USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 54 SER OG : rot -132:sc= 0.506 USER MOD Set 1.2: A 87 GLN : amide:sc= 0.467 K(o=0.97,f=-1.7) USER MOD Set 2.1: A 71 LYS NZ :NH3+ 141:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 72 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= 0.812 (180deg=-0.357) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.733 K(o=0.73,f=-0.51) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 28 HIS : no HD1:sc= -0.842 K(o=-0.84,f=-1.9) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -110:sc= -0.956! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -139:sc= 0 (180deg=-1.29) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.13) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -122:sc= 0.584 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -31:sc= 0.414 USER MOD Single : A 53 ASN : amide:sc= -0.0515 K(o=-0.052,f=-1.4!) USER MOD Single : A 65 ASN : amide:sc= 0.0238 X(o=0.024,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.381 USER MOD Single : A 75 MET CE :methyl -136:sc= -1.77! (180deg=-3.29!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 -2.797 5.568 1.102 1.00 0.00 N ATOM 158 CA TYR A 14 -3.827 4.695 1.639 1.00 0.00 C ATOM 159 C TYR A 14 -4.182 3.569 0.705 1.00 0.00 C ATOM 160 O TYR A 14 -3.990 3.646 -0.508 1.00 0.00 O ATOM 161 CB TYR A 14 -5.091 5.456 2.038 1.00 0.00 C ATOM 162 CG TYR A 14 -4.953 6.319 3.279 1.00 0.00 C ATOM 163 CD1 TYR A 14 -3.796 7.035 3.536 1.00 0.00 C ATOM 164 CD2 TYR A 14 -5.993 6.416 4.187 1.00 0.00 C ATOM 165 CE1 TYR A 14 -3.675 7.821 4.657 1.00 0.00 C ATOM 166 CE2 TYR A 14 -5.882 7.203 5.316 1.00 0.00 C ATOM 167 CZ TYR A 14 -4.717 7.903 5.544 1.00 0.00 C ATOM 168 OH TYR A 14 -4.598 8.692 6.665 1.00 0.00 O ATOM 0 HA TYR A 14 -3.390 4.262 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.394 6.090 1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.894 4.737 2.201 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.971 6.975 2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.906 5.867 4.010 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.764 8.371 4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.702 7.270 6.015 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.424 8.642 7.190 1.00 0.00 H new ATOM 178 N ILE A 15 -4.694 2.528 1.296 1.00 0.00 N ATOM 179 CA ILE A 15 -5.090 1.326 0.610 1.00 0.00 C ATOM 180 C ILE A 15 -6.467 0.923 1.126 1.00 0.00 C ATOM 181 O ILE A 15 -6.905 1.402 2.176 1.00 0.00 O ATOM 182 CB ILE A 15 -4.098 0.178 0.896 1.00 0.00 C ATOM 183 CG1 ILE A 15 -4.264 -0.307 2.327 1.00 0.00 C ATOM 184 CG2 ILE A 15 -2.674 0.619 0.637 1.00 0.00 C ATOM 185 CD1 ILE A 15 -3.300 -1.394 2.726 1.00 0.00 C ATOM 0 H ILE A 15 -4.854 2.489 2.303 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.106 1.512 -0.464 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.317 -0.649 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.140 0.539 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.282 -0.673 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.994 -0.207 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.570 0.920 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.431 1.462 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.485 -1.683 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.438 -2.259 2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.278 -1.027 2.629 1.00 0.00 H new ATOM 197 N LYS A 16 -7.147 0.081 0.408 1.00 0.00 N ATOM 198 CA LYS A 16 -8.463 -0.367 0.841 1.00 0.00 C ATOM 199 C LYS A 16 -8.401 -1.737 1.493 1.00 0.00 C ATOM 200 O LYS A 16 -7.543 -2.550 1.177 1.00 0.00 O ATOM 201 CB LYS A 16 -9.452 -0.394 -0.310 1.00 0.00 C ATOM 202 CG LYS A 16 -10.066 0.962 -0.647 1.00 0.00 C ATOM 203 CD LYS A 16 -9.309 1.661 -1.754 1.00 0.00 C ATOM 204 CE LYS A 16 -9.608 1.033 -3.105 1.00 0.00 C ATOM 205 NZ LYS A 16 -8.795 1.639 -4.181 1.00 0.00 N ATOM 0 H LYS A 16 -6.827 -0.315 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.809 0.356 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.949 -0.781 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.254 -1.092 -0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.105 0.826 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.071 1.591 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.579 2.717 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.239 1.610 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.412 -0.038 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.666 1.154 -3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.422 2.090 -4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.158 2.353 -3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.233 0.900 -4.649 1.00 0.00 H new ATOM 219 N ILE A 17 -9.278 -1.954 2.426 1.00 0.00 N ATOM 220 CA ILE A 17 -9.413 -3.225 3.092 1.00 0.00 C ATOM 221 C ILE A 17 -10.836 -3.737 2.991 1.00 0.00 C ATOM 222 O ILE A 17 -11.788 -2.987 3.239 1.00 0.00 O ATOM 223 CB ILE A 17 -9.047 -3.129 4.587 1.00 0.00 C ATOM 224 CG1 ILE A 17 -7.557 -2.928 4.796 1.00 0.00 C ATOM 225 CG2 ILE A 17 -9.536 -4.338 5.344 1.00 0.00 C ATOM 226 CD1 ILE A 17 -7.195 -2.712 6.250 1.00 0.00 C ATOM 0 H ILE A 17 -9.933 -1.245 2.755 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.726 -3.910 2.594 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.552 -2.249 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.021 -3.798 4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.225 -2.070 4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.264 -4.244 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.620 -4.409 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.078 -5.236 4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.118 -2.574 6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.707 -1.826 6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.500 -3.581 6.834 1.00 0.00 H new ATOM 238 N LYS A 18 -11.001 -4.996 2.611 1.00 0.00 N ATOM 239 CA LYS A 18 -12.317 -5.582 2.646 1.00 0.00 C ATOM 240 C LYS A 18 -12.406 -6.450 3.886 1.00 0.00 C ATOM 241 O LYS A 18 -11.857 -7.553 3.921 1.00 0.00 O ATOM 242 CB LYS A 18 -12.603 -6.452 1.416 1.00 0.00 C ATOM 243 CG LYS A 18 -12.007 -5.950 0.104 1.00 0.00 C ATOM 244 CD LYS A 18 -12.529 -6.760 -1.073 1.00 0.00 C ATOM 245 CE LYS A 18 -12.137 -8.225 -0.962 1.00 0.00 C ATOM 246 NZ LYS A 18 -12.622 -9.022 -2.115 1.00 0.00 N ATOM 0 H LYS A 18 -10.256 -5.611 2.284 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.051 -4.776 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.224 -7.456 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.683 -6.537 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.256 -4.898 -0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.920 -6.018 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.615 -6.676 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.136 -6.347 -2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.052 -8.305 -0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.543 -8.639 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.332 -10.014 -1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.659 -8.968 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.215 -8.644 -2.994 1.00 0.00 H new ATOM 260 N VAL A 19 -13.066 -5.950 4.899 1.00 0.00 N ATOM 261 CA VAL A 19 -13.249 -6.683 6.123 1.00 0.00 C ATOM 262 C VAL A 19 -14.419 -7.628 5.982 