591 7.424 -0.062 1.00 0.00 C ATOM 1082 CG GLU A 69 -9.928 6.956 -1.469 1.00 0.00 C ATOM 1083 CD GLU A 69 -11.063 7.747 -2.090 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -10.790 8.812 -2.683 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -12.225 7.301 -1.983 1.00 0.00 O ATOM 0 H GLU A 69 -9.850 7.696 2.382 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.016 5.461 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.408 8.041 0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.705 8.058 -0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.043 7.043 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.198 5.900 -1.442 1.00 0.00 H new ATOM 1092 N LEU A 70 -6.999 6.450 1.526 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.604 6.035 1.515 1.00 0.00 C ATOM 1094 C LEU A 70 -5.526 4.625 2.077 1.00 0.00 C ATOM 1095 O LEU A 70 -4.924 3.730 1.484 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.764 6.988 2.372 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.633 7.714 1.645 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -2.552 6.733 1.214 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -4.173 8.483 0.451 1.00 0.00 C ATOM 0 H LEU A 70 -7.202 7.259 2.113 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.214 6.057 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.428 7.734 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.335 6.421 3.198 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.184 8.428 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.757 7.271 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.142 6.234 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.982 5.990 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.353 8.993 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.651 7.790 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.903 9.218 0.791 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.152 4.449 3.235 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.179 3.161 3.910 1.00 0.00 C ATOM 1113 C ARG A 71 -6.756 2.082 3.003 1.00 0.00 C ATOM 1114 O ARG A 71 -6.176 1.006 2.864 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.999 3.255 5.197 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.739 2.116 6.170 1.00 0.00 C ATOM 1117 CD ARG A 71 -7.276 2.435 7.555 1.00 0.00 C ATOM 1118 NE ARG A 71 -6.385 3.325 8.297 1.00 0.00 N ATOM 1119 CZ ARG A 71 -6.590 3.695 9.558 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -7.654 3.257 10.221 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -5.731 4.507 10.159 1.00 0.00 N ATOM 0 H ARG A 71 -6.651 5.190 3.728 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.154 2.888 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.777 4.201 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.059 3.269 4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.207 1.204 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.668 1.924 6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.258 2.899 7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.411 1.509 8.114 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.558 3.683 7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.319 2.634 9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.806 3.544 11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.913 4.848 9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.888 4.791 11.126 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.906 2.363 2.389 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.559 1.408 1.502 1.00 0.00 C ATOM 1137 C GLN A 72 -7.691 1.090 0.286 1.00 0.00 C ATOM 1138 O GLN A 72 -7.482 -0.076 -0.049 1.00 0.00 O ATOM 1139 CB GLN A 72 -9.913 1.977 1.058 1.00 0.00 C ATOM 1140 CG GLN A 72 -10.625 1.150 -0.001 1.00 0.00 C ATOM 1141 CD GLN A 72 -10.767 -0.303 0.396 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -11.716 -0.685 1.082 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -9.820 -1.121 -0.036 1.00 0.00 N ATOM 0 H GLN A 72 -8.403 3.248 2.492 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.711 0.476 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.561 2.063 1.930 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.761 2.985 0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.614 1.572 -0.183 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.074 1.215 -0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.053 -0.759 -0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.858 -2.113 0.197 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.191 2.129 -0.376 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.355 1.946 -1.557 1.00 0.00 C ATOM 1154 C GLU A 73 -5.146 1.076 -1.232 1.00 0.00 C ATOM 1155 O GLU A 73 -4.809 0.163 -1.983 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.891 3.301 -2.097 1.00 0.00 C ATOM 1157 CG GLU A 73 -5.714 3.325 -3.607 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.033 