USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 Single : A 12 SER OG : rot -160:sc=6.38e-05 USER MOD Single : A 14 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.48) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.25 K(o=-1.2,f=-6.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.241 K(o=0.24,f=-1.5!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc=-0.00565 K(o=-0.0056,f=-1.1) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.8!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc=-0.00335 X(o=-0.0033,f=-0.0033) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -1.08 (180deg=-2.38!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0262 X(o=-0.026,f=-0.043) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0427 K(o=-0.043,f=-1) USER MOD Single : A 64 SER OG : rot 91:sc= 0.0034 USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= -0.0205 (180deg=-0.74) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -0.022 (180deg=-0.202) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -5.922 20.787 6.584 1.00 0.00 N ATOM 120 CA SER A 12 -6.323 20.404 5.236 1.00 0.00 C ATOM 121 C SER A 12 -6.999 19.036 5.238 1.00 0.00 C ATOM 122 O SER A 12 -6.746 18.191 6.098 1.00 0.00 O ATOM 123 CB SER A 12 -5.109 20.384 4.306 1.00 0.00 C ATOM 124 OG SER A 12 -4.816 21.683 3.821 1.00 0.00 O ATOM 0 HA SER A 12 -7.038 21.143 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.245 19.988 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.300 19.714 3.468 1.00 0.00 H new ATOM 0 HG SER A 12 -4.271 21.614 3.010 1.00 0.00 H new ATOM 130 N PRO A 13 -7.880 18.810 4.252 1.00 0.00 N ATOM 131 CA PRO A 13 -8.610 17.546 4.117 1.00 0.00 C ATOM 132 C PRO A 13 -7.702 16.394 3.702 1.00 0.00 C ATOM 133 O PRO A 13 -7.794 15.293 4.244 1.00 0.00 O ATOM 134 CB PRO A 13 -9.633 17.843 3.018 1.00 0.00 C ATOM 135 CG PRO A 13 -9.023 18.943 2.219 1.00 0.00 C ATOM 136 CD PRO A 13 -8.230 19.771 3.193 1.00 0.00 C ATOM 0 HA PRO A 13 -9.056 17.230 5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.819 16.963 2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.591 18.145 3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.382 18.545 1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.791 19.543 1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.341 20.197 2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.816 20.603 3.583 1.00 0.00 H new ATOM 144 N ASN A 14 -6.826 16.654 2.737 1.00 0.00 N ATOM 145 CA ASN A 14 -5.901 15.638 2.250 1.00 0.00 C ATOM 146 C ASN A 14 -5.074 15.061 3.395 1.00 0.00 C ATOM 147 O ASN A 14 -4.854 13.851 3.469 1.00 0.00 O ATOM 148 CB ASN A 14 -4.975 16.229 1.185 1.00 0.00 C ATOM 149 CG ASN A 14 -5.669 17.274 0.332 1.00 0.00 C ATOM 150 OD1 ASN A 14 -6.746 17.031 -0.212 1.00 0.00 O ATOM 151 ND2 ASN A 14 -5.052 18.443 0.211 1.00 0.00 N ATOM 0 H ASN A 14 -6.738 17.560 2.277 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.487 14.833 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.107 16.677 1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.604 15.429 0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.470 19.184 -0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.160 18.600 0.680 1.00 0.00 H new ATOM 158 N LEU A 15 -4.618 15.934 4.286 1.00 0.00 N ATOM 159 CA LEU A 15 -3.815 15.512 5.429 1.00 0.00 C ATOM 160 C LEU A 15 -4.655 14.712 6.419 1.00 0.00 C ATOM 161 O LEU A 15 -4.392 13.534 6.660 1.00 0.00 O ATOM 162 CB LEU A 15 -3.206 16.730 6.127 1.00 0.00 C ATOM 163 CG LEU A 15 -2.441 16.449 7.421 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.308 15.467 7.168 1.00 0.00 C ATOM 165 CD2 LEU A 15 -1.905 17.743 8.015 1.00 0.00 C ATOM 0 H LEU A 15 -4.790 16.938 4.239 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.013 14.872 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.530 17.224 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.007 17.435 6.348 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.129 16.001 8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.775 15.279 8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.716 14.530 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.620 15.887 6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.363 17.524 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.232 18.219 7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.735 18.414 8.234 1.00 0.00 H new ATOM 177 N GLN A 16 -5.667 15.359 6.987 1.00 0.00 N ATOM 178 CA GLN A 16 -6.547 14.707 7.950 1.00 0.00 C ATOM 179 C GLN A 16 -6.821 13.262 7.545 1.00 0.00 C ATOM 180 O GLN A 16 -6.782 12.355 8.376 1.00 0.00 O ATOM 181 CB GLN A 16 -7.864 15.474 8.070 1.00 0.00 C ATOM 182 CG GLN A 16 -8.827 14.875 9.083 1.00 0.00 C ATOM 183 CD GLN A 16 -8.459 15.219 10.513 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.345 16.392 10.871 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.271 14.197 11.339 1.00 0.00 N ATOM 0 H GLN A 16 -5.898 16.334 6.797 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.047 14.705 8.918 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.650 16.505 8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.348 15.503 7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.835 15.233 8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.843 13.791 8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.376 13.241 11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.022 14.368 12.313 1.00 0.00 H new ATOM 194 N LYS A 17 -7.098 13.055 6.262 1.00 0.00 N ATOM 195 CA LYS A 17 -7.378 11.721 5.744 1.00 0.00 C ATOM 196 C LYS A 17 -6.217 10.773 6.027 1.00 0.00 C ATOM 197 O LYS A 17 -6.423 9.623 6.412 1.00 0.00 O ATOM 198 CB LYS A 17 -7.647 11.782 4.239 1.00 0.00 C ATOM 199 CG LYS A 17 -7.917 10.424 3.614 1.00 0.00 C ATOM 200 CD LYS A 17 -8.846 10.536 2.417 1.00 0.00 C ATOM 201 CE LYS A 17 -9.642 9.256 2.208 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.687 9.419 1.160 1.00 0.00 N ATOM 0 H LYS A 17 -7.135 13.795 5.561 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.266 11.341 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.502 12.433 4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.789 12.237 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.975 9.972 3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.359 9.761 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.530 11.372 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.263 10.754 1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.966 8.450 1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.112 8.963 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.208 8.526 1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.347 10.171 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.237 9.674 0.258 1.00 0.00 H new ATOM 216 N ALA A 18 -4.998 11.265 5.834 1.00 0.00 N ATOM 217 CA ALA A 18 -3.804 10.463 6.071 1.00 0.00 C ATOM 218 C ALA A 18 -3.775 9.931 7.500 1.00 0.00 C ATOM 219 O ALA A 18 -3.406 8.780 7.737 1.00 0.00 O ATOM 220 CB ALA A 18 -2.553 11.280 5.785 1.00 0.00 C ATOM 0 H ALA A 18 -4.811 12.215 5.514 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.830 9.610 5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.669 10.668 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.561 11.606 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.531 12.152 6.439 1.00 0.00 H new ATOM 226 N ILE A 19 -4.166 10.775 8.449 1.00 0.00 N ATOM 227 CA ILE A 19 -4.185 10.389 9.854 1.00 0.00 C ATOM 228 C ILE A 19 -5.203 9.282 10.106 1.00 0.00 C ATOM 229 O ILE A 19 -4.851 8.192 10.558 1.00 0.00 O ATOM 230 CB ILE A 19 -4.512 11.589 10.763 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.411 12.647 10.664 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.685 11.130 12.203 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.647 13.663 9.569 1.00 0.00 C ATOM 0 H ILE A 19 -4.474 11.731 8.270 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.187 10.023 10.095 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.449 12.035 10.429 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.330 13.166 11.619 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.456 12.151 10.489 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.916 11.989 12.833 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.500 10.409 12.260 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.763 10.663 12.549 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.828 14.382 9.557 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.698 13.155 8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.585 14.186 9.754 1.00 0.00 H new ATOM 245 N ASP A 20 -6.465 9.569 9.810 1.00 0.00 N ATOM 246 CA ASP A 20 -7.535 8.596 10.001 1.00 0.00 C ATOM 247 C ASP A 20 -7.145 7.239 9.425 1.00 0.00 C ATOM 248 O ASP A 20 -7.277 6.210 10.089 1.00 0.00 O ATOM 249 CB ASP A 20 -8.826 9.091 9.347 1.00 0.00 C ATOM 250 CG ASP A 20 -10.066 8.537 10.020 1.00 0.00 C ATOM 251 OD1 ASP A 20 -10.199 8.706 11.251 