1.00 0.00 C ATOM 263 O VAL A 19 -15.540 -7.194 5.771 1.00 0.00 O ATOM 264 CB VAL A 19 -13.525 -5.719 7.303 1.00 0.00 C ATOM 265 CG1 VAL A 19 -13.826 -6.487 8.569 1.00 0.00 C ATOM 266 CG2 VAL A 19 -12.351 -4.778 7.520 1.00 0.00 C ATOM 0 H VAL A 19 -13.491 -5.023 4.897 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.336 -7.243 6.325 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.401 -5.122 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -14.016 -5.787 9.383 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.706 -7.112 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.974 -7.117 8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.569 -4.111 8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.456 -5.358 7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.185 -4.189 6.618 1.00 0.00 H new ATOM 276 N VAL A 20 -14.155 -8.910 6.091 1.00 0.00 N ATOM 277 CA VAL A 20 -15.193 -9.906 5.999 1.00 0.00 C ATOM 278 C VAL A 20 -15.466 -10.477 7.377 1.00 0.00 C ATOM 279 O VAL A 20 -14.602 -11.118 7.985 1.00 0.00 O ATOM 280 CB VAL A 20 -14.797 -11.052 5.035 1.00 0.00 C ATOM 281 CG1 VAL A 20 -15.907 -12.090 4.940 1.00 0.00 C ATOM 282 CG2 VAL A 20 -14.455 -10.502 3.656 1.00 0.00 C ATOM 0 H VAL A 20 -13.220 -9.288 6.245 1.00 0.00 H new ATOM 0 HA VAL A 20 -16.089 -9.427 5.605 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.910 -11.541 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.605 -12.884 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -16.096 -12.512 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -16.816 -11.618 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.180 -11.324 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -15.321 -9.981 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.619 -9.807 3.738 1.00 0.00 H new ATOM 292 N GLY A 21 -16.657 -10.231 7.872 1.00 0.00 N ATOM 293 CA GLY A 21 -17.021 -10.713 9.186 1.00 0.00 C ATOM 294 C GLY A 21 -17.623 -12.097 9.150 1.00 0.00 C ATOM 295 O GLY A 21 -17.935 -12.615 8.081 1.00 0.00 O ATOM 0 H GLY A 21 -17.386 -9.704 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.137 -10.722 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.733 -10.023 9.638 1.00 0.00 H new ATOM 299 N GLN A 22 -17.823 -12.683 10.325 1.00 0.00 N ATOM 300 CA GLN A 22 -18.412 -14.019 10.435 1.00 0.00 C ATOM 301 C GLN A 22 -19.892 -13.973 10.149 1.00 0.00 C ATOM 302 O GLN A 22 -20.548 -14.997 9.972 1.00 0.00 O ATOM 303 CB GLN A 22 -18.152 -14.615 11.802 1.00 0.00 C ATOM 304 CG GLN A 22 -16.685 -14.886 12.078 1.00 0.00 C ATOM 305 CD GLN A 22 -16.081 -15.887 11.104 1.00 0.00 C ATOM 306 OE1 GLN A 22 -16.745 -16.826 10.663 1.00 0.00 O ATOM 307 NE2 GLN A 22 -14.833 -15.672 10.740 1.00 0.00 N ATOM 0 H GLN A 22 -17.586 -12.255 11.220 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.937 -14.659 9.691 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -18.537 -13.937 12.564 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -18.709 -15.548 11.894 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -16.130 -13.950 12.022 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.574 -15.262 13.095 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.317 -14.883 11.129 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.383 -16.295 10.069 1.00 0.00 H new ATOM 316 N ASP A 23 -20.396 -12.779 10.106 1.00 0.00 N ATOM 317 CA ASP A 23 -21.768 -12.512 9.726 1.00 0.00 C ATOM 318 C ASP A 23 -21.856 -12.458 8.213 1.00 0.00 C ATOM 319 O ASP A 23 -22.886 -12.094 7.654 1.00 0.00 O ATOM 320 CB ASP A 23 -22.227 -11.168 10.301 1.00 0.00 C ATOM 321 CG ASP A 23 -22.249 -11.133 11.810 1.00 0.00 C ATOM 322 OD1 ASP A 23 -23.243 -11.592 12.401 1.00 0.00 O ATOM 323 OD2 ASP A 23 -21.276 -10.637 12.410 1.00 0.00 O ATOM 0 H ASP A 23 -19.864 -11.940 10.336 1.00 0.00 H new ATOM 0 HA ASP A 23 -22.408 -13.303 10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -21.566 -10.382 9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -23.226 -10.944 9.926 1.00 0.00 H new ATOM 328 N SER A 24 -20.733 -12.807 7.557 1.00 0.00 N ATOM 329 CA SER A 24 -20.605 -12.739 6.103 1.00 0.00 C ATOM 330 C SER A 24 -20.685 -11.290 5.668 1.00 0.00 C ATOM 331 O SER A 24 -21.065 -10.973 4.544 1.00 0.00 O ATOM 332 CB SER A 24 -21.696 -13.569 5.418 1.00 0.00 C ATOM 333 OG SER A 24 -21.628 -14.932 5.814 1.00 0.00 O ATOM 0 H SER A 24 -19.893 -13.143 8.028 1.00 0.00 H new ATOM 0 HA SER A 24 -19.642 -13.155 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 24 -22.676 -13.163 5.668 1.00 0.00 H new ATOM 0 HB3 SER A 24 -21.587 -13.496 4.336 1.00 0.00 H new ATOM 0 HG SER A 24 -22.336 -15.439 5.364 1.00 0.00 H new ATOM 339 N ASN A 25 -20.283 -10.421 6.568 1.00 0.00 N ATOM 340 CA ASN A 25 -20.352 -8.996 6.338 1.00 0.00 C ATOM 341 C ASN A 25 -19.031 -8.443 5.860 1.00 0.00 C ATOM 342 O ASN A 25 -18.087 -8.329 6.629 1.00 0.00 O ATOM 343 CB ASN A 25 -20.800 -8.274 7.608 1.00 0.00 C ATOM 344 CG ASN A 25 -20.937 -6.770 7.426 1.00 0.00 C ATOM 345 OD1 ASN A 25 -21.222 -6.283 6.329 1.00 0.00 O ATOM 346 ND2 ASN A 25 -20.739 -6.028 8.501 1.00 0.00 N ATOM 0 H ASN A 25 -19.900 -10.681 7.477 1.00 0.00 H new ATOM 0 HA ASN A 25 -21.087 -8.824 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.757 -8.683 7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.082 -8.473 8.404 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.820 -5.013 8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.505 -6.470 9.390 1.00 0.00 H new ATOM 353 N GLU A 26 -18.968 -8.129 4.589 1.00 0.00 N ATOM 354 CA GLU A 26 -17.788 -7.512 4.013 1.00 0.00 C ATOM 355 C GLU A 26 -17.989 -6.011 3.920 1.00 0.00 C ATOM 356 O GLU A 26 -19.013 -5.539 3.417 1.00 0.00 O ATOM 357 CB GLU A 26 -17.459 -8.087 2.633 1.00 0.00 C ATOM 358 CG GLU A 26 -16.284 -7.391 1.949 1.00 0.00 C ATOM 359 CD GLU A 26 -16.012 -7.906 0.553 1.00 0.00 C ATOM 360 OE1 GLU A 26 -16.713 -7.472 -0.391 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.095 -8.729 0.382 1.00 0.00 O ATOM 0 H GLU A 26 -19.725 -8.291 3.925 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.943 -7.730 4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.233 -9.149 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.340 -8.008 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.483 -6.320 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.389 -7.522 2.558 1.00 0.00 H new ATOM 368 N VAL A 27 -17.024 -5.273 4.414 1.00 0.00 N ATOM 369 CA VAL A 27 -17.091 -3.830 4.424 1.00 0.00 C ATOM 370 C VAL A 27 -15.743 -3.220 4.076 1.00 0.00 C ATOM 371 O VAL A 27 -14.691 -3.730 4.469 1.00 0.00 O ATOM 372 CB VAL A 27 -17.593 -3.309 5.797 1.00 0.00 C ATOM 373 CG1 VAL A 27 -16.727 -3.844 6.917 1.00 0.00 C ATOM 374 CG2 VAL A 27 -17.633 -1.785 5.834 1.00 0.00 C ATOM 0 H VAL A 27 -16.170 -5.655 4.820 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.807 -3.522 3.662 1.00 0.00 H new ATOM 0 HB VAL A 27 -18.611 -3.672 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -17.094 -3.468 7.872 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -16.764 -4.933 6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.698 -3.516 6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -17.989 -1.454 6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.632 -1.390 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -18.307 -1.420 5.059 1.00 0.00 H new ATOM 384 N HIS A 28 -15.784 -2.141 3.324 1.00 0.00 N ATOM 385 