3.439 -4.346 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -8.056 2.961 -3.812 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -7.043 4.007 -5.458 1.00 0.00 O ATOM 0 H GLU A 73 -7.349 3.102 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.951 1.445 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.616 4.064 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.946 3.567 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.074 4.164 -3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.201 2.417 -3.924 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.529 1.342 -0.087 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.386 0.557 0.362 1.00 0.00 C ATOM 1169 C LEU A 74 -3.839 -0.859 0.706 1.00 0.00 C ATOM 1170 O LEU A 74 -3.193 -1.843 0.345 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.729 1.215 1.577 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.175 2.619 1.331 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -1.987 3.359 2.646 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.860 2.546 0.568 1.00 0.00 C ATOM 0 H LEU A 74 -4.800 2.094 0.546 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.650 0.511 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.460 1.266 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.917 0.576 1.923 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.895 3.171 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.592 4.356 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.946 3.443 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.288 2.809 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.480 3.554 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.134 1.975 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.023 2.056 -0.392 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.951 -0.936 1.432 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.512 -2.210 1.870 1.00 0.00 C ATOM 1188 C ASN A 75 -5.698 -3.169 0.701 1.00 0.00 C ATOM 1189 O ASN A 75 -5.295 -4.330 0.773 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.850 -1.985 2.575 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.265 -3.170 3.424 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.497 -4.265 2.912 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.363 -2.957 4.732 1.00 0.00 N ATOM 0 H ASN A 75 -5.486 -0.121 1.732 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.806 -2.660 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.781 -1.098 3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.621 -1.788 1.830 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.640 -3.717 5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.161 -2.033 5.115 1.00 0.00 H new ATOM 1200 N THR A 76 -6.300 -2.683 -0.373 1.00 0.00 N ATOM 1201 CA THR A 76 -6.519 -3.517 -1.548 1.00 0.00 C ATOM 1202 C THR A 76 -5.237 -3.622 -2.367 1.00 0.00 C ATOM 1203 O THR A 76 -4.818 -4.710 -2.734 1.00 0.00 O ATOM 1204 CB THR A 76 -7.645 -2.940 -2.410 1.00 0.00 C ATOM 1205 OG1 THR A 76 -8.854 -2.872 -1.675 1.00 0.00 O ATOM 1206 CG2 THR A 76 -7.917 -3.746 -3.664 1.00 0.00 C ATOM 0 H THR A 76 -6.643 -1.726 -0.457 1.00 0.00 H new ATOM 0 HA THR A 76 -6.808 -4.514 -1.215 1.00 0.00 H new ATOM 0 HB THR A 76 -7.302 -1.948 -2.703 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.561 -2.499 -2.242 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.726 -3.281 -4.227 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.018 -3.777 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.203 -4.761 -3.389 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.639 -2.476 -2.665 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.416 -2.425 -3.468 1.00 0.00 C ATOM 1216 C LEU A 77 -2.362 -3.420 -2.976 1.00 0.00 C ATOM 1217 O LEU A 77 -1.753 -4.133 -3.774 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.832 -1.010 -3.446 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.464 -0.033 -4.441 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.778 1.322 -4.368 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.395 -0.594 -5.853 1.00 0.00 C ATOM 0 H LEU A 77 -4.980 -1.563 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.686 -2.701 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.942 -0.603 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.763 -1.071 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.513 0.101 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.241 2.003 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.880 1.728 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.721 1.208 -4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.849 0.113 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.353 -0.757 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.934 -1.541 -5.895 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.146 -3.461 -1.666 