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.904 7.935 9.317 1.00 0.00 O ATOM 0 H ASP A 20 -6.773 10.467 9.437 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.701 8.481 11.072 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.853 10.180 9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.829 8.806 8.295 1.00 0.00 H new ATOM 257 N LEU A 21 -6.667 7.243 8.186 1.00 0.00 N ATOM 258 CA LEU A 21 -6.259 6.012 7.519 1.00 0.00 C ATOM 259 C LEU A 21 -5.210 5.269 8.341 1.00 0.00 C ATOM 260 O LEU A 21 -5.419 4.126 8.745 1.00 0.00 O ATOM 261 CB LEU A 21 -5.706 6.322 6.127 1.00 0.00 C ATOM 262 CG LEU A 21 -6.745 6.590 5.037 1.00 0.00 C ATOM 263 CD1 LEU A 21 -6.070 7.082 3.766 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.561 5.336 4.758 1.00 0.00 C ATOM 0 H LEU A 21 -6.552 8.085 7.623 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.137 5.373 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.055 7.193 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.084 5.485 5.810 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.421 7.369 5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.825 7.267 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.530 8.006 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.371 6.326 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.295 5.545 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.898 4.537 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.075 5.026 5.668 1.00 0.00 H new ATOM 276 N ALA A 22 -4.082 5.928 8.586 1.00 0.00 N ATOM 277 CA ALA A 22 -3.003 5.333 9.363 1.00 0.00 C ATOM 278 C ALA A 22 -3.533 4.706 10.649 1.00 0.00 C ATOM 279 O ALA A 22 -3.160 3.588 11.005 1.00 0.00 O ATOM 280 CB ALA A 22 -1.942 6.377 9.681 1.00 0.00 C ATOM 0 H ALA A 22 -3.892 6.875 8.257 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.551 4.543 8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.142 5.918 10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.533 6.775 8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.390 7.187 10.257 1.00 0.00 H new ATOM 286 N SER A 23 -4.403 5.434 11.341 1.00 0.00 N ATOM 287 CA SER A 23 -4.981 4.951 12.590 1.00 0.00 C ATOM 288 C SER A 23 -5.726 3.638 12.372 1.00 0.00 C ATOM 289 O SER A 23 -5.550 2.678 13.122 1.00 0.00 O ATOM 290 CB SER A 23 -5.931 5.998 13.175 1.00 0.00 C ATOM 291 OG SER A 23 -6.194 5.740 14.544 1.00 0.00 O ATOM 0 H SER A 23 -4.723 6.360 11.058 1.00 0.00 H new ATOM 0 HA SER A 23 -4.168 4.775 13.294 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.495 6.991 13.066 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.866 5.998 12.615 1.00 0.00 H new ATOM 0 HG SER A 23 -6.802 6.424 14.895 1.00 0.00 H new ATOM 297 N LYS A 24 -6.560 3.603 11.338 1.00 0.00 N ATOM 298 CA LYS A 24 -7.332 2.408 11.018 1.00 0.00 C ATOM 299 C LYS A 24 -6.422 1.192 10.883 1.00 0.00 C ATOM 300 O LYS A 24 -6.699 0.132 11.445 1.00 0.00 O ATOM 301 CB LYS A 24 -8.118 2.616 9.721 1.00 0.00 C ATOM 302 CG LYS A 24 -9.403 1.810 9.652 1.00 0.00 C ATOM 303 CD LYS A 24 -10.180 2.106 8.380 1.00 0.00 C ATOM 304 CE LYS A 24 -11.492 1.338 8.337 1.00 0.00 C ATOM 305 NZ LYS A 24 -11.291 -0.080 7.929 1.00 0.00 N ATOM 0 H LYS A 24 -6.719 4.389 10.707 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.031 2.228 11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.357 3.674 9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.485 2.347 8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.169 0.746 9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.023 2.037 10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.381 3.175 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.574 1.843 7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.964 1.370 9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.174 1.823 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.208 -0.570 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.864 -0.111 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.660 -0.551 8.609 1.00 0.00 H new ATOM 319 N ALA A 25 -5.335 1.352 10.136 1.00 0.00 N ATOM 320 CA ALA A 25 -4.382 0.267 9.932 1.00 0.00 C ATOM 321 C ALA A 25 -4.113 -0.480 11.234 1.00 0.00 C ATOM 322 O ALA A 25 -4.369 -1.679 11.337 1.00 0.00 O ATOM 323 CB ALA A 25 -3.083 0.808 9.353 1.00 0.00 C ATOM 0 H ALA A 25 -5.092 2.222 9.662 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.817 -0.438 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.381 -0.012 9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.284 1.290 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.653 1.535 10.042 1.00 0.00 H new ATOM 329 N ALA A 26 -3.593 0.237 12.225 1.00 0.00 N ATOM 330 CA ALA A 26 -3.290 -0.358 13.521 1.00 0.00 C ATOM 331 C ALA A 26 -4.457 -1.202 14.023 1.00 0.00 C ATOM 332 O ALA A 26 -4.302 -2.393 14.290 1.00 0.00 O ATOM 333 CB ALA A 26 -2.946 0.726 14.532 1.00 0.00 C ATOM 0 H ALA A 26 -3.373 1.230 12.155 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.427 -1.013 13.400 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.722 0.267 15.495 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.077 1.284 14.185 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.793 1.404 14.641 1.00 0.00 H new ATOM 339 N GLN A 27 -5.622 -0.576 14.151 1.00 0.00 N ATOM 340 CA GLN A 27 -6.814 -1.271 14.623 1.00 0.00 C ATOM 341 C GLN A 27 -6.894 -2.676 14.035 1.00 0.00 C ATOM 342 O GLN A 27 -7.100 -3.650 14.759 1.00 0.00 O ATOM 343 CB GLN A 27 -8.070 -0.479 14.256 1.00 0.00 C ATOM 344 CG GLN A 27 -8.077 0.939 14.802 1.00 0.00 C ATOM 345 CD GLN A 27 -8.228 0.984 16.310 1.00 0.00 C ATOM 346 OE1 GLN A 27 -7.722 0.116 17.022 1.00 0.00 O ATOM 347 NE2 GLN A 27 -8.926 1.999 16.806 1.00 0.00 N ATOM 0 H GLN A 27 -5.766 0.410 13.935 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.750 -1.355 15.708 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.161 -0.442 13.170 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.946 -1.008 14.632 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.150 1.438 14.519 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.893 1.497 14.342 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.328 2.696 16.179 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.060 2.082 17.814 1.00 0.00 H new ATOM 356 N GLU A 28 -6.730 -2.772 12.720 1.00 0.00 N ATOM 357 CA GLU A 28 -6.786 -4.058 12.036 1.00 0.00 C ATOM 358 C GLU A 28 -5.704 -4.999 12.558 1.00 0.00 C ATOM 359 O GLU A 28 -5.988 -6.128 12.959 1.00 0.00 O ATOM 360 CB GLU A 28 -6.625 -3.866 10.526 1.00 0.00 C ATOM 361 CG GLU A 28 -7.717 -3.014 9.901 1.00 0.00 C ATOM 362 CD GLU A 28 -9.107 -3.548 10.186 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.424 -4.661 9.717 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.879 -2.851 10.878 1.00 0.00 O ATOM 0 H GLU A 28 -6.557 -1.975 12.107 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.760 -4.505 12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.658 -3.404 10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.617 -4.843 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.639 -1.995 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.564 -2.967 8.823 1.00 0.00 H new ATOM 371 N ASP A 29 -4.462 -4.527 12.548 1.00 0.00 N ATOM 372 CA ASP A 29 -3.337 -5.324 13.021 1.00 0.00 C ATOM 373 C ASP A 29 -3.662 -5.985 14.357 1.00 0.00 C ATOM 374 O ASP A 29 -3.640 -7.210 14.478 1.00 0.00 O ATOM 375 CB ASP A 29 -2.088 -4.452 13.160 1.00 0.00 C ATOM 376 CG ASP A 29 -0.909 -5.215 13.729 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.223 -5.913 12.953 1.00 0.00 O ATOM 378 OD2 ASP A 29 -0.671 -5.114 14.951 1.00 0.00 O ATOM 0 H ASP A 29 -4.209 -3.596 12.217 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.144 -6.106 12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.819 -4.049 12.183 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.312 -3.602 13.804 1.00 0.00 H new ATOM 383 N LYS A 30 -3.962 -5.165 15.359 1.00 0.00 N ATOM 384 CA LYS A 30 -4.293 -5.668 16.687 1.00 0.00 C ATOM 385 C LYS A 30 -5.400 -6.714 16.613 1.00 0.00 C ATOM 386 O LYS A 30 -5.304 -7.778 17.224 1.00 0.00 O ATOM 387 CB LYS A 30 -4.724 -4.517 17.598 1.00 0.00 C ATOM 388 CG LYS A 30 -4.963 -4.938 19.038 1.00 0.00 C ATOM 389 CD LYS A 30 -6.403 -5.366 19.263 1.00 0.00 C ATOM 390 CE LYS A 30 -7.347 -4.173 19.256 1.00 0.00 C ATOM 391 NZ LYS A 30 -7.459 -3.547 20.602 1.00 0.00 N ATOM 0 H LYS A 30 -3.983 -4.149 15.276 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.401 -6.138 17.102 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.958 -3.742 17.577 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.637 -4.073 17.202 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.294 -5.760 19.293 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.720 -4.111 19.705 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.700 -6.071 18.486 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.483 -5.889 20.216 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.991 -3.433 18.540 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.334 -4.493 18.