CA HIS A 28 -14.587 -1.462 2.897 1.00 0.00 C ATOM 386 C HIS A 28 -14.128 -0.417 3.880 1.00 0.00 C ATOM 387 O HIS A 28 -14.829 0.555 4.160 1.00 0.00 O ATOM 388 CB HIS A 28 -14.777 -0.808 1.535 1.00 0.00 C ATOM 389 CG HIS A 28 -14.649 -1.732 0.375 1.00 0.00 C ATOM 390 ND1 HIS A 28 -14.899 -1.342 -0.917 1.00 0.00 N ATOM 391 CD2 HIS A 28 -14.225 -3.011 0.303 1.00 0.00 C ATOM 392 CE1 HIS A 28 -14.631 -2.339 -1.735 1.00 0.00 C ATOM 393 NE2 HIS A 28 -14.214 -3.366 -1.024 1.00 0.00 N ATOM 0 H HIS A 28 -16.649 -1.713 2.994 1.00 0.00 H new ATOM 0 HA HIS A 28 -13.818 -2.232 2.833 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -15.763 -0.344 1.505 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -14.045 -0.008 1.427 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.946 -3.640 1.135 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.736 -2.318 -2.810 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -13.931 -4.272 -1.396 1.00 0.00 H new ATOM 401 N PHE A 29 -12.964 -0.639 4.414 1.00 0.00 N ATOM 402 CA PHE A 29 -12.286 0.341 5.217 1.00 0.00 C ATOM 403 C PHE A 29 -11.046 0.779 4.496 1.00 0.00 C ATOM 404 O PHE A 29 -10.340 -0.039 3.923 1.00 0.00 O ATOM 405 CB PHE A 29 -11.907 -0.204 6.586 1.00 0.00 C ATOM 406 CG PHE A 29 -13.056 -0.381 7.531 1.00 0.00 C ATOM 407 CD1 PHE A 29 -13.726 -1.582 7.625 1.00 0.00 C ATOM 408 CD2 PHE A 29 -13.457 0.669 8.337 1.00 0.00 C ATOM 409 CE1 PHE A 29 -14.771 -1.734 8.503 1.00 0.00 C ATOM 410 CE2 PHE A 29 -14.505 0.521 9.217 1.00 0.00 C ATOM 411 CZ PHE A 29 -15.163 -0.683 9.300 1.00 0.00 C ATOM 0 H PHE A 29 -12.451 -1.514 4.305 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.964 1.180 5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.411 -1.166 6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.181 0.469 7.041 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.426 -2.412 7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.942 1.616 8.275 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -15.286 -2.681 8.568 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -14.809 1.349 9.841 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.986 -0.804 9.989 1.00 0.00 H new ATOM 421 N ARG A 30 -10.789 2.047 4.495 1.00 0.00 N ATOM 422 CA ARG A 30 -9.607 2.549 3.855 1.00 0.00 C ATOM 423 C ARG A 30 -8.595 2.923 4.902 1.00 0.00 C ATOM 424 O ARG A 30 -8.884 3.698 5.822 1.00 0.00 O ATOM 425 CB ARG A 30 -9.920 3.723 2.945 1.00 0.00 C ATOM 426 CG ARG A 30 -8.731 4.178 2.120 1.00 0.00 C ATOM 427 CD ARG A 30 -9.117 5.296 1.192 1.00 0.00 C ATOM 428 NE ARG A 30 -8.015 5.703 0.319 1.00 0.00 N ATOM 429 CZ ARG A 30 -7.971 5.479 -0.998 1.00 0.00 C ATOM 430 NH1 ARG A 30 -8.997 4.898 -1.618 1.00 0.00 N ATOM 431 NH2 ARG A 30 -6.912 5.856 -1.698 1.00 0.00 N ATOM 0 H ARG A 30 -11.379 2.757 4.929 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.191 1.765 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.734 3.447 2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.274 4.558 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.930 4.509 2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.342 3.339 1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.963 4.982 0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.448 6.153 1.778 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.227 6.191 0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.823 4.621 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.957 4.730 -2.623 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.130 6.317 -1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.878 5.685 -2.703 1.00 0.00 H new ATOM 445 N VAL A 31 -7.426 2.370 4.766 1.00 0.00 N ATOM 446 CA VAL A 31 -6.370 2.536 5.745 1.00 0.00 C ATOM 447 C VAL A 31 -5.056 2.827 5.053 1.00 0.00 C ATOM 448 O VAL A 31 -4.996 2.901 3.844 1.00 0.00 O ATOM 449 CB VAL A 31 -6.192 1.270 6.607 1.00 0.00 C ATOM 450 CG1 VAL A 31 -7.489 0.893 7.316 1.00 0.00 C ATOM 451 CG2 VAL A 31 -5.674 0.121 5.761 1.00 0.00 C ATOM 0 H VAL A 31 -7.168 1.786 3.971 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.656 3.369 6.388 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.453 1.487 7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.329 -0.003 7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.800 1.712 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.266 0.701 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.554 -0.765 6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.384 -0.091 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.711 0.393 5.328 1.00 0.00 H new ATOM 461 N LYS A 32 -4.026 2.992 5.824 1.00 0.00 N ATOM 462 CA LYS A 32 -2.705 3.243 5.308 1.00 0.00 C ATOM 463 C LYS A 32 -1.995 1.909 5.087 1.00 0.00 C ATOM 464 O LYS A 32 -2.361 0.909 5.701 1.00 0.00 O ATOM 465 CB LYS A 32 -1.915 4.070 6.320 1.00 0.00 C ATOM 466 CG LYS A 32 -0.702 4.777 5.743 1.00 0.00 C ATOM 467 CD LYS A 32 0.164 5.370 6.840 1.00 0.00 C ATOM 468 CE LYS A 32 -0.577 6.429 7.642 1.00 0.00 C ATOM 469 NZ LYS A 32 0.276 7.000 8.711 1.00 0.00 N ATOM 0 H LYS A 32 -4.074 2.957 6.842 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.775 3.787 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.579 4.814 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.589 3.416 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.115 4.073 5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.027 5.567 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.496 4.576 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.058 5.810 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.908 7.225 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.472 5.991 8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.261 7.718 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.571 6.244 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.117 7.439 8.286 1.00 0.00 H new ATOM 483 N TYR A 33 -0.997 1.889 4.212 1.00 0.00 N ATOM 484 CA TYR A 33 -0.166 0.688 4.032 1.00 0.00 C ATOM 485 C TYR A 33 0.395 0.253 5.392 1.00 0.00 C ATOM 486 O TYR A 33 0.451 -0.929 5.705 1.00 0.00 O ATOM 487 CB TYR A 33 1.036 0.999 3.129 1.00 0.00 C ATOM 488 CG TYR A 33 0.716 1.400 1.712 1.00 0.00 C ATOM 489 CD1 TYR A 33 0.403 2.714 1.402 1.00 0.00 C ATOM 490 CD2 TYR A 33 0.763 0.475 0.678 1.00 0.00 C ATOM 491 CE1 TYR A 33 0.142 3.097 0.108 1.00 0.00 C ATOM 492 CE2 TYR A 33 0.498 0.851 -0.625 1.00 0.00 C ATOM 493 CZ TYR A 33 0.189 2.167 -0.902 1.00 0.00 C ATOM 494 OH TYR A 33 -0.068 2.555 -2.195 1.00 0.00 O ATOM 0 H TYR A 33 -0.739 2.677 3.618 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.785 -0.091 3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.613 1.801 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.679 0.120 3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.363 3.450 2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.010 -0.554 0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.099 4.126 -0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.532 0.121 -1.420 1.00 0.00 H new ATOM 0 HH TYR A 33 0.007 1.780 -2.790 1.00 0.00 H new ATOM 504 N GLY A 34 0.788 1.238 6.194 1.00 0.00 N ATOM 505 CA GLY A 34 1.356 0.971 7.498 1.00 0.00 C ATOM 506 C GLY A 34 0.362 1.200 8.617 1.00 0.00 C ATOM 507 O GLY A 34 0.733 1.658 9.700 1.00 0.00 O ATOM 0 H GLY A 34 0.721 2.228 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.709 -0.060 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.225 