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.161 -4.367 -1.076 1.00 0.00 C ATOM 1235 C ALA A 78 -1.656 -5.816 -1.029 1.00 0.00 C ATOM 1236 O ALA A 78 -0.857 -6.751 -0.969 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.791 -3.894 0.321 1.00 0.00 C ATOM 0 H ALA A 78 -2.639 -2.878 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.279 -4.349 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.057 -4.574 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.368 -2.891 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.683 -3.877 0.947 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.973 -5.991 -1.012 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.577 -7.321 -0.920 1.00 0.00 C ATOM 1245 C ASN A 79 -3.036 -8.306 -1.966 1.00 0.00 C ATOM 1246 O ASN A 79 -2.658 -9.426 -1.623 1.00 0.00 O ATOM 1247 CB ASN A 79 -5.098 -7.209 -1.058 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.835 -7.902 0.072 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -6.272 -9.045 -0.067 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.977 -7.212 1.197 1.00 0.00 N ATOM 0 H ASN A 79 -3.647 -5.227 -1.061 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.309 -7.720 0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.381 -6.157 -1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.406 -7.643 -2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.465 -7.626 1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.598 -6.267 1.267 1.00 0.00 H new ATOM 1257 N PRO A 80 -3.004 -7.923 -3.255 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.524 -8.805 -4.325 1.00 0.00 C ATOM 1259 C PRO A 80 -1.014 -9.009 -4.312 1.00 0.00 C ATOM 1260 O PRO A 80 -0.522 -10.059 -4.724 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.948 -8.078 -5.600 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.996 -6.644 -5.210 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.455 -6.625 -3.780 1.00 0.00 C ATOM 0 HA PRO A 80 -2.935 -9.809 -4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.237 -8.246 -6.409 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.919 -8.427 -5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.016 -6.178 -5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.682 -6.088 -5.849 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.014 -5.794 -3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.537 -6.517 -3.708 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.274 -8.006 -3.850 1.00 0.00 N ATOM 1272 CA PHE A 81 1.180 -8.099 -3.808 1.00 0.00 C ATOM 1273 C PHE A 81 1.630 -8.977 -2.641 1.00 0.00 C ATOM 1274 O PHE A 81 2.370 -9.943 -2.833 1.00 0.00 O ATOM 1275 CB PHE A 81 1.756 -6.680 -3.685 1.00 0.00 C ATOM 1276 CG PHE A 81 3.261 -6.573 -3.664 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.080 -7.694 -3.681 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.855 -5.321 -3.620 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.454 -7.565 -3.650 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.228 -5.186 -3.587 1.00 0.00 C ATOM 1281 CZ PHE A 81 6.028 -6.311 -3.600 1.00 0.00 C ATOM 0 H PHE A 81 -0.654 -7.126 -3.502 1.00 0.00 H new ATOM 0 HA PHE A 81 1.549 -8.563 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.382 -6.085 -4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.367 -6.230 -2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.637 -8.678 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.234 -4.438 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.080 -8.445 -3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.675 -4.204 -3.551 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.103 -6.210 -3.571 1.00 0.00 H new ATOM 1291 N LEU A 82 1.186 -8.650 -1.435 1.00 0.00 N ATOM 1292 CA LEU A 82 1.563 -9.424 -0.259 1.00 0.00 C ATOM 1293 C LEU A 82 1.119 -10.876 -0.389 1.00 0.00 C ATOM 1294 O LEU A 82 1.791 -11.785 0.099 1.00 0.00 O ATOM 1295 CB LEU A 82 0.967 -8.803 1.007 1.00 0.00 C ATOM 1296 CG LEU A 82 1.866 -7.786 1.715 1.00 0.00 C ATOM 1297 CD1 LEU A 82 3.229 -8.391 2.011 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.011 -6.526 0.875 1.00 0.00 C ATOM 0 H LEU A 82 0.569 -7.860 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 82 2.650 -9.405 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.028 -8.315 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.727 -9.603 1.708 1.00 0.00 H new ATOM 0 HG LEU A 82 1.399 -7.516 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.853 -7.653 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.108 -9.263 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.704 -8.692 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.653 -5.815 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.454 -6.780 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.029 -6.080 0.716 1.00 0.00 H new ATOM 1310 N ALA A 83 -0.011 -11.091 -1.049 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.528 -12.439 -1.238 1.00 0.00 C ATOM 1312 C ALA A 83 0.289 -13.188 -2.278 1.00 0.00 C ATOM 1313 O ALA A 83 0.667 -14.343 -2.076 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.996 -12.398 -1.635 1.00 0.00 C ATOM 0 H ALA A 83 -0.584 -10.354 -1.460 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.444 -12.973 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.364 -13.415 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.571 -11.906 -0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.105 -11.844 -2.567 1.00 0.00 H new ATOM 1320 N LYS A 84 0.570 -12.520 -3.387 1.00 0.00 N ATOM 1321 CA LYS A 84 1.357 -13.124 -4.452 1.00 0.00 C ATOM 1322 C LYS A 84 2.766 -13.428 -3.956 1.00 0.00 C ATOM 1323 O LYS A 84 3.375 -14.429 -4.344 1.00 0.00 O ATOM 1324 CB LYS A 84 1.416 -12.193 -5.665 1.00 0.00 C ATOM 1325 CG LYS A 84 1.801 -12.901 -6.955 1.00 0.00 C ATOM 1326 CD LYS A 84 0.592 -13.126 -7.851 1.00 0.00 C ATOM 1327 CE LYS A 84 0.070 -14.548 -7.736 1.00 0.00 C ATOM 1328 NZ LYS A 84 -1.340 -14.661 -8.200 1.00 0.00 N ATOM 0 H LYS A 84 0.267 -11.564 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 84 0.879 -14.057 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.444 -11.719 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.135 -11.398 -5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.545 -12.309 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.265 -13.859 -6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.198 -12.425 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.862 -12.919 -8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.700 -15.215 -8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.138 -14.877 -6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.659 -15.646 -8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.946 -14.044 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.402 -14.371 -9.197 1.00 0.00 H new ATOM 1342 N TYR A 85 3.276 -12.564 -3.082 1.00 0.00 N ATOM 1343 CA TYR A 85 4.611 -12.772 -2.544 1.00 0.00 C ATOM 1344 C TYR A 85 4.609 -13.937 -1.565 1.00 0.00 C ATOM 1345 O TYR A 85 5.437 -14.842 -1.674 1.00 0.00 O ATOM 1346 CB TYR A 85 5.143 -11.507 -1.870 1.00 0.00 C ATOM 1347 CG TYR A 85 6.633 -11.341 -2.050 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.154 -10.813 -3.225 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.521 -11.732 -1.056 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.516 -10.679 -3.404 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.886 -11.597 -1.227 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.377 -11.072 -2.403 1.00 0.00 C ATOM 1353 OH TYR A 85 10.733 -10.945 -2.582 1.00 0.00 O ATOM 0 H TYR A 85 2.796 -11.732 -2.739 1.00 0.00 H new ATOM 0 HA TYR A 85 5.275 -13.010 -3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.631 -10.637 -2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.910 -11.540 -0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.482 -10.502 -4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.139 -12.148 -0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.905 -10.268 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.564 -11.901 -0.443 1.00 0.00 H new ATOM 0 HH TYR A 85 10.915 -10.185 -3.174 1.00 0.00 H new ATOM 1363 N ARG A 86 3.707 -13.905 -0.587 1.00 0.00 N ATOM 1364 CA ARG A 86 3.659 -14.963 0.416 1.00 0.00 C ATOM 1365 C ARG A 86 3.551 -16.330 -0.248 1.00 0.00 C ATOM 1366 O ARG A 86 4.188 -17.286 0.192 1.00 0.00 O ATOM 1367 CB ARG A 86 2.488 -14.748 1.374 1.00 0.00 C ATOM 1368 CG ARG A 86 1.134 -14.760 0.691 1.00 0.00 C ATOM 1369 CD ARG A 86 0.000 -14.696 1.701 1.00 0.00 C ATOM 1370 NE ARG A 86 -1.268 -15.142 1.131 1.00 0.00 N ATOM 1371 CZ ARG A 86 -2.311 -15.538 1.859 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -2.240 -15.547 3.184 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -3.428 -15.927 1.259 1.00 0.00 N ATOM 0 H ARG A 86 3.010 -13.170 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 86 4.586 -14.927 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.507 -15.525 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.619 -13.795 1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.062 -13.914 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.037 -15.664 0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.247 -15.315 2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.105 -13.673 2.063 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.361 -15.151 0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.383 -15.250 3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.042 -15.851 3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.488 -15.923 0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.227 -16.230 1.816 1.00 0.00 H new ATOM 1387 N ASP A 87 2.767 -16.425 -1.317 1.00 0.00 N ATOM 1388 CA ASP A 87 2.623 -17.687 -2.028 1.00 0.00 C ATOM 1389 C ASP A 87 3.913 -18.019 -2.781 1.00 0.00 C ATOM 