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.111 -2.738 20.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.822 -4.246 21.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.522 -3.219 20.911 1.00 0.00 H new ATOM 405 N ALA A 31 -6.450 -6.406 15.858 1.00 0.00 N ATOM 406 CA ALA A 31 -7.573 -7.321 15.702 1.00 0.00 C ATOM 407 C ALA A 31 -7.123 -8.644 15.091 1.00 0.00 C ATOM 408 O ALA A 31 -7.597 -9.711 15.478 1.00 0.00 O ATOM 409 CB ALA A 31 -8.658 -6.684 14.845 1.00 0.00 C ATOM 0 H ALA A 31 -6.546 -5.530 15.345 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.981 -7.528 16.691 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.491 -7.379 14.737 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.008 -5.769 15.322 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.253 -6.448 13.861 1.00 0.00 H new ATOM 415 N GLY A 32 -6.204 -8.566 14.132 1.00 0.00 N ATOM 416 CA GLY A 32 -5.706 -9.764 13.483 1.00 0.00 C ATOM 417 C GLY A 32 -5.795 -9.684 11.972 1.00 0.00 C ATOM 418 O GLY A 32 -5.790 -10.707 11.288 1.00 0.00 O ATOM 0 H GLY A 32 -5.796 -7.694 13.794 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.668 -9.927 13.775 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.275 -10.626 13.832 1.00 0.00 H new ATOM 422 N ASN A 33 -5.877 -8.465 11.449 1.00 0.00 N ATOM 423 CA ASN A 33 -5.970 -8.255 10.009 1.00 0.00 C ATOM 424 C ASN A 33 -4.694 -7.614 9.470 1.00 0.00 C ATOM 425 O ASN A 33 -4.445 -6.428 9.684 1.00 0.00 O ATOM 426 CB ASN A 33 -7.176 -7.374 9.677 1.00 0.00 C ATOM 427 CG ASN A 33 -8.443 -8.182 9.473 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.399 -9.319 9.001 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.581 -7.598 9.830 1.00 0.00 N ATOM 0 H ASN A 33 -5.881 -7.607 12.001 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.097 -9.227 9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.331 -6.657 10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.966 -6.799 8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.466 -8.093 9.717 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.570 -6.654 10.217 1.00 0.00 H new ATOM 436 N TYR A 34 -3.891 -8.407 8.769 1.00 0.00 N ATOM 437 CA TYR A 34 -2.641 -7.918 8.201 1.00 0.00 C ATOM 438 C TYR A 34 -2.844 -7.444 6.765 1.00 0.00 C ATOM 439 O TYR A 34 -2.343 -6.391 6.371 1.00 0.00 O ATOM 440 CB TYR A 34 -1.575 -9.015 8.241 1.00 0.00 C ATOM 441 CG TYR A 34 -0.967 -9.218 9.611 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.759 -9.202 10.753 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.398 -9.425 9.764 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.209 -9.387 12.006 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.957 -9.612 11.013 1.00 0.00 C ATOM 446 CZ TYR A 34 0.150 -9.592 12.131 1.00 0.00 C ATOM 447 OH TYR A 34 0.703 -9.776 13.378 1.00 0.00 O ATOM 0 H TYR A 34 -4.084 -9.391 8.581 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.306 -7.072 8.800 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.018 -9.953 7.907 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.783 -8.767 7.534 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.823 -9.042 10.659 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.033 -9.440 8.891 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.839 -9.371 12.883 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.020 -9.773 11.114 1.00 0.00 H new ATOM 0 HH TYR A 34 1.670 -9.908 13.291 1.00 0.00 H new ATOM 457 N GLU A 35 -3.583 -8.230 5.988 1.00 0.00 N ATOM 458 CA GLU A 35 -3.853 -7.891 4.596 1.00 0.00 C ATOM 459 C GLU A 35 -4.506 -6.516 4.488 1.00 0.00 C ATOM 460 O GLU A 35 -4.149 -5.715 3.624 1.00 0.00 O ATOM 461 CB GLU A 35 -4.755 -8.948 3.956 1.00 0.00 C ATOM 462 CG GLU A 35 -5.973 -9.297 4.794 1.00 0.00 C ATOM 463 CD GLU A 35 -6.955 -10.185 4.055 1.00 0.00 C ATOM 464 OE1 GLU A 35 -7.598 -9.696 3.103 1.00 0.00 O ATOM 465 OE2 GLU A 35 -7.080 -11.370 4.430 1.00 0.00 O ATOM 0 H GLU A 35 -4.005 -9.105 6.299 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.902 -7.865 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.086 -8.589 2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.173 -9.853 3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.650 -9.799 5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.476 -8.379 5.097 1.00 0.00 H new ATOM 472 N GLU A 36 -5.464 -6.251 5.370 1.00 0.00 N ATOM 473 CA GLU A 36 -6.168 -4.974 5.372 1.00 0.00 C ATOM 474 C GLU A 36 -5.275 -3.862 5.916 1.00 0.00 C ATOM 475 O GLU A 36 -5.221 -2.767 5.357 1.00 0.00 O ATOM 476 CB GLU A 36 -7.446 -5.072 6.209 1.00 0.00 C ATOM 477 CG GLU A 36 -8.553 -4.143 5.740 1.00 0.00 C ATOM 478 CD GLU A 36 -9.370 -4.734 4.607 1.00 0.00 C ATOM 479 OE1 GLU A 36 -8.975 -4.556 3.436 1.00 0.00 O ATOM 480 OE2 GLU A 36 -10.404 -5.373 4.892 1.00 0.00 O ATOM 0 H GLU A 36 -5.770 -6.903 6.092 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.434 -4.733 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.810 -6.099 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.208 -4.845 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.212 -3.917 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.116 -3.199 5.414 1.00 0.00 H new ATOM 487 N ALA A 37 -4.578 -4.152 7.009 1.00 0.00 N ATOM 488 CA ALA A 37 -3.687 -3.178 7.628 1.00 0.00 C ATOM 489 C ALA A 37 -2.644 -2.679 6.634 1.00 0.00 C ATOM 490 O ALA A 37 -2.320 -1.491 6.602 1.00 0.00 O ATOM 491 CB ALA A 37 -3.009 -3.784 8.848 1.00 0.00 C ATOM 0 H ALA A 37 -4.613 -5.054 7.485 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.286 -2.324 7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.347 -3.046 9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.766 -4.085 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.428 -4.656 8.546 1.00 0.00 H new ATOM 497 N LEU A 38 -2.121 -3.593 5.824 1.00 0.00 N ATOM 498 CA LEU A 38 -1.113 -3.246 4.828 1.00 0.00 C ATOM 499 C LEU A 38 -1.628 -2.162 3.887 1.00 0.00 C ATOM 500 O LEU A 38 -1.045 -1.083 3.790 1.00 0.00 O ATOM 501 CB LEU A 38 -0.712 -4.485 4.026 1.00 0.00 C ATOM 502 CG LEU A 38 0.165 -4.235 2.799 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.558 -3.793 3.219 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.239 -5.485 1.933 1.00 0.00 C ATOM 0 H LEU A 38 -2.378 -4.580 5.837 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.238 -2.861 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.185 -5.169 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.620 -4.993 3.701 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.286 -3.435 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.168 -3.620 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.488 -2.872 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.018 -4.570 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.867 -5.289 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.666 -6.304 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.763 -5.758 1.602 1.00 0.00 H new ATOM 516 N GLN A 39 -2.725 -2.457 3.197 1.00 0.00 N ATOM 517 CA GLN A 39 -3.320 -1.506 2.265 1.00 0.00 C ATOM 518 C GLN A 39 -3.493 -0.139 2.918 1.00 0.00 C ATOM 519 O GLN A 39 -3.039 0.876 2.387 1.00 0.00 O ATOM 520 CB GLN A 39 -4.671 -2.023 1.769 1.00 0.00 C ATOM 521 CG GLN A 39 -4.569 -2.920 0.546 1.00 0.00 C ATOM 522 CD GLN A 39 -4.467 -2.135 -0.747 1.00 0.00 C ATOM 523 OE1 GLN A 39 -4.223 -0.928 -0.736 1.00 0.00 O ATOM 524 NE2 GLN A 39 -4.652 -2.818 -1.870 1.00 0.00 N ATOM 0 H GLN A 39 -3.220 -3.346 3.266 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.646 -1.399 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.157 -2.574 2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.311 -1.173 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.696 -3.565 0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.442 -3.571 0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.852 -3.817 -1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.594 -2.343 -2.771 1.00 0.00 H new ATOM 533 N LEU A 40 -4.151 -0.119 4.071 1.00 0.00 N ATOM 534 CA LEU A 40 -4.385 1.124 4.798 1.00 0.00 C ATOM 535 C LEU A 40 -3.071 1.843 5.083 1.00 0.00 C ATOM 536 O LEU A 40 -2.961 3.055 4.897 1.00 0.00 O ATOM 537 CB LEU A 40 -5.120 0.841 6.109 1.00 0.00 C ATOM 538 CG LEU A 40 -6.606 0.501 5.985 1.00 0.00 C ATOM 539 CD1 LEU A 40 -7.105 -0.180 7.250 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.418 1.755 5.697 1.00 0.00 C ATOM 0 H LEU A 40 -4.532 -0.950 4.523 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.004 1.770 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.619 0.014 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.020 1.714 6.754 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.733 -0.189 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.164 -0.414 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.544 -1.100 7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.965 0.486 