1.611 7.651 1.00 0.00 H new ATOM 511 N THR A 35 -0.900 0.927 8.346 1.00 0.00 N ATOM 512 CA THR A 35 -1.940 1.086 9.325 1.00 0.00 C ATOM 513 C THR A 35 -1.798 0.096 10.487 1.00 0.00 C ATOM 514 O THR A 35 -1.473 -1.075 10.300 1.00 0.00 O ATOM 515 CB THR A 35 -3.338 0.976 8.668 1.00 0.00 C ATOM 516 OG1 THR A 35 -3.880 2.288 8.439 1.00 0.00 O ATOM 517 CG2 THR A 35 -4.302 0.138 9.490 1.00 0.00 C ATOM 0 H THR A 35 -1.225 0.590 7.440 1.00 0.00 H new ATOM 0 HA THR A 35 -1.835 2.086 9.745 1.00 0.00 H new ATOM 0 HB THR A 35 -3.209 0.465 7.714 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.633 2.442 9.047 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.267 0.093 8.985 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.903 -0.870 9.602 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.428 0.589 10.474 1.00 0.00 H new ATOM 525 N SER A 36 -2.031 0.598 11.680 1.00 0.00 N ATOM 526 CA SER A 36 -1.964 -0.193 12.878 1.00 0.00 C ATOM 527 C SER A 36 -3.275 -0.942 13.080 1.00 0.00 C ATOM 528 O SER A 36 -4.328 -0.467 12.656 1.00 0.00 O ATOM 529 CB SER A 36 -1.689 0.718 14.065 1.00 0.00 C ATOM 530 OG SER A 36 -0.444 1.374 13.917 1.00 0.00 O ATOM 0 H SER A 36 -2.274 1.575 11.842 1.00 0.00 H new ATOM 0 HA SER A 36 -1.158 -0.922 12.790 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.486 1.456 14.155 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.690 0.134 14.985 1.00 0.00 H new ATOM 0 HG SER A 36 -0.287 1.956 14.690 1.00 0.00 H new ATOM 536 N MET A 37 -3.216 -2.099 13.747 1.00 0.00 N ATOM 537 CA MET A 37 -4.417 -2.914 13.991 1.00 0.00 C ATOM 538 C MET A 37 -5.511 -2.090 14.670 1.00 0.00 C ATOM 539 O MET A 37 -6.695 -2.311 14.448 1.00 0.00 O ATOM 540 CB MET A 37 -4.084 -4.135 14.866 1.00 0.00 C ATOM 541 CG MET A 37 -3.738 -3.795 16.317 1.00 0.00 C ATOM 542 SD MET A 37 -3.381 -5.250 17.318 1.00 0.00 S ATOM 543 CE MET A 37 -3.075 -4.499 18.918 1.00 0.00 C ATOM 0 H MET A 37 -2.356 -2.493 14.127 1.00 0.00 H new ATOM 0 HA MET A 37 -4.779 -3.256 13.022 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.935 -4.816 14.858 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.245 -4.669 14.420 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.874 -3.130 16.332 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.569 -3.249 16.764 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.228 -4.992 19.395 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.852 -3.440 18.786 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.959 -4.608 19.546 1.00 0.00 H new ATOM 553 N ALA A 38 -5.092 -1.119 15.460 1.00 0.00 N ATOM 554 CA ALA A 38 -6.001 -0.267 16.196 1.00 0.00 C ATOM 555 C ALA A 38 -6.916 0.515 15.269 1.00 0.00 C ATOM 556 O ALA A 38 -8.080 0.705 15.567 1.00 0.00 O ATOM 557 CB ALA A 38 -5.231 0.676 17.099 1.00 0.00 C ATOM 0 H ALA A 38 -4.107 -0.900 15.608 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.629 -0.912 16.811 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.930 1.309 17.645 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.637 0.098 17.807 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.571 1.300 16.496 1.00 0.00 H new ATOM 563 N LYS A 39 -6.385 0.941 14.130 1.00 0.00 N ATOM 564 CA LYS A 39 -7.138 1.772 13.192 1.00 0.00 C ATOM 565 C LYS A 39 -8.386 1.055 12.704 1.00 0.00 C ATOM 566 O LYS A 39 -9.446 1.656 12.579 1.00 0.00 O ATOM 567 CB LYS A 39 -6.267 2.127 11.988 1.00 0.00 C ATOM 568 CG LYS A 39 -5.043 2.958 12.330 1.00 0.00 C ATOM 569 CD LYS A 39 -5.435 4.305 12.896 1.00 0.00 C ATOM 570 CE LYS A 39 -4.220 5.148 13.218 1.00 0.00 C ATOM 571 NZ LYS A 39 -4.607 6.457 13.787 1.00 0.00 N ATOM 0 H LYS A 39 -5.434 0.726 13.831 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.435 2.680 13.717 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.943 1.206 11.503 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.872 2.672 11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.427 2.422 13.053 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.435 3.099 11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.065 4.832 12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.029 4.162 13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.583 4.616 13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.632 5.302 12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.752 7.011 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.194 6.973 13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.147 6.309 14.663 1.00 0.00 H new ATOM 585 N LEU A 40 -8.249 -0.223 12.435 1.00 0.00 N ATOM 586 CA LEU A 40 -9.364 -1.024 11.956 1.00 0.00 C ATOM 587 C LEU A 40 -10.191 -1.593 13.101 1.00 0.00 C ATOM 588 O LEU A 40 -11.417 -1.531 13.074 1.00 0.00 O ATOM 589 CB LEU A 40 -8.894 -2.150 11.016 1.00 0.00 C ATOM 590 CG LEU A 40 -7.644 -2.933 11.444 1.00 0.00 C ATOM 591 CD1 LEU A 40 -7.701 -4.349 10.904 1.00 0.00 C ATOM 592 CD2 LEU A 40 -6.396 -2.247 10.922 1.00 0.00 C ATOM 0 H LEU A 40 -7.374 -0.737 12.539 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.005 -0.353 11.385 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.714 -2.858 10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.703 -1.716 10.035 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.612 -2.965 12.533 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.809 -4.893 11.215 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.586 -4.851 11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.749 -4.322 9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.515 -2.810 11.231 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.434 -2.201 9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.341 -1.236 11.326 1.00 0.00 H new ATOM 604 N LYS A 41 -9.516 -2.138 14.110 1.00 0.00 N ATOM 605 CA LYS A 41 -10.195 -2.759 15.244 1.00 0.00 C ATOM 606 C LYS A 41 -11.040 -1.766 15.985 1.00 0.00 C ATOM 607 O LYS A 41 -12.195 -2.025 16.262 1.00 0.00 O ATOM 608 CB LYS A 41 -9.173 -3.361 16.197 1.00 0.00 C ATOM 609 CG LYS A 41 -8.470 -4.594 15.668 1.00 0.00 C ATOM 610 CD LYS A 41 -7.165 -4.826 16.402 1.00 0.00 C ATOM 611 CE LYS A 41 -7.365 -5.161 17.878 1.00 0.00 C ATOM 612 NZ LYS A 41 -7.944 -6.509 18.081 1.00 0.00 N ATOM 0 H LYS A 41 -8.498 -2.162 14.165 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.845 -3.543 14.854 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.424 -2.604 16.432 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.673 -3.616 17.132 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.117 -5.464 15.783 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.277 -4.479 14.601 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.623 -5.640 15.920 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.543 -3.935 16.318 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.407 -5.099 18.394 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.020 -4.416 18.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.997 -6.714 19.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.899 -6.542 17.