1390 O ASP A 87 4.309 -19.181 -2.874 1.00 0.00 O ATOM 1391 CB ASP A 87 1.426 -17.631 -2.990 1.00 0.00 C ATOM 1392 CG ASP A 87 1.814 -17.259 -4.411 1.00 0.00 C ATOM 1393 OD1 ASP A 87 2.445 -18.095 -5.092 1.00 0.00 O ATOM 1394 OD2 ASP A 87 1.486 -16.135 -4.842 1.00 0.00 O ATOM 0 H ASP A 87 2.228 -15.651 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 87 2.435 -18.478 -1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.930 -18.601 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.702 -16.906 -2.617 1.00 0.00 H new ATOM 1399 N PHE A 88 4.563 -16.985 -3.314 1.00 0.00 N ATOM 1400 CA PHE A 88 5.809 -17.159 -4.056 1.00 0.00 C ATOM 1401 C PHE A 88 6.896 -17.778 -3.177 1.00 0.00 C ATOM 1402 O PHE A 88 7.634 -18.660 -3.615 1.00 0.00 O ATOM 1403 CB PHE A 88 6.285 -15.805 -4.605 1.00 0.00 C ATOM 1404 CG PHE A 88 7.720 -15.796 -5.063 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.757 -15.748 -4.144 1.00 0.00 C ATOM 1406 CD2 PHE A 88 8.029 -15.834 -6.414 1.00 0.00 C ATOM 1407 CE1 PHE A 88 10.073 -15.739 -4.561 1.00 0.00 C ATOM 1408 CE2 PHE A 88 9.345 -15.824 -6.837 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.368 -15.777 -5.910 1.00 0.00 C ATOM 0 H PHE A 88 4.246 -16.018 -3.245 1.00 0.00 H new ATOM 0 HA PHE A 88 5.617 -17.840 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.646 -15.520 -5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.157 -15.047 -3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.532 -15.717 -3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.233 -15.872 -7.143 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.871 -15.702 -3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.573 -15.853 -7.892 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.397 -15.770 -6.239 1.00 0.00 H new ATOM 1419 N LEU A 89 6.997 -17.301 -1.941 1.00 0.00 N ATOM 1420 CA LEU A 89 8.007 -17.804 -1.014 1.00 0.00 C ATOM 1421 C LEU A 89 7.600 -19.150 -0.418 1.00 0.00 C ATOM 1422 O LEU A 89 8.436 -20.036 -0.246 1.00 0.00 O ATOM 1423 CB LEU A 89 8.285 -16.794 0.105 1.00 0.00 C ATOM 1424 CG LEU A 89 7.054 -16.097 0.695 1.00 0.00 C ATOM 1425 CD1 LEU A 89 6.795 -16.580 2.115 1.00 0.00 C ATOM 1426 CD2 LEU A 89 7.235 -14.586 0.670 1.00 0.00 C ATOM 0 H LEU A 89 6.396 -16.571 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 89 8.923 -17.948 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.809 -17.308 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.962 -16.031 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 89 6.188 -16.351 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.917 -16.074 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.622 -17.656 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.660 -16.356 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.352 -14.107 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.112 -14.315 1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.371 -14.253 -0.359 1.00 0.00 H new ATOM 1438 N LYS A 90 6.318 -19.302 -0.109 1.00 0.00 N ATOM 1439 CA LYS A 90 5.817 -20.549 0.464 1.00 0.00 C ATOM 1440 C LYS A 90 5.815 -21.665 -0.577 1.00 0.00 C ATOM 1441 O LYS A 90 5.957 -22.840 -0.240 1.00 0.00 O ATOM 1442 CB LYS A 90 4.404 -20.353 1.022 1.00 0.00 C ATOM 1443 CG LYS A 90 4.333 -20.434 2.540 1.00 0.00 C ATOM 1444 CD LYS A 90 3.930 -19.103 3.155 1.00 0.00 C ATOM 1445 CE LYS A 90 4.651 -18.855 4.469 1.00 0.00 C ATOM 1446 NZ LYS A 90 4.078 -19.665 5.580 1.00 0.00 N ATOM 0 H LYS A 90 5.608 -18.582 -0.244 1.00 0.00 H new ATOM 0 HA LYS A 90 6.483 -20.836 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.026 -19.383 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.745 -21.109 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.616 -21.201 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.303 -20.739 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.155 -18.296 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.853 -19.089 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.708 -19.094 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.589 -17.797 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.598 -19.466 6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.076 -19.419 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.160 -20.676 5.350 1.00 0.00 H new ATOM 1460 N SER A 91 5.649 -21.291 -1.843 1.00 0.00 N ATOM 1461 CA SER A 91 5.622 -22.263 -2.930 1.00 0.00 C ATOM 1462 C SER A 91 6.965 -22.975 -3.068 1.00 0.00 C ATOM 1463 O SER A 91 7.120 -24.112 -2.622 1.00 0.00 O ATOM 1464 CB SER A 91 5.259 -21.576 -4.248 1.00 0.00 C ATOM 1465 OG SER A 91 6.214 -20.586 -4.587 1.00 0.00 O ATOM 0 H SER A 91 5.531 -20.322 -2.140 1.00 0.00 H new ATOM 0 HA SER A 91 4.863 -23.008 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.201 -22.318 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.272 -21.120 -4.165 1.00 0.00 H new ATOM 0 HG SER A 91 6.578 -20.189 -3.768 1.00 0.00 H new