8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.473 1.494 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.285 2.469 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.078 2.202 4.763 1.00 0.00 H new ATOM 552 N TYR A 41 -2.075 1.088 5.535 1.00 0.00 N ATOM 553 CA TYR A 41 -0.768 1.653 5.847 1.00 0.00 C ATOM 554 C TYR A 41 -0.195 2.397 4.644 1.00 0.00 C ATOM 555 O TYR A 41 0.350 3.492 4.781 1.00 0.00 O ATOM 556 CB TYR A 41 0.197 0.550 6.284 1.00 0.00 C ATOM 557 CG TYR A 41 0.119 0.228 7.760 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.218 1.231 8.716 1.00 0.00 C ATOM 559 CD2 TYR A 41 -0.053 -1.080 8.198 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.149 0.942 10.065 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.125 -1.378 9.545 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.024 -0.364 10.474 1.00 0.00 C ATOM 563 OH TYR A 41 -0.094 -0.657 11.817 1.00 0.00 O ATOM 0 H TYR A 41 -2.149 0.083 5.693 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.893 2.362 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.014 -0.353 5.712 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.215 0.852 6.040 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.351 2.255 8.399 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.132 -1.877 7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.230 1.734 10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.260 -2.400 9.869 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.218 -1.622 11.935 1.00 0.00 H new ATOM 573 N GLN A 42 -0.324 1.794 3.467 1.00 0.00 N ATOM 574 CA GLN A 42 0.180 2.398 2.240 1.00 0.00 C ATOM 575 C GLN A 42 -0.549 3.703 1.936 1.00 0.00 C ATOM 576 O GLN A 42 0.077 4.721 1.638 1.00 0.00 O ATOM 577 CB GLN A 42 0.025 1.428 1.067 1.00 0.00 C ATOM 578 CG GLN A 42 0.826 0.146 1.228 1.00 0.00 C ATOM 579 CD GLN A 42 1.135 -0.519 -0.099 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.209 0.142 -1.136 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.317 -1.834 -0.074 1.00 0.00 N ATOM 0 H GLN A 42 -0.773 0.888 3.337 1.00 0.00 H new ATOM 0 HA GLN A 42 1.238 2.619 2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.029 1.176 0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.335 1.928 0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.760 0.368 1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.270 -0.549 1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.246 -2.342 0.808 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.527 -2.336 -0.936 1.00 0.00 H new ATOM 590 N HIS A 43 -1.875 3.666 2.013 1.00 0.00 N ATOM 591 CA HIS A 43 -2.690 4.846 1.747 1.00 0.00 C ATOM 592 C HIS A 43 -2.272 6.008 2.642 1.00 0.00 C ATOM 593 O HIS A 43 -1.982 7.103 2.160 1.00 0.00 O ATOM 594 CB HIS A 43 -4.170 4.529 1.961 1.00 0.00 C ATOM 595 CG HIS A 43 -4.821 3.880 0.778 1.00 0.00 C ATOM 596 ND1 HIS A 43 -5.189 4.576 -0.354 1.00 0.00 N ATOM 597 CD2 HIS A 43 -5.168 2.591 0.555 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.735 3.743 -1.222 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.734 2.532 -0.694 1.00 0.00 N ATOM 0 H HIS A 43 -2.408 2.832 2.257 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.535 5.137 0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.271 3.874 2.826 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.700 5.452 2.196 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.026 1.763 1.234 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.117 4.007 -2.197 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.095 1.690 -1.142 1.00 0.00 H new ATOM 608 N ALA A 44 -2.243 5.763 3.948 1.00 0.00 N ATOM 609 CA ALA A 44 -1.860 6.788 4.910 1.00 0.00 C ATOM 610 C ALA A 44 -0.658 7.584 4.414 1.00 0.00 C ATOM 611 O ALA A 44 -0.730 8.803 4.257 1.00 0.00 O ATOM 612 CB ALA A 44 -1.556 6.157 6.261 1.00 0.00 C ATOM 0 H ALA A 44 -2.481 4.862 4.364 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.698 7.476 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.271 6.934 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.442 5.638 6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.737 5.446 6.154 1.00 0.00 H new ATOM 618 N VAL A 45 0.448 6.888 4.169 1.00 0.00 N ATOM 619 CA VAL A 45 1.666 7.530 3.690 1.00 0.00 C ATOM 620 C VAL A 45 1.414 8.283 2.388 1.00 0.00 C ATOM 621 O VAL A 45 1.819 9.435 2.239 1.00 0.00 O ATOM 622 CB VAL A 45 2.792 6.503 3.467 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.021 7.178 2.879 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.133 5.797 4.771 1.00 0.00 C ATOM 0 H VAL A 45 0.525 5.879 4.295 1.00 0.00 H new ATOM 0 HA VAL A 45 1.976 8.236 4.461 1.00 0.00 H new ATOM 0 HB VAL A 45 2.443 5.755 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.806 6.437 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.764 7.633 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.376 7.948 3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.930 5.075 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.463 6.531 5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.250 5.279 5.146 1.00 0.00 H new ATOM 634 N GLN A 46 0.744 7.623 1.450 1.00 0.00 N ATOM 635 CA GLN A 46 0.438 8.230 0.160 1.00 0.00 C ATOM 636 C GLN A 46 -0.129 9.634 0.340 1.00 0.00 C ATOM 637 O GLN A 46 0.349 10.591 -0.269 1.00 0.00 O ATOM 638 CB GLN A 46 -0.554 7.361 -0.615 1.00 0.00 C ATOM 639 CG GLN A 46 0.077 6.128 -1.241 1.00 0.00 C ATOM 640 CD GLN A 46 0.874 6.450 -2.489 1.00 0.00 C ATOM 641 OE1 GLN A 46 0.308 6.744 -3.543 1.00 0.00 O ATOM 642 NE2 GLN A 46 2.196 6.396 -2.378 1.00 0.00 N ATOM 0 H GLN A 46 0.403 6.668 1.559 1.00 0.00 H new ATOM 0 HA GLN A 46 1.366 8.303 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.353 7.048 0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.014 7.961 -1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.730 5.648 -0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.705 5.411 -1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.623 6.148 -1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.784 6.603 -3.185 1.00 0.00 H new ATOM 651 N TYR A 47 -1.153 9.750 1.179 1.00 0.00 N ATOM 652 CA TYR A 47 -1.788 11.037 1.437 1.00 0.00 C ATOM 653 C TYR A 47 -0.821 11.993 2.128 1.00 0.00 C ATOM 654 O TYR A 47 -0.680 13.149 1.730 1.00 0.00 O ATOM 655 CB TYR A 47 -3.039 10.848 2.296 1.00 0.00 C ATOM 656 CG TYR A 47 -4.198 10.226 1.551 1.00 0.00 C ATOM 657 CD1 TYR A 47 -5.012 10.995 0.728 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.480 8.871 1.670 1.00 0.00 C ATOM 659 CE1 TYR A 47 -6.073 10.431 0.045 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.537 8.299 0.990 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.331 9.083 0.179 1.00 0.00 C ATOM 662 OH TYR A 47 -7.386 8.516 -0.499 1.00 0.00 O ATOM 0 H TYR A 47 -1.561 8.968 1.692 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.075 11.471 0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.790 10.221 3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.349 11.816 2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.812 12.051 0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.862 8.254 2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.697 11.043 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.741 7.243 1.093 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.429 7.558 -0.296 1.00 0.00 H new ATOM 672 N PHE A 48 -0.155 11.501 3.168 1.00 0.00 N ATOM 673 CA PHE A 48 0.799 12.310 3.917 1.00 0.00 C ATOM 674 C PHE A 48 1.810 12.965 2.980 1.00 0.00 C ATOM 675 O PHE A 48 2.045 14.173 3.048 1.00 0.00 O ATOM 676 CB PHE A 48 1.529 11.449 4.951 1.00 0.00 C ATOM 677 CG PHE A 48 0.756 11.258 6.224 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.310 12.351 6.950 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.476 9.986 6.696 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.402 12.178 8.122 1.00 0.00 C ATOM 681 CE2 PHE A 48 -0.235 9.807 7.867 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.674 10.905 8.582 1.00 0.00 C ATOM 0 H PHE A 48 -0.259 10.546 3.511 1.00 0.00 H new ATOM 0 HA PHE A 48 0.246 13.095 4.433 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.742 10.473 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.489 11.910 5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.521 13.349 6.596 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.818 9.124 6.142 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.745 13.038 8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.447 8.810 8.223 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.229 10.768 9.499 1.00 0.00 H new ATOM 692 N LEU A 49 2.406 12.161 2.106 1.00 0.00 N ATOM 693 CA LEU A 49 3.392 12.662 1.155 1.00 0.00 C ATOM 694 C LEU A 49 2.800 13.769 0.289 1.00 0.00 C ATOM 695 O LEU A 49 3.285 14.901 0.291 1.00 0.00 O ATOM 696 CB LEU A 49 3.900 11.522 0.270 1.00 0.00 C ATOM 697 CG LEU A 49 4.846 10.525 0.938 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.034 9.297 0.061 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.187 