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.343 -7.219 17.615 1.00 0.00 H new ATOM 626 N LYS A 42 -10.471 -0.618 16.269 1.00 0.00 N ATOM 627 CA LYS A 42 -11.196 0.432 16.954 1.00 0.00 C ATOM 628 C LYS A 42 -12.361 0.891 16.109 1.00 0.00 C ATOM 629 O LYS A 42 -13.457 1.102 16.607 1.00 0.00 O ATOM 630 CB LYS A 42 -10.274 1.615 17.279 1.00 0.00 C ATOM 631 CG LYS A 42 -10.961 2.761 18.009 1.00 0.00 C ATOM 632 CD LYS A 42 -9.974 3.853 18.407 1.00 0.00 C ATOM 633 CE LYS A 42 -9.370 4.545 17.192 1.00 0.00 C ATOM 634 NZ LYS A 42 -8.451 5.643 17.583 1.00 0.00 N ATOM 0 H LYS A 42 -9.506 -0.385 16.037 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.574 0.031 17.894 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.444 1.257 17.888 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.848 1.994 16.350 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.735 3.186 17.370 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.458 2.378 18.900 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.480 4.590 19.030 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.177 3.419 19.011 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.829 3.815 16.590 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.169 4.945 16.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.060 6.089 16.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.973 6.352 18.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.675 5.258 18.158 1.00 0.00 H new ATOM 648 N SER A 43 -12.109 1.026 14.825 1.00 0.00 N ATOM 649 CA SER A 43 -13.110 1.526 13.906 1.00 0.00 C ATOM 650 C SER A 43 -14.294 0.555 13.765 1.00 0.00 C ATOM 651 O SER A 43 -15.462 0.944 13.904 1.00 0.00 O ATOM 652 CB SER A 43 -12.467 1.783 12.539 1.00 0.00 C ATOM 653 OG SER A 43 -13.413 2.290 11.618 1.00 0.00 O ATOM 0 H SER A 43 -11.215 0.795 14.392 1.00 0.00 H new ATOM 0 HA SER A 43 -13.503 2.459 14.309 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.645 2.491 12.648 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.041 0.856 12.154 1.00 0.00 H new ATOM 0 HG SER A 43 -13.459 1.699 10.838 1.00 0.00 H new ATOM 659 N TYR A 44 -13.988 -0.700 13.500 1.00 0.00 N ATOM 660 CA TYR A 44 -15.004 -1.718 13.299 1.00 0.00 C ATOM 661 C TYR A 44 -15.717 -2.070 14.580 1.00 0.00 C ATOM 662 O TYR A 44 -16.940 -2.162 14.608 1.00 0.00 O ATOM 663 CB TYR A 44 -14.375 -2.948 12.713 1.00 0.00 C ATOM 664 CG TYR A 44 -15.355 -4.014 12.287 1.00 0.00 C ATOM 665 CD1 TYR A 44 -15.827 -4.063 10.987 1.00 0.00 C ATOM 666 CD2 TYR A 44 -15.799 -4.971 13.185 1.00 0.00 C ATOM 667 CE1 TYR A 44 -16.718 -5.038 10.587 1.00 0.00 C ATOM 668 CE2 TYR A 44 -16.691 -5.951 12.798 1.00 0.00 C ATOM 669 CZ TYR A 44 -17.148 -5.981 11.494 1.00 0.00 C ATOM 670 OH TYR A 44 -18.030 -6.959 11.094 1.00 0.00 O ATOM 0 H TYR A 44 -13.031 -1.043 13.418 1.00 0.00 H new ATOM 0 HA TYR A 44 -15.747 -1.313 12.612 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -13.776 -2.658 11.850 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.691 -3.375 13.446 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -15.492 -3.325 10.273 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -15.442 -4.950 14.204 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -17.076 -5.061 9.568 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -17.030 -6.689 13.510 1.00 0.00 H new ATOM 0 HH TYR A 44 -18.233 -7.546 11.852 1.00 0.00 H new ATOM 680 N ALA A 45 -14.956 -2.259 15.638 1.00 0.00 N ATOM 681 CA ALA A 45 -15.528 -2.622 16.925 1.00 0.00 C ATOM 682 C ALA A 45 -16.501 -1.557 17.370 1.00 0.00 C ATOM 683 O ALA A 45 -17.535 -1.844 17.967 1.00 0.00 O ATOM 684 CB ALA A 45 -14.441 -2.816 17.966 1.00 0.00 C ATOM 0 H ALA A 45 -13.940 -2.168 15.636 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.059 -3.567 16.815 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.894 -3.087 18.919 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.768 -3.611 17.645 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.879 -1.889 18.082 1.00 0.00 H new ATOM 690 N ASP A 46 -16.167 -0.331 17.051 1.00 0.00 N ATOM 691 CA ASP A 46 -16.989 0.820 17.417 1.00 0.00 C ATOM 692 C ASP A 46 -18.348 0.776 16.733 1.00 0.00 C ATOM 693 O ASP A 46 -19.383 0.956 17.373 1.00 0.00 O ATOM 694 CB ASP A 46 -16.266 2.113 17.056 1.00 0.00 C ATOM 695 CG ASP A 46 -17.076 3.349 17.361 1.00 0.00 C ATOM 696 OD1 ASP A 46 -17.298 3.644 18.558 1.00 0.00 O ATOM 697 OD2 ASP A 46 -17.476 4.047 16.399 1.00 0.00 O ATOM 0 H ASP A 46 -15.322 -0.092 16.532 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.154 0.784 18.494 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.324 2.160 17.602 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.019 2.100 15.994 1.00 0.00 H new ATOM 702 N ARG A 47 -18.337 0.512 15.437 1.00 0.00 N ATOM 703 CA ARG A 47 -19.562 0.488 14.644 1.00 0.00 C ATOM 704 C ARG A 47 -20.429 -0.732 14.978 1.00 0.00 C ATOM 705 O ARG A 47 -21.635 -0.733 14.732 1.00 0.00 O ATOM 706 CB ARG A 47 -19.227 0.516 13.144 1.00 0.00 C ATOM 707 CG ARG A 47 -18.629 -0.769 12.613 1.00 0.00 C ATOM 708 CD ARG A 47 -18.239 -0.640 11.154 1.00 0.00 C ATOM 709 NE ARG A 47 -19.385 -0.368 10.283 1.00 0.00 N ATOM 710 CZ ARG A 47 -19.291 0.195 9.068 1.00 0.00 C ATOM 711 NH1 ARG A 47 -18.129 0.681 8.645 1.00 0.00 N ATOM 712 NH2 ARG A 47 -20.367 0.306 8.301 1.00 0.00 N ATOM 0 H ARG A 47 -17.490 0.310 14.906 1.00 0.00 H new ATOM 0 HA ARG A 47 -20.138 1.379 14.895 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.136 0.738 12.585 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.530 1.332 12.955 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.752 -1.034 13.203 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.348 -1.581 12.728 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -17.509 0.162 11.047 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.752 -1.560 10.830 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.313 -0.622 10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.305 0.627 9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.061 1.108 7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.268 -0.037 8.634 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.293 0.734 7.378 1.00 0.00 H new ATOM 726 N THR A 48 -19.810 -1.765 15.532 1.00 0.00 N ATOM 727 CA THR A 48 -20.531 -2.984 15.865 1.00 0.00 C ATOM 728 C THR A 48 -20.863 -3.058 17.374 1.00 0.00 C ATOM 729 O THR A 48 -21.524 -3.991 17.830 1.00 0.00 O ATOM 730 CB THR A 48 -19.753 -4.251 15.394 1.00 0.00 C ATOM 731 OG1 THR A 48 -20.540 -5.433 15.589 1.00 0.00 O ATOM 732 CG2 THR A 48 -18.436 -4.393 16.128 1.00 0.00 C ATOM 0 H THR A 48 -18.816 -1.783 15.759 1.00 0.00 H new ATOM 0 HA THR A 48 -21.478 -2.957 15.325 1.00 0.00 H new ATOM 0 HB THR A 48 -19.548 -4.129 14.331 1.00 0.00 H new ATOM 0 HG1 THR A 48 -21.126 -5.312 16.365 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.918 -5.286 15.777 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.817 -3.516 15.938 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.623 -4.480 17.198 1.00 0.00 H new ATOM 740 N GLY A 49 -20.407 -2.060 18.134 1.00 0.00 N ATOM 741 CA GLY A 49 -20.696 -2.017 19.566 1.00 0.00 C ATOM 742 C GLY A 49 -19.968 -3.096 20.352 1.00 0.00 C ATOM 743 O GLY A 49 -20.512 -3.670 21.301 1.00 0.00 O ATOM 0 H GLY A 49 -19.845 -1.283 17.787 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.417 -1.039 19.958 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.770 -2.127 19.718 1.00 0.00 H new ATOM 747 N VAL A 50 -18.750 -3.374 19.949 1.00 0.00 N ATOM 748 CA VAL A 50 -17.934 -4.407 20.563 1.00 0.00 C ATOM 749 C VAL A 50 -16.616 -3.825 21.076 1.00 0.00 C ATOM 750 O VAL A 50 -16.118 -2.843 20.532 1.00 0.00 O ATOM 751 CB VAL A 50 -17.639 -5.548 19.552 1.00 0.00 C ATOM 752 CG1 VAL A 50 -16.692 -6.584 20.145 1.00 0.00 C ATOM 753 CG2 VAL A 50 -18.934 -6.211 19.114 1.00 0.00 C ATOM 0 H VAL A 50 -18.290 -2.888 19.179 1.00 0.00 H new ATOM 0 HA VAL A 50 -18.493 -4.814 21.405 1.00 0.00 H new ATOM 0 HB VAL A 50 -17.152 -5.107 18.682 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -16.506 -7.369 19.412 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.750 -6.105 20.411 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.142 -7.020 21.037 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -18.713 -7.009 18.405 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.441 -6.628 19.984 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -19.578 -5.472 18.638 1.00 0.00 H new ATOM 763 N ALA A 51 -16.099 -4.393 22.170 1.00 0.00 N ATOM 764 CA ALA A 51 -14.798 -3.997 22.700 1.00 0.00 C ATOM 765 C ALA A 51 -13.740 -4.117 21.608 1.00 0.00 C ATOM 766 O ALA A 51 -13.683 -5.119 20.891 1.00 0.00 O ATOM 767 CB ALA A 51 -14.435 -4.879 23.888 1.00 0.00 C ATOM 0 H ALA A 51 -16.564 -5.128 22.703 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.843 -2.960 23.034 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.463 -4.579 24.280 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -15.190 -4.769 24.667 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -14.392 -5.920 23.568 1.00 0.00 H new ATOM 773 N VAL A 52 -12.900 -3.099 21.506 1.00 0.00 N ATOM 774 CA VAL A 52 -11.893 -3.011 20.452 1.00 0.00 C ATOM 775 C VAL A 52 -10.913 -4.175 20.524 1.00 0.00 C ATOM 776 O VAL A 52 -10.603 -4.813 19.509 1.00 0.00 O ATOM 777 CB VAL A 52 -11.113 -1.677 20.558 1.00 0.00 C ATOM 778 CG1 VAL A 52 -9.943 -1.635 19.585 1.00 0.00 C ATOM 779 CG2 VAL A 52 -12.049 -0.494 20.345 1.00 0.00 C ATOM 0 H VAL A 52 -12.895 -2.308 22.150 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.415 -3.053 19.496 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.698 -1.609 21.564 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.419 -0.685 19.687 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.257 -2.453 19.805 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.314 -1.737 18.565 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.485 0.435 20.423 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.502 -0.562 19.356 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.831 -0.508 21.104 1.00 0.00 H new ATOM 789 N ASN A 53 -10.447 -4.460 21.717 1.00 0.00 N ATOM 790 CA ASN A 53 -9.479 -5.529 21.918 1.00 0.00 C ATOM 791 C ASN A 53 -10.116 -6.892 21.735 1.00 0.00 C ATOM 792 O ASN A 53 -9.455 -7.850 21.332 1.00 0.00 O ATOM 793 CB ASN A 53 -8.803 -5.418 23.288 1.00 0.00 C ATOM 794 CG ASN A 53 -7.848 -4.239 23.364 1.00 0.00 C ATOM 795 OD1 ASN A 53 -7.332 -3.777 22.347 1.00 0.00 O ATOM 796 ND2 ASN A 53 -7.597 -3.755 24.561 1.00 0.00 N ATOM 0 H ASN A 53 -10.719 -3.969 22.569 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.707 -5.418 21.156 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.566 -5.316 24.060 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.258 -6.338 23.498 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.955 -2.970 24.669 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.044 -4.165 25.381 1.00 0.00 H new ATOM 803 N SER A 54 -11.409 -6.970 21.998 1.00 0.00 N ATOM 804 CA SER A 54 -12.142 -8.217 21.893 1.00 0.00 C ATOM 805 C SER A 54 -12.564 -8.497 20.454 1.00 0.00 C ATOM 806 O SER A 54 -13.115 -9.554 20.161 1.00 0.00 O ATOM 807 CB SER A 54 -13.360 -8.182 22.788 1.00 0.00 C ATOM 808 OG SER A 54 -12.984 -7.980 24.136 1.00 0.00 O ATOM 0 H SER A 54 -11.977 -6.174 22.289 1.00 0.00 H new ATOM 0 HA SER A 54 -11.479 -9.021 22.214 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.029 -7.383 22.468 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.912 -9.117 22.696 1.00 0.00 H new ATOM 0 HG SER A 54 -13.445 -8.631 24.705 1.00 0.00 H new ATOM 814 N LEU A 55 -12.313 -7.550 19.569 1.00 0.00 N ATOM 815 CA LEU A 55 -12.619 -7.728 18.165 1.00 0.00 C ATOM 816 C LEU A 55 -11.350 -8.211 17.488 1.00 0.00 C ATOM 817 O LEU A 55 -10.317 -7.542 17.548 1.00 0.00 O ATOM 818 CB LEU A 55 -13.077 -6.394 17.546 1.00 0.00 C ATOM 819 CG LEU A 55 -14.009 -6.474 16.316 1.00 0.00 C ATOM 820 CD1 LEU A 55 -13.452 -7.383 15.239 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.403 -6.914 16.720 1.00 0.00 C ATOM 0 H LEU A 55 -11.897 -6.648 19.800 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.426 -8.449 18.034 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -13.586 -5.819 18.320 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.189 -5.830 17.262 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.071 -5.470 15.895 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.140 -7.409 14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.485 -7.005 14.908 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.331 -8.390 15.639 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.040 -6.962 15.837 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.353 -7.898 17.186 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.820 -6.198 17.428 1.00 0.00 H new ATOM 833 N ARG A 56 -11.415 -9.357 16.847 1.00 0.00 N ATOM 834 CA ARG A 56 -10.219 -9.949 16.284 1.00 0.00 C ATOM 835 C ARG A 56 -10.196 -9.866 14.775 1.00 0.00 C ATOM 836 O ARG A 56 -11.052 -10.439 14.095 1.00 0.00 O ATOM 837 CB ARG A 56 -10.054 -11.421 16.717 1.00 0.00 C ATOM 838 CG ARG A 56 -9.862 -11.634 18.217 1.00 0.00 C ATOM 839 CD ARG A 56 -11.186 -11.851 18.943 1.00 0.00 C ATOM 840 NE ARG A 56 -10.985 -12.043 20.384 1.00 0.00 N ATOM 841 CZ ARG A 56 -11.852 -12.653 21.205 1.00 0.00 C ATOM 842 NH1 ARG A 56 -12.968 -13.198 20.730 1.00 0.00 N ATOM 843 NH2 ARG A 56 -11.586 -12.734 22.503 1.00 0.00 N ATOM 0 H ARG A 56 -12.271 -9.893 16.703 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.384 -9.367 16.675 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.933 -11.979 16.395 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.198 -11.845 16.192 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.215 -12.496 18.380 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.354 -10.769 18.643 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.838 -10.993 18.777 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.692 -12.722 18.526 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.121 -11.686 20.792 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.172 -13.155 19.732 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.620 -13.659 21.364 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.724 -12.333 22.873 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.243 -13.197 23.130 1.00 0.00 H new ATOM 857 N PHE A 57 -9.213 -9.155 14.257 1.00 0.00 N ATOM 858 CA PHE A 57 -8.992 -9.093 12.837 1.00 0.00 C ATOM 859 C PHE A 57 -7.872 -10.014 12.463 1.00 0.00 C ATOM 860 O PHE A 57 -6.782 -9.971 13.051 1.00 0.00 O ATOM 861 CB PHE A 57 -8.679 -7.685 12.381 1.00 0.00 C ATOM 862 CG PHE A 57 -9.869 -6.794 12.311 1.00 0.00 C ATOM 863 CD1 PHE A 57 -10.421 -6.253 13.449 1.00 0.00 C ATOM 864 CD2 PHE A 57 -10.422 -6.481 11.090 1.00 0.00 C ATOM 865 CE1 PHE A 57 -11.509 -5.416 13.365 1.00 0.00 C ATOM 866 CE2 PHE A 57 -11.506 -5.651 11.000 1.00 0.00 C ATOM 867 CZ PHE A 57 -12.050 -5.117 12.136 1.00 0.00 C ATOM 0 H PHE A 57 -8.552 -8.609 14.810 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.909 -9.405 12.338 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.949 -7.247 13.062 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.211 -7.728 11.397 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.997 -6.487 14.414 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.994 -6.897 10.190 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.938 -4.994 14.262 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.931 -5.418 10.035 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.905 -4.460 12.068 1.00 0.00 H new ATOM 877 N LEU A 58 -8.133 -10.837 11.503 1.00 0.00 N ATOM 878 CA LEU A 58 -7.196 -11.818 11.069 1.00 0.00 C ATOM 879 C LEU A 58 -6.824 -11.619 9.644 1.00 0.00 C ATOM 880 O LEU A 58 -7.565 -11.029 8.857 1.00 0.00 O ATOM 881 CB LEU A 58 -7.773 -13.208 11.209 1.00 0.00 C ATOM 882 CG LEU A 58 -7.522 -13.945 12.515 1.00 0.00 C ATOM 883 CD1 LEU A 58 -6.089 -14.265 12.711 1.00 0.00 C ATOM 884 CD2 LEU A 58 -8.110 -13.224 13.719 1.00 0.00 C ATOM 0 H LEU A 58 -9.015 -10.847 10.991 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.312 -11.709 11.698 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.851 -13.141 11.063 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.379 -13.819 10.397 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.053 -14.893 12.432 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.960 -14.791 13.657 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.742 -14.898 11.894 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.509 -13.342 12.727 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.901 -13.795 14.623 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.663 -12.233 13.804 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.188 -13.126 13.593 1.00 0.00 H new ATOM 896 N PHE A 59 -5.686 -12.108 9.324 1.00 0.00 N ATOM 897 CA PHE A 59 -5.221 -12.116 7.970 1.00 0.00 C ATOM 898 C PHE A 59 -4.663 -13.476 7.641 1.00 0.00 C ATOM 899 O PHE A 59 -3.638 -13.868 8.167 1.00 0.00 O ATOM 900 CB PHE A 59 -4.166 -11.046 7.727 1.00 0.00 C ATOM 901 CG PHE A 59 -3.663 -11.061 6.312 1.00 0.00 C ATOM 902 CD1 PHE A 59 -4.512 -10.756 5.265 1.00 0.00 C ATOM 903 CD2 PHE A 59 -2.349 -11.384 6.032 1.00 0.00 C ATOM 904 CE1 PHE A 59 -4.062 -10.773 3.959 1.00 0.00 C ATOM 905 CE2 PHE A 59 -1.890 -11.404 4.730 1.00 0.00 C ATOM 906 CZ PHE A 59 -2.748 -11.097 3.692 1.00 0.00 C ATOM 0 H PHE A 59 -5.037 -12.521 9.994 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.067 -11.893 7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.586 -10.066 7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.331 -11.199 8.410 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.541 -10.501 5.471 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.674 -11.623 6.840 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.736 -10.534 3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.861 -11.659 4.523 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.391 -11.111 2.673 1.00 0.00 H new ATOM 916 N ASP A 60 -5.368 -14.201 6.798 1.00 0.00 N ATOM 917 CA ASP A 60 -4.956 -15.545 6.363 1.00 0.00 C ATOM 918 C ASP A 60 -4.662 -16.465 7.566 1.00 0.00 C ATOM 919 O ASP A 60 -3.843 -17.372 7.494 1.00 0.00 O ATOM 920 CB ASP A 60 -3.739 -15.455 5.437 1.00 0.00 C ATOM 921 CG ASP A 60 -3.457 -16.760 4.707 1.00 0.00 C ATOM 922 OD1 ASP A 60 -4.307 -17.192 3.903 1.00 0.00 O ATOM 923 OD2 ASP A 60 -2.384 -17.358 4.930 1.00 0.00 O ATOM 0 H ASP A 60 -6.247 -13.886 6.387 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.785 -15.987 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.902 -14.663 4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.863 -15.174 6.022 1.00 0.00 H new ATOM 928 N GLY A 61 -5.343 -16.220 8.658 1.00 0.00 N ATOM 929 CA GLY A 61 -5.202 -17.068 9.831 1.00 0.00 C ATOM 930 C GLY A 61 -4.187 -16.552 10.838 1.00 0.00 C ATOM 931 O GLY A 61 -3.905 -17.212 11.835 1.00 0.00 O ATOM 0 H GLY A 61 -5.999 -15.446 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.172 -17.161 10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.909 -18.068 9.512 1.00 0.00 H new ATOM 935 N ARG A 62 -3.646 -15.382 10.590 1.00 0.00 N ATOM 936 CA ARG A 62 -2.710 -14.767 11.517 1.00 0.00 C ATOM 937 C ARG A 62 -3.241 -13.419 11.912 1.00 0.00 C ATOM 938 O ARG A 62 -3.716 -12.653 11.073 1.00 0.00 O ATOM 939 CB ARG A 62 -1.298 -14.691 10.904 1.00 0.00 C ATOM 940 CG ARG A 62 -1.170 -13.827 9.655 1.00 0.00 C ATOM 941 CD ARG A 62 -0.881 -12.373 9.987 1.00 0.00 C ATOM 942 NE ARG A 62 0.534 -12.142 10.280 1.00 0.00 N ATOM 943 CZ ARG A 62 0.992 -11.063 10.905 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.147 -10.214 11.463 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.295 -10.855 11.013 1.00 0.00 N ATOM 0 H ARG A 62 -3.835 -14.831 9.753 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.615 -15.377 12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.613 -14.309 11.661 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.972 -15.702 10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.372 -14.219 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.092 -13.889 9.077 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.184 -11.744 9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.482 -12.072 10.845 1.00 0.00 H new ATOM 0 HE ARG A 62 1.207 -12.850 9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.857 -10.387 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.499 -9.386 11.943 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.953 -11.525 10.615 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.641 -10.025 11.494 1.00 0.00 H new ATOM 959 N ARG A 63 -3.210 -13.151 13.184 1.00 0.00 N ATOM 960 CA ARG A 63 -3.827 -11.964 13.715 1.00 0.00 C ATOM 961 C ARG A 63 -3.043 -10.724 13.370 1.00 0.00 C ATOM 962 O ARG A 63 -1.822 -10.752 13.274 1.00 0.00 O ATOM 963 CB ARG A 63 -4.051 -12.121 15.208 1.00 0.00 C ATOM 964 CG ARG A 63 -2.791 -12.280 16.018 1.00 0.00 C ATOM 965 CD ARG A 63 -3.114 -12.915 17.340 1.00 0.00 C ATOM 966 NE ARG A 63 -1.968 -12.958 18.241 1.00 0.00 N ATOM 967 CZ ARG A 63 -1.996 -13.490 19.464 1.00 0.00 C ATOM 968 NH1 ARG A 63 -3.114 -14.048 19.928 1.00 0.00 N ATOM 969 NH2 ARG A 63 -0.908 -13.459 20.222 1.00 0.00 N ATOM 0 H ARG A 63 -2.760 -13.743 13.882 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.802 -11.836 13.245 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.595 -11.250 15.574 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.688 -12.989 15.377 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.073 -12.895 15.475 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.324 -11.308 16.175 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.924 -12.362 17.816 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.477 -13.929 17.172 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.089 -12.556 17.915 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.952 -14.069 19.347 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.131 -14.454 20.864 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.053 -13.029 19.869 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.926 -13.865 21.158 1.00 0.00 H new ATOM 983 N ILE A 64 -3.757 -9.655 13.164 1.00 0.00 N ATOM 984 CA ILE A 64 -3.172 -8.402 12.754 1.00 0.00 C ATOM 985 C ILE A 64 -2.823 -7.559 13.967 1.00 0.00 C ATOM 986 O ILE A 64 -3.686 -7.253 14.792 1.00 0.00 O ATOM 987 CB ILE A 64 -4.165 -7.652 11.848 1.00 0.00 C ATOM 988 