11.179 1.237 1.00 0.00 C ATOM 0 H LEU A 49 2.224 11.160 2.036 1.00 0.00 H new ATOM 0 HA LEU A 49 4.228 13.076 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.039 10.975 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.410 11.956 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 49 4.401 10.208 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.711 8.599 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.070 8.815 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.456 9.596 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.847 10.454 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.638 11.526 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.037 12.027 1.906 1.00 0.00 H new ATOM 711 N HIS A 50 1.747 13.435 -0.451 1.00 0.00 N ATOM 712 CA HIS A 50 1.086 14.402 -1.321 1.00 0.00 C ATOM 713 C HIS A 50 1.046 15.781 -0.669 1.00 0.00 C ATOM 714 O HIS A 50 1.335 16.791 -1.310 1.00 0.00 O ATOM 715 CB HIS A 50 -0.334 13.938 -1.648 1.00 0.00 C ATOM 716 CG HIS A 50 -1.072 14.869 -2.560 1.00 0.00 C ATOM 717 ND1 HIS A 50 -1.045 14.756 -3.934 1.00 0.00 N ATOM 718 CD2 HIS A 50 -1.864 15.932 -2.287 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.786 15.710 -4.467 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.294 16.438 -3.489 1.00 0.00 N ATOM 0 H HIS A 50 1.333 12.503 -0.466 1.00 0.00 H new ATOM 0 HA HIS A 50 1.659 14.473 -2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.288 12.951 -2.109 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.895 13.831 -0.720 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.112 16.312 -1.307 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.949 15.868 -5.523 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.906 17.245 -3.607 1.00 0.00 H new ATOM 729 N VAL A 51 0.685 15.815 0.610 1.00 0.00 N ATOM 730 CA VAL A 51 0.607 17.069 1.349 1.00 0.00 C ATOM 731 C VAL A 51 1.971 17.746 1.428 1.00 0.00 C ATOM 732 O VAL A 51 2.154 18.860 0.937 1.00 0.00 O ATOM 733 CB VAL A 51 0.073 16.848 2.776 1.00 0.00 C ATOM 734 CG1 VAL A 51 0.091 18.150 3.562 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.330 16.261 2.734 1.00 0.00 C ATOM 0 H VAL A 51 0.442 14.988 1.156 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.085 17.713 0.806 1.00 0.00 H new ATOM 0 HB VAL A 51 0.726 16.137 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.290 17.973 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.113 18.525 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.537 18.886 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.692 16.111 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.996 16.946 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.309 15.304 2.212 1.00 0.00 H new ATOM 745 N VAL A 52 2.929 17.065 2.050 1.00 0.00 N ATOM 746 CA VAL A 52 4.278 17.599 2.193 1.00 0.00 C ATOM 747 C VAL A 52 4.837 18.045 0.847 1.00 0.00 C ATOM 748 O VAL A 52 5.756 18.862 0.784 1.00 0.00 O ATOM 749 CB VAL A 52 5.230 16.559 2.814 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.630 17.136 2.957 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.699 16.086 4.158 1.00 0.00 C ATOM 0 H VAL A 52 2.795 16.142 2.463 1.00 0.00 H new ATOM 0 HA VAL A 52 4.210 18.460 2.858 1.00 0.00 H new ATOM 0 HB VAL A 52 5.284 15.698 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.289 16.388 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.009 17.420 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.597 18.015 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.384 15.352 4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.614 16.936 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.718 15.631 4.022 1.00 0.00 H new ATOM 761 N LYS A 53 4.278 17.502 -0.229 1.00 0.00 N ATOM 762 CA LYS A 53 4.719 17.845 -1.576 1.00 0.00 C ATOM 763 C LYS A 53 4.179 19.209 -1.995 1.00 0.00 C ATOM 764 O LYS A 53 4.942 20.102 -2.363 1.00 0.00 O ATOM 765 CB LYS A 53 4.261 16.776 -2.572 1.00 0.00 C ATOM 766 CG LYS A 53 4.680 17.060 -4.004 1.00 0.00 C ATOM 767 CD LYS A 53 4.560 15.821 -4.876 1.00 0.00 C ATOM 768 CE LYS A 53 5.816 14.966 -4.804 1.00 0.00 C ATOM 769 NZ LYS A 53 5.904 14.217 -3.520 1.00 0.00 N ATOM 0 H LYS A 53 3.518 16.822 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 53 5.808 17.890 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.666 15.811 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.175 16.693 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.059 17.857 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.709 17.418 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.699 15.233 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.379 16.118 -5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.824 14.262 -5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.695 15.601 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.488 13.367 -3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.335 14.823 -2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.950 13.937 -3.215 1.00 0.00 H new ATOM 783 N TYR A 54 2.861 19.362 -1.936 1.00 0.00 N ATOM 784 CA TYR A 54 2.220 20.617 -2.310 1.00 0.00 C ATOM 785 C TYR A 54 1.747 21.376 -1.074 1.00 0.00 C ATOM 786 O TYR A 54 2.105 22.536 -0.870 1.00 0.00 O ATOM 787 CB TYR A 54 1.038 20.352 -3.243 1.00 0.00 C ATOM 788 CG TYR A 54 1.417 19.607 -4.503 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.867 20.288 -5.628 1.00 0.00 C ATOM 790 CD2 TYR A 54 1.325 18.222 -4.569 1.00 0.00 C ATOM 791 CE1 TYR A 54 2.214 19.611 -6.781 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.671 17.537 -5.718 1.00 0.00 C ATOM 793 CZ TYR A 54 2.114 18.236 -6.822 1.00 0.00 C ATOM 794 OH TYR A 54 2.459 17.559 -7.968 1.00 0.00 O ATOM 0 H TYR A 54 2.216 18.633 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 54 2.955 21.230 -2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.283 19.779 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.581 21.303 -3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.947 21.365 -5.600 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.977 17.672 -3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.562 20.156 -7.646 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.595 16.460 -5.752 1.00 0.00 H new ATOM 0 HH TYR A 54 2.332 16.597 -7.830 1.00 0.00 H new ATOM 804 N GLU A 55 0.939 20.713 -0.253 1.00 0.00 N ATOM 805 CA GLU A 55 0.416 21.325 0.963 1.00 0.00 C ATOM 806 C GLU A 55 1.452 21.282 2.082 1.00 0.00 C ATOM 807 O GLU A 55 1.128 20.982 3.231 1.00 0.00 O ATOM 808 CB GLU A 55 -0.863 20.612 1.409 1.00 0.00 C ATOM 809 CG GLU A 55 -2.084 20.979 0.583 1.00 0.00 C ATOM 810 CD GLU A 55 -2.340 22.474 0.551 1.00 0.00 C ATOM 811 OE1 GLU A 55 -1.751 23.159 -0.311 1.00 0.00 O ATOM 812 OE2 GLU A 55 -3.129 22.958 1.389 1.00 0.00 O ATOM 0 H GLU A 55 0.632 19.753 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 55 0.185 22.368 0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.707 19.535 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.057 20.852 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.951 20.615 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.959 20.473 0.991 1.00 0.00 H new ATOM 819 N ALA A 56 2.699 21.585 1.738 1.00 0.00 N ATOM 820 CA ALA A 56 3.783 21.584 2.713 1.00 0.00 C ATOM 821 C ALA A 56 3.581 22.675 3.759 1.00 0.00 C ATOM 822 O ALA A 56 3.624 23.864 3.445 1.00 0.00 O ATOM 823 CB ALA A 56 5.122 21.762 2.014 1.00 0.00 C ATOM 0 H ALA A 56 2.984 21.834 0.791 1.00 0.00 H new ATOM 0 HA ALA A 56 3.778 20.621 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.922 21.759 2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.276 20.944 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.128 22.710 1.476 1.00 0.00 H new ATOM 829 N GLN A 57 3.360 22.261 5.003 1.00 0.00 N ATOM 830 CA GLN A 57 3.150 23.205 6.095 1.00 0.00 C ATOM 831 C GLN A 57 4.456 23.894 6.478 1.00 0.00 C ATOM 832 O GLN A 57 4.534 25.121 6.517 1.00 0.00 O ATOM 833 CB GLN A 57 2.563 22.487 7.312 1.00 0.00 C ATOM 834 CG GLN A 57 1.087 22.155 7.168 1.00 0.00 C ATOM 835 CD GLN A 57 0.445 21.766 8.486 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.456 22.537 9.446 1.00 0.00 O ATOM 837 NE2 GLN A 57 -0.119 20.565 8.538 1.00 0.00 N ATOM 0 H GLN A 57 3.322 21.280 5.279 1.00 0.00 H new ATOM 0 HA GLN A 57 2.446 23.964 5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.119 21.565 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.702 23.112 8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.563 23.016 6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.970 21.338 6.456 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.105 19.959 7.718 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.567 20.249 9.398 1.00 0.00 H new ATOM 846 N GLY A 58 5.481 23.095 6.760 1.00 0.00 N ATOM 847 CA GLY A 58 6.769 23.646 7.136 1.00 0.00 C ATOM 848 C GLY A 58 7.693 22.604 7.735 1.00 0.00 C ATOM 849 O GLY A 58 7.240 21.562 8.208 1.00 0.00 O ATOM 0 H GLY A 58 5.442 22.076 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.243 24.086 6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.620 24.452 7.855 1.00 0.00 H new ATOM 853 N ASP A 59 8.991 22.884 7.713 1.00 0.00 N ATOM 854 CA ASP A 59 9.982 21.962 8.257 1.00 0.00 C ATOM 855 C ASP A 59 9.429 21.227 9.474 1.00 0.00 C ATOM 856 O ASP A 59 9.327 20.001 9.479 1.00 0.00 O ATOM 857 CB ASP A 59 11.257 22.717 8.637 1.00 0.00 C ATOM 858 CG ASP A 59 11.975 23.285 7.429 1.00 0.00 C ATOM 859 OD1 ASP A 59 11.440 24.229 6.811 1.00 0.00 O ATOM 860 OD2 ASP A 59 13.072 22.786 7.101 1.00 0.00 O ATOM 0 H ASP A 59 9.382 23.742 7.324 1.00 0.00 H new ATOM 0 HA ASP A 59 10.220 21.227 7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.006 23.528 9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.928 22.045 9.172 1.00 0.00 H new ATOM 865 N LYS A 60 9.074 21.986 10.506 1.00 0.00 N ATOM 866 CA LYS A 60 8.531 21.408 11.730 1.00 0.00 C ATOM 867 C LYS A 60 7.556 20.279 11.412 1.00 0.00 C ATOM 868 O LYS A 60 7.622 19.204 12.008 1.00 0.00 O ATOM 869 CB LYS A 60 7.828 22.485 12.558 1.00 0.00 C ATOM 870 CG LYS A 60 7.445 22.026 13.954 1.00 0.00 C ATOM 871 CD LYS A 60 6.725 23.120 14.724 1.00 0.00 C ATOM 872 CE LYS A 60 6.191 22.608 16.053 1.00 0.00 C ATOM 873 NZ LYS A 60 7.272 22.464 17.067 1.00 0.00 N ATOM 0 H LYS A 60 9.153 23.003 10.519 1.00 0.00 H new ATOM 0 HA LYS A 60 9.359 20.997 12.307 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.481 23.354 12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.930 22.807 12.032 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.805 21.147 13.886 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.341 21.727 14.498 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.408 23.951 14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.901 23.506 14.124 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.431 23.294 16.427 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.704 21.645 15.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.867 22.113 17.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.985 21.790 16.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.720 23.388 17.231 1.00 0.00 H new ATOM 887 N ALA A 61 6.653 20.530 10.470 1.00 0.00 N ATOM 888 CA ALA A 61 5.667 19.533 10.071 1.00 0.00 C ATOM 889 C ALA A 61 6.301 18.451 9.203 1.00 0.00 C ATOM 890 O ALA A 61 6.258 17.267 9.539 1.00 0.00 O ATOM 891 CB ALA A 61 4.514 20.197 9.333 1.00 0.00 C ATOM 0 H ALA A 61 6.584 21.416 9.969 1.00 0.00 H new ATOM 0 HA ALA A 61 5.281 19.058 10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.785 19.441 9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.037 20.928 9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.893 20.699 8.443 1.00 0.00 H new ATOM 897 N LYS A 62 6.888 18.864 8.085 1.00 0.00 N ATOM 898 CA LYS A 62 7.531 17.930 7.169 1.00 0.00 C ATOM 899 C LYS A 62 8.254 16.827 7.934 1.00 0.00 C ATOM 900 O LYS A 62 8.052 15.642 7.670 1.00 0.00 O ATOM 901 CB LYS A 62 8.520 18.671 6.265 1.00 0.00 C ATOM 902 CG LYS A 62 7.851 19.514 5.194 1.00 0.00 C ATOM 903 CD LYS A 62 8.694 20.725 4.830 1.00 0.00 C ATOM 904 CE LYS A 62 7.933 21.683 3.926 1.00 0.00 C ATOM 905 NZ LYS A 62 8.787 22.816 3.475 1.00 0.00 N ATOM 0 H LYS A 62 6.932 19.840 7.791 1.00 0.00 H new ATOM 0 HA LYS A 62 6.757 17.472 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.150 19.313 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.176 17.944 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.682 18.907 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.873 19.843 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.998 21.245 5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.606 20.398 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.558 21.142 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.065 22.072 4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.232 23.446 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.124 23.348 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.602 22.447 2.945 1.00 0.00 H new ATOM 919 N GLN A 63 9.096 17.224 8.883 1.00 0.00 N ATOM 920 CA GLN A 63 9.847 16.268 9.687 1.00 0.00 C ATOM 921 C GLN A 63 8.909 15.397 10.516 1.00 0.00 C ATOM 922 O GLN A 63 9.187 14.223 10.758 1.00 0.00 O ATOM 923 CB GLN A 63 10.828 17.000 10.605 1.00 0.00 C ATOM 924 CG GLN A 63 10.148 17.813 11.695 1.00 0.00 C ATOM 925 CD GLN A 63 11.099 18.203 12.810 1.00 0.00 C ATOM 926 OE1 GLN A 63 11.355 19.386 13.038 1.00 0.00 O ATOM 927 NE2 GLN A 63 11.629 17.208 13.512 1.00 0.00 N ATOM 0 H GLN A 63 9.275 18.201 9.114 1.00 0.00 H new ATOM 0 HA GLN A 63 10.407 15.623 9.009 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.493 16.271 11.068 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.451 17.662 10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.719 18.714 11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.322 17.236 12.112 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.389 16.242 13.289 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.276 17.410 14.274 1.00 0.00 H new ATOM 936 N SER A 64 7.796 15.981 10.949 1.00 0.00 N ATOM 937 CA SER A 64 6.818 15.260 11.755 1.00 0.00 C ATOM 938 C SER A 64 6.099 14.205 10.920 1.00 0.00 C ATOM 939 O SER A 64 6.012 13.041 11.313 1.00 0.00 O ATOM 940 CB SER A 64 5.801 16.234 12.353 1.00 0.00 C ATOM 941 OG SER A 64 6.244 16.730 13.604 1.00 0.00 O ATOM 0 H SER A 64 7.549 16.952 10.755 1.00 0.00 H new ATOM 0 HA SER A 64 7.349 14.759 12.564 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.640 17.064 11.665 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.841 15.732 12.477 1.00 0.00 H new ATOM 0 HG SER A 64 6.750 17.558 13.467 1.00 0.00 H new ATOM 947 N ILE A 65 5.585 14.620 9.767 1.00 0.00 N ATOM 948 CA ILE A 65 4.874 13.711 8.877 1.00 0.00 C ATOM 949 C ILE A 65 5.818 12.667 8.290 1.00 0.00 C ATOM 950 O ILE A 65 5.494 11.480 8.242 1.00 0.00 O ATOM 951 CB ILE A 65 4.189 14.472 7.726 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.180 15.479 8.281 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.506 13.497 6.779 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.700 16.482 7.255 1.00 0.00 C ATOM 0 H ILE A 65 5.648 15.580 9.428 1.00 0.00 H new ATOM 0 HA ILE A 65 4.112 13.213 9.477 1.00 0.00 H new ATOM 0 HB ILE A 65 4.949 15.018 7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.321 14.939 8.679 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.634 16.014 9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.027 14.050 5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.247 12.815 6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.754 12.926 7.324 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.987 17.164 7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.550 17.049 6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.216 15.957 6.431 1.00 0.00 H new ATOM 966 N ARG A 66 6.987 13.117 7.846 1.00 0.00 N ATOM 967 CA ARG A 66 7.978 12.221 7.262 1.00 0.00 C ATOM 968 C ARG A 66 8.244 11.032 8.181 1.00 0.00 C ATOM 969 O ARG A 66 8.154 9.879 7.762 1.00 0.00 O ATOM 970 CB ARG A 66 9.283 12.974 6.995 1.00 0.00 C ATOM 971 CG ARG A 66 9.260 13.797 5.717 1.00 0.00 C ATOM 972 CD ARG A 66 10.489 14.685 5.604 1.00 0.00 C ATOM 973 NE ARG A 66 11.720 13.906 5.502 1.00 0.00 N ATOM 974 CZ ARG A 66 12.858 14.389 5.017 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.921 15.644 4.592 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.936 13.618 4.956 1.00 0.00 N ATOM 0 H ARG A 66 7.271 14.096 7.879 1.00 0.00 H new ATOM 0 HA ARG A 66 7.582 11.848 6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.492 13.633 7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.102 12.257 6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.210 13.131 4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.361 14.413 5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.393 15.327 4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.545 15.339 6.474 1.00 0.00 H new ATOM 0 HE ARG A 66 11.705 12.937 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.094 16.240 4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.796 16.013 4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.892 12.652 5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.809 13.991 4.583 1.00 0.00 H new ATOM 990 N ALA A 67 8.572 11.322 9.436 1.00 0.00 N ATOM 991 CA ALA A 67 8.849 10.278 10.414 1.00 0.00 C ATOM 992 C ALA A 67 7.796 9.176 10.355 1.00 0.00 C ATOM 993 O ALA A 67 8.123 7.989 10.354 1.00 0.00 O ATOM 994 CB ALA A 67 8.918 10.870 11.814 1.00 0.00 C ATOM 0 H ALA A 67 8.652 12.272 9.799 1.00 0.00 H new ATOM 0 HA ALA A 67 9.815 9.835 10.171 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.126 10.078 12.534 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.712 11.615 11.855 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.966 11.341 12.057 1.00 0.00 H new ATOM 1000 N LYS A 68 6.530 9.577 10.306 1.00 0.00 N ATOM 1001 CA LYS A 68 5.428 8.624 10.245 1.00 0.00 C ATOM 1002 C LYS A 68 5.487 7.804 8.961 1.00 0.00 C ATOM 1003 O LYS A 68 5.298 6.587 8.982 1.00 0.00 O ATOM 1004 CB LYS A 68 4.088 9.358 10.333 1.00 0.00 C ATOM 1005 CG LYS A 68 3.581 9.532 11.754 1.00 0.00 C ATOM 1006 CD LYS A 68 4.461 10.482 12.548 1.00 0.00 C ATOM 1007 CE LYS A 68 5.584 9.741 13.258 1.00 0.00 C ATOM 1008 NZ LYS A 68 6.399 10.651 14.109 1.00 0.00 N ATOM 0 H LYS A 68 6.242 10.555 10.307 1.00 0.00 H new ATOM 0 HA LYS A 68 5.521 7.945 11.092 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.190 10.340 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.344 8.809 9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.560 9.913 11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.550 8.563 12.251 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.884 11.232 11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.855 11.014 13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.162 8.948 13.875 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.227 9.262 12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.341 10.236 14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.497 11.573 13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.929 10.781 15.028 1.00 0.00 H new ATOM 1022 N CYS A 69 5.753 8.476 7.847 1.00 0.00 N ATOM 1023 CA CYS A 69 5.838 7.808 6.553 1.00 0.00 C ATOM 1024 C CYS A 69 6.795 6.622 6.615 1.00 0.00 C ATOM 1025 O CYS A 69 6.494 5.540 6.109 1.00 0.00 O ATOM 1026 CB CYS A 69 6.298 8.793 5.477 1.00 0.00 C ATOM 1027 SG CYS A 69 5.042 10.001 4.997 1.00 0.00 S ATOM 0 H CYS A 69 5.914 9.483 7.813 1.00 0.00 H new ATOM 0 HA CYS A 69 4.845 7.438 6.297 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.178 9.324 5.838 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.604 8.233 4.594 1.00 0.00 H new ATOM 0 HG CYS A 69 5.526 10.791 4.085 1.00 0.00 H new ATOM 1033 N THR A 70 7.950 6.831 7.239 1.00 0.00 N ATOM 1034 CA THR A 70 8.952 5.781 7.365 1.00 0.00 C ATOM 1035 C THR A 70 8.455 4.652 8.261 1.00 0.00 C ATOM 1036 O THR A 70 8.655 3.476 7.960 1.00 0.00 O ATOM 1037 CB THR A 70 10.273 6.330 7.936 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.789 7.354 7.077 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.302 5.219 8.084 1.00 0.00 C ATOM 0 H THR A 70 8.214 7.719 7.665 1.00 0.00 H new ATOM 0 HA THR A 70 9.132 5.394 6.362 1.00 0.00 H new ATOM 0 HB THR A 70 10.071 6.750 8.921 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.628 7.700 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.226 5.631 8.489 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.918 4.455 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.500 4.774 7.109 1.00 0.00 H new ATOM 1047 N GLU A 71 7.807 5.019 9.362 1.00 0.00 N ATOM 1048 CA GLU A 71 7.281 4.035 10.302 1.00 0.00 C ATOM 1049 C GLU A 71 6.212 3.168 9.641 1.00 0.00 C ATOM 1050 O GLU A 71 6.311 1.941 9.632 1.00 0.00 O ATOM 1051 CB GLU A 71 6.699 4.732 11.533 1.00 0.00 C ATOM 1052 CG GLU A 71 6.134 3.772 12.566 1.00 0.00 C ATOM 1053 CD GLU A 71 7.034 2.575 12.804 1.00 0.00 C ATOM 1054 OE1 GLU A 71 7.978 2.695 13.614 1.00 0.00 O ATOM 1055 OE2 GLU A 71 6.796 1.520 12.180 1.00 0.00 O ATOM 0 H GLU A 71 7.634 5.989 9.625 1.00 0.00 H new ATOM 0 HA GLU A 71 8.104 3.392 10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.477 5.337 11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.911 5.415 11.215 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.985 4.303 13.506 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.154 3.426 12.237 1.00 0.00 H new ATOM 1062 N TYR A 72 5.192 3.816 9.091 1.00 0.00 N ATOM 1063 CA TYR A 72 4.103 3.106 8.431 1.00 0.00 C ATOM 1064 C TYR A 72 4.616 2.312 7.234 1.00 0.00 C ATOM 1065 O TYR A 72 4.220 1.166 7.018 1.00 0.00 O ATOM 1066 CB TYR A 72 3.024 4.091 7.979 1.00 0.00 C ATOM 1067 CG TYR A 72 2.407 4.878 9.114 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.032 4.251 10.296 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.199 6.247 9.004 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.468 4.965 11.335 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.637 6.969 10.039 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.273 6.324 11.202 1.00 0.00 C ATOM 1073 OH TYR A 72 0.712 7.039 12.235 1.00 0.00 O ATOM 0 H TYR A 72 5.096 4.831 9.089 1.00 0.00 H new ATOM 0 HA TYR A 72 3.671 2.408 9.148 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.457 4.786 7.260 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.238 3.543 7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.184 3.187 10.404 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.481 6.755 8.094 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.181 4.462 12.247 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.484 8.033 9.938 1.00 0.00 H new ATOM 0 HH TYR A 72 0.645 7.983 11.981 1.00 0.00 H new ATOM 1083 N LEU A 73 5.501 2.929 6.458 1.00 0.00 N ATOM 1084 CA LEU A 73 6.071 2.282 5.282 1.00 0.00 C ATOM 1085 C LEU A 73 6.806 1.002 5.668 1.00 0.00 C ATOM 1086 O LEU A 73 6.557 -0.063 5.104 1.00 0.00 O ATOM 1087 CB LEU A 73 7.027 3.235 4.563 1.00 0.00 C ATOM 1088 CG LEU A 73 6.378 4.258 3.630 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.386 5.319 3.217 1.00 0.00 C ATOM 1090 CD2 LEU A 73 5.796 3.568 2.405 1.00 0.00 C ATOM 0 H LEU A 73 5.839 3.877 6.623 1.00 0.00 H new ATOM 0 HA LEU A 73 5.254 2.022 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.605 3.773 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.733 2.641 3.983 1.00 0.00 H new ATOM 0 HG LEU A 73 5.566 4.747 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.906 6.038 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.756 5.834 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.220 4.846 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.338 4.311 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.591 3.052 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.042 2.846 2.718 1.00 0.00 H new ATOM 1102 N ASP A 74 7.712 1.114 6.634 1.00 0.00 N ATOM 1103 CA ASP A 74 8.481 -0.034 7.098 1.00 0.00 C ATOM 1104 C ASP A 74 7.564 -1.100 7.688 1.00 0.00 C ATOM 1105 O ASP A 74 7.683 -2.283 7.366 1.00 0.00 O ATOM 1106 CB ASP A 74 9.512 0.403 8.140 1.00 0.00 C ATOM 1107 CG ASP A 74 10.748 -0.475 8.136 1.00 0.00 C ATOM 1108 OD1 ASP A 74 11.177 -0.891 7.039 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.287 -0.745 9.229 1.00 0.00 O ATOM 0 H ASP A 74 7.931 1.989 7.111 1.00 0.00 H new ATOM 0 HA ASP A 74 9.001 -0.462 6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.803 1.436 7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.056 0.379 9.130 1.00 0.00 H new ATOM 1114 N ARG A 75 6.650 -0.674 8.554 1.00 0.00 N ATOM 1115 CA ARG A 75 5.714 -1.593 9.190 1.00 0.00 C ATOM 1116 C ARG A 75 5.047 -2.494 8.155 1.00 0.00 C ATOM 1117 O ARG A 75 4.953 -3.707 8.341 1.00 0.00 O ATOM 1118 CB ARG A 75 4.650 -0.814 9.966 1.00 0.00 C ATOM 1119 CG ARG A 75 3.555 -1.693 10.548 1.00 0.00 C ATOM 1120 CD ARG A 75 4.099 -2.623 11.622 1.00 0.00 C ATOM 1121 NE ARG A 75 3.095 -2.935 12.635 1.00 0.00 N ATOM 1122 CZ ARG A 75 3.281 -3.826 13.604 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.427 -4.487 13.690 1.00 0.00 N ATOM 1124 NH2 ARG A 75 2.319 -4.055 14.489 1.00 0.00 N ATOM 0 H ARG A 75 6.538 0.301 8.831 1.00 0.00 H new ATOM 0 HA ARG A 75 6.274 -2.220 9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.132 -0.265 10.775 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.198 -0.075 9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.770 -1.066 10.971 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.098 -2.282 9.753 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.447 -3.547 11.160 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.963 -2.160 12.099 1.00 0.00 H new ATOM 0 HE ARG A 75 2.202 -2.443 12.597 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.169 -4.312 13.012 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.567 -5.170 14.434 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.437 -3.547 14.426 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.462 -4.739 15.232 1.00 0.00 H new ATOM 1138 N ALA A 76 4.585 -1.891 7.064 1.00 0.00 N ATOM 1139 CA ALA A 76 3.928 -2.639 5.999 1.00 0.00 C ATOM 1140 C ALA A 76 4.864 -3.686 5.405 1.00 0.00 C ATOM 1141 O ALA A 76 4.480 -4.840 5.220 1.00 0.00 O ATOM 1142 CB ALA A 76 3.438 -1.691 4.914 1.00 0.00 C ATOM 0 H ALA A 76 4.654 -0.887 6.895 1.00 0.00 H new ATOM 0 HA ALA A 76 3.071 -3.158 6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.949 -2.263 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.728 -0.984 5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.285 -1.147 4.496 1.00 0.00 H new ATOM 1148 N GLU A 77 6.093 -3.275 5.110 1.00 0.00 N ATOM 1149 CA GLU A 77 7.082 -4.179 4.535 1.00 0.00 C ATOM 1150 C GLU A 77 6.949 -5.579 5.128 1.00 0.00 C ATOM 1151 O GLU A 77 6.851 -6.567 4.401 1.00 0.00 O ATOM 1152 CB GLU A 77 8.495 -3.644 4.776 1.00 0.00 C ATOM 1153 CG GLU A 77 8.756 -2.298 4.120 1.00 0.00 C ATOM 1154 CD GLU A 77 8.511 -2.321 2.624 1.00 0.00 C ATOM 1155 OE1 GLU A 77 9.440 -2.696 1.877 1.00 0.00 O ATOM 1156 OE2 GLU A 77 7.393 -1.965 2.199 1.00 0.00 O ATOM 0 H GLU A 77 6.427 -2.323 5.259 1.00 0.00 H new ATOM 0 HA GLU A 77 6.902 -4.239 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.662 -3.554 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.218 -4.368 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.115 -1.545 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.787 -1.999 4.311 1.00 0.00 H new ATOM 1163 N LYS A 78 6.948 -5.655 6.455 1.00 0.00 N ATOM 1164 CA LYS A 78 6.826 -6.932 7.148 1.00 0.00 C ATOM 1165 C LYS A 78 5.499 -7.607 6.816 1.00 0.00 C ATOM 1166 O LYS A 78 5.471 -8.737 6.324 1.00 0.00 O ATOM 1167 CB LYS A 78 6.942 -6.728 8.660 1.00 0.00 C ATOM 1168 CG LYS A 78 8.343 -6.361 9.118 1.00 0.00 C ATOM 1169 CD LYS A 78 9.279 -7.557 9.065 1.00 0.00 C ATOM 1170 CE LYS A 78 8.997 -8.536 10.194 1.00 0.00 C ATOM 1171 NZ LYS A 78 9.388 -7.981 11.520 1.00 0.00 N ATOM 0 H LYS A 78 7.030 -4.847 7.072 1.00 0.00 H new ATOM 0 HA LYS A 78 7.636 -7.578 6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.251 -5.943 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.631 -7.642 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.735 -5.563 8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.304 -5.973 10.136 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.169 -8.064 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.312 -7.215 9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.936 -8.784 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.540 -9.464 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.423 -8.748 12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.325 -7.536 11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.690 -7.271 11.819 1.00 0.00 H new ATOM 1185 N LEU A 79 4.402 -6.910 7.086 1.00 0.00 N ATOM 1186 CA LEU A 79 3.071 -7.441 6.815 1.00 0.00 C ATOM 1187 C LEU A 79 3.050 -8.212 5.498 1.00 0.00 C ATOM 1188 O LEU A 79 2.263 -9.142 5.323 1.00 0.00 O ATOM 1189 CB LEU A 79 2.046 -6.306 6.770 1.00 0.00 C ATOM 1190 CG LEU A 79 1.809 -5.565 8.086 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.693 -4.543 7.929 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.482 -6.547 9.201 1.00 0.00 C ATOM 0 H LEU A 79 4.408 -5.975 7.493 1.00 0.00 H new ATOM 0 HA LEU A 79 2.810 -8.127 7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.367 -5.582 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.095 -6.715 6.430 1.00 0.00 H new ATOM 0 HG LEU A 79 2.724 -5.036 8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.538 -4.025 8.876 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.967 -3.820 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.227 -5.050 7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.317 -6.001 10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.582 -7.104 8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.313 -7.240 9.331 1.00 0.00 H new ATOM 1204 N LYS A 80 3.923 -7.821 4.576 1.00 0.00 N ATOM 1205 CA LYS A 80 4.009 -8.476 3.276 1.00 0.00 C ATOM 1206 C LYS A 80 4.784 -9.786 3.378 1.00 0.00 C ATOM 1207 O LYS A 80 4.305 -10.835 2.948 1.00 0.00 O ATOM 1208 CB LYS A 80 4.681 -7.551 2.259 1.00 0.00 C ATOM 1209 CG LYS A 80 4.197 -6.113 2.332 1.00 0.00 C ATOM 1210 CD LYS A 80 5.273 -5.139 1.881 1.00 0.00 C ATOM 1211 CE LYS A 80 5.193 -4.874 0.386 1.00 0.00 C ATOM 1212 NZ LYS A 80 6.502 -4.429 -0.169 1.00 0.00 N ATOM 0 H LYS A 80 4.582 -7.053 4.705 1.00 0.00 H new ATOM 0 HA LYS A 80 2.996 -8.698 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.759 -7.571 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.500 -7.936 1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.312 -5.994 1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.899 -5.880 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.166 -4.200 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.256 -5.541 2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.870 -5.780 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.438 -4.112 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.406 -4.259 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.798 -3.551 0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.217 -5.167 -0.007 1.00 0.00 H new ATOM 1226 N GLU A 81 5.982 -9.717 3.950 1.00 0.00 N ATOM 1227 CA GLU A 81 6.821 -10.899 4.108 1.00 0.00 C ATOM 1228 C GLU A 81 6.147 -11.929 5.010 1.00 0.00 C ATOM 1229 O GLU A 81 6.403 -13.128 4.900 1.00 0.00 O ATOM 1230 CB GLU A 81 8.183 -10.511 4.687 1.00 0.00 C ATOM 1231 CG GLU A 81 8.212 -10.482 6.206 1.00 0.00 C ATOM 1232 CD GLU A 81 9.560 -10.057 6.756 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.059 -8.989 6.344 1.00 0.00 O ATOM 1234 OE2 GLU A 81 10.116 -10.793 7.598 1.00 0.00 O ATOM 0 H GLU A 81 6.393 -8.856 4.311 1.00 0.00 H new ATOM 0 HA GLU A 81 6.966 -11.344 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.934 -11.216 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.463 -9.528 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.444 -9.798 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.963 -11.472 6.589 1.00 0.00 H new ATOM 1241 N TYR A 82 5.286 -11.452 5.901 1.00 0.00 N ATOM 1242 CA TYR A 82 4.577 -12.329 6.825 1.00 0.00 C ATOM 1243 C TYR A 82 3.407 -13.020 6.130 1.00 0.00 C ATOM 1244 O TYR A 82 3.266 -14.242 6.194 1.00 0.00 O ATOM 1245 CB TYR A 82 4.071 -11.535 8.030 1.00 0.00 C ATOM 1246 CG TYR A 82 2.885 -12.170 8.719 1.00 0.00 C ATOM 1247 CD1 TYR A 82 3.062 -13.167 9.671 1.00 0.00 C ATOM 1248 CD2 TYR A 82 1.588 -11.774 8.419 1.00 0.00 C ATOM 1249 CE1 TYR A 82 1.981 -13.751 10.303 1.00 0.00 C ATOM 1250 CE2 TYR A 82 0.501 -12.351 9.048 1.00 0.00 C ATOM 1251 CZ TYR A 82 0.703 -13.339 9.988 1.00 0.00 C ATOM 1252 OH TYR A 82 -0.377 -13.918 10.615 1.00 0.00 O ATOM 0 H TYR A 82 5.062 -10.462 6.003 1.00 0.00 H new ATOM 0 HA TYR A 82 5.275 -13.092 7.169 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.883 -11.426 8.749 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.797 -10.532 7.704 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.062 -13.491 9.921 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.426 -11.002 7.681 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.136 -14.526 11.039 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.501 -12.030 8.805 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.205 -13.514 10.280 1.00 0.00 H new ATOM 1262 N LEU A 83 2.571 -12.230 5.466 1.00 0.00 N ATOM 1263 CA LEU A 83 1.413 -12.763 4.758 1.00 0.00 C ATOM 1264 C LEU A 83 1.847 -13.684 3.621 1.00 0.00 C ATOM 1265 O LEU A 83 1.232 -14.724 3.381 1.00 0.00 O ATOM 1266 CB LEU A 83 0.558 -11.622 4.206 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.344 -10.910 5.215 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.903 -9.627 4.620 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.471 -11.828 5.664 1.00 0.00 C ATOM 0 H LEU A 83 2.674 -11.217 5.403 1.00 0.00 H new ATOM 0 HA LEU A 83 0.821 -13.343 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.221 -10.883 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.067 -12.018 3.406 1.00 0.00 H new ATOM 0 HG LEU A 83 0.255 -10.650 6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.542 -9.135 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.082 -8.963 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.486 -9.863 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.103 -11.305 6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.068 -12.120 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.051 -12.718 6.132 1.00 0.00 H new ATOM 1281 N LYS A 84 2.910 -13.297 2.926 1.00 0.00 N ATOM 1282 CA LYS A 84 3.430 -14.088 1.817 1.00 0.00 C ATOM 1283 C LYS A 84 3.557 -15.556 2.209 1.00 0.00 C ATOM 1284 O LYS A 84 2.854 -16.414 1.677 1.00 0.00 O ATOM 1285 CB LYS A 84 4.790 -13.548 1.371 1.00 0.00 C ATOM 1286 CG LYS A 84 4.696 -12.453 0.322 1.00 0.00 C ATOM 1287 CD LYS A 84 5.995 -12.311 -0.453 1.00 0.00 C ATOM 1288 CE LYS A 84 6.118 -10.934 -1.087 1.00 0.00 C ATOM 1289 NZ LYS A 84 5.531 -10.898 -2.455 1.00 0.00 N ATOM 0 H LYS A 84 3.429 -12.439 3.111 1.00 0.00 H new ATOM 0 HA LYS A 84 2.727 -14.011 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.321 -13.161 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.385 -14.370 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.882 -12.677 -0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.453 -11.506 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.839 -12.482 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.043 -13.075 -1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.617 -10.199 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.169 -10.649 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.635 -9.943 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.026 -11.582 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.522 -11.145 -2.406 1.00 0.00 H new