CG1 ILE A 64 -4.514 -8.539 10.655 1.00 0.00 C ATOM 989 CG2 ILE A 64 -3.580 -6.333 11.368 1.00 0.00 C ATOM 990 CD1 ILE A 64 -5.649 -8.024 9.816 1.00 0.00 C ATOM 0 H ILE A 64 -4.770 -9.624 13.276 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.254 -8.597 12.200 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.065 -7.426 12.419 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.631 -8.646 10.025 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.768 -9.535 11.019 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.303 -5.825 10.730 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.349 -5.703 12.227 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.668 -6.524 10.802 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.833 -8.712 8.991 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.547 -7.944 10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.392 -7.042 9.419 1.00 0.00 H new ATOM 1002 N ASN A 65 -1.553 -7.212 14.073 1.00 0.00 N ATOM 1003 CA ASN A 65 -1.041 -6.434 15.185 1.00 0.00 C ATOM 1004 C ASN A 65 -0.640 -5.052 14.703 1.00 0.00 C ATOM 1005 O ASN A 65 -0.382 -4.861 13.519 1.00 0.00 O ATOM 1006 CB ASN A 65 0.180 -7.135 15.787 1.00 0.00 C ATOM 1007 CG ASN A 65 -0.130 -8.521 16.307 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -0.600 -8.689 17.433 1.00 0.00 O ATOM 1009 ND2 ASN A 65 0.129 -9.524 15.490 1.00 0.00 N ATOM 0 H ASN A 65 -0.844 -7.464 13.385 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.819 -6.342 15.943 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.962 -7.203 15.031 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.576 -6.528 16.601 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.060 -10.482 15.783 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.518 -9.341 14.565 1.00 0.00 H new ATOM 1016 N ASP A 66 -0.589 -4.078 15.610 1.00 0.00 N ATOM 1017 CA ASP A 66 -0.170 -2.728 15.227 1.00 0.00 C ATOM 1018 C ASP A 66 1.324 -2.696 15.018 1.00 0.00 C ATOM 1019 O ASP A 66 1.870 -1.738 14.477 1.00 0.00 O ATOM 1020 CB ASP A 66 -0.579 -1.666 16.273 1.00 0.00 C ATOM 1021 CG ASP A 66 0.083 -1.838 17.624 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -0.467 -2.566 18.473 1.00 0.00 O ATOM 1023 OD2 ASP A 66 1.141 -1.224 17.854 1.00 0.00 O ATOM 0 H ASP A 66 -0.827 -4.192 16.595 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.681 -2.480 14.297 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.335 -0.677 15.885 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.661 -1.699 16.404 1.00 0.00 H new ATOM 1028 N ASP A 67 1.974 -3.759 15.444 1.00 0.00 N ATOM 1029 CA ASP A 67 3.406 -3.892 15.303 1.00 0.00 C ATOM 1030 C ASP A 67 3.773 -4.370 13.902 1.00 0.00 C ATOM 1031 O ASP A 67 4.902 -4.179 13.447 1.00 0.00 O ATOM 1032 CB ASP A 67 3.951 -4.858 16.355 1.00 0.00 C ATOM 1033 CG ASP A 67 5.460 -4.954 16.333 1.00 0.00 C ATOM 1034 OD1 ASP A 67 6.127 -3.944 16.648 1.00 0.00 O ATOM 1035 OD2 ASP A 67 5.986 -6.043 16.016 1.00 0.00 O ATOM 0 H ASP A 67 1.523 -4.554 15.897 1.00 0.00 H new ATOM 0 HA ASP A 67 3.858 -2.912 15.456 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.626 -4.533 17.343 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.526 -5.848 16.189 1.00 0.00 H new ATOM 1040 N ASP A 68 2.806 -4.974 13.211 1.00 0.00 N ATOM 1041 CA ASP A 68 3.035 -5.499 11.869 1.00 0.00 C ATOM 1042 C ASP A 68 3.293 -4.393 10.859 1.00 0.00 C ATOM 1043 O ASP A 68 2.790 -3.275 10.991 1.00 0.00 O ATOM 1044 CB ASP A 68 1.863 -6.360 11.399 1.00 0.00 C ATOM 1045 CG ASP A 68 1.753 -7.671 12.142 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.719 -8.456 12.118 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.686 -7.944 12.725 1.00 0.00 O ATOM 0 H ASP A 68 1.857 -5.111 13.560 1.00 0.00 H new ATOM 0 HA ASP A 68 3.929 -6.120 11.931 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.936 -5.800 11.524 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.973 -6.562 10.333 1.00 0.00 H new ATOM 1052 N THR A 69 4.084 -4.716 9.860 1.00 0.00 N ATOM 1053 CA THR A 69 4.416 -3.790 8.801 1.00 0.00 C ATOM 1054 C THR A 69 3.716 -4.215 7.508 1.00 0.00 C ATOM 1055 O THR A 69 3.329 -5.380 7.372 1.00 0.00 O ATOM 1056 CB THR A 69 5.943 -3.768 8.566 1.00 0.00 C ATOM 1057 OG1 THR A 69 6.398 -5.090 8.234 1.00 0.00 O ATOM 1058 CG2 THR A 69 6.676 -3.273 9.806 1.00 0.00 C ATOM 0 H THR A 69 4.517 -5.634 9.759 1.00 0.00 H new ATOM 0 HA THR A 69 4.084 -2.793 9.092 1.00 0.00 H new ATOM 0 HB THR A 69 6.156 -3.086 7.743 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.366 -5.075 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.749 -3.266 9.616 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.344 -2.263 10.046 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.460 -3.935 10.645 1.00 0.00 H new ATOM 1066 N PRO A 70 3.551 -3.293 6.533 1.00 0.00 N ATOM 1067 CA PRO A 70 2.896 -3.607 5.250 1.00 0.00 C ATOM 1068 C PRO A 70 3.640 -4.698 4.489 1.00 0.00 C ATOM 1069 O PRO A 70 3.048 -5.457 3.737 1.00 0.00 O ATOM 1070 CB PRO A 70 2.963 -2.280 4.474 1.00 0.00 C ATOM 1071 CG PRO A 70 4.031 -1.492 5.155 1.00 0.00 C ATOM 1072 CD PRO A 70 3.963 -1.881 6.600 1.00 0.00 C ATOM 0 HA PRO A 70 1.882 -3.981 5.389 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.204 -2.448 3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.007 -1.757 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.011 -1.717 4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.868 -0.422 5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.926 -1.763 7.097 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.243 -1.274 7.150 1.00 0.00 H new ATOM 1080 N LYS A 71 4.944 -4.770 4.714 1.00 0.00 N ATOM 1081 CA LYS A 71 5.788 -5.735 4.114 1.00 0.00 C ATOM 1082 C LYS A 71 5.408 -7.122 4.612 1.00 0.00 C ATOM 1083 O LYS A 71 5.316 -8.071 3.852 1.00 0.00 O ATOM 1084 CB LYS A 71 7.243 -5.372 4.496 1.00 0.00 C ATOM 1085 CG LYS A 71 8.312 -6.319 3.998 1.00 0.00 C ATOM 1086 CD LYS A 71 8.263 -7.628 4.730 1.00 0.00 C ATOM 1087 CE LYS A 71 8.842 -7.535 6.118 1.00 0.00 C ATOM 1088 NZ LYS A 71 8.947 -8.870 6.759 1.00 0.00 N ATOM 0 H LYS A 71 5.436 -4.132 5.339 1.00 0.00 H new ATOM 0 HA LYS A 71 5.685 -5.740 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.461 -4.375 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.310 -5.318 5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.179 -6.492 2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.294 -5.864 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.229 -7.967 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.810 -8.379 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.829 -7.075 6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.217 -6.885 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.833 -8.926 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.140 -9.012 7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.942 -9.608 6.026 1.00 0.00 H new ATOM 1102 N THR A 72 5.189 -7.203 5.899 1.00 0.00 N ATOM 1103 CA THR A 72 4.936 -8.418 6.576 1.00 0.00 C ATOM 1104 C THR A 72 3.489 -8.848 6.408 1.00 0.00 C ATOM 1105 O THR A 72 3.203 -10.027 6.217 1.00 0.00 O ATOM 1106 CB THR A 72 5.327 -8.233 8.048 1.00 0.00 C ATOM 1107 OG1 THR A 72 6.669 -8.673 8.263 1.00 0.00 O ATOM 1108 CG2 THR A 72 4.369 -8.899 9.001 1.00 0.00 C ATOM 0 H THR A 72 5.185 -6.388 6.513 1.00 0.00 H new ATOM 0 HA THR A 72 5.535 -9.222 6.149 1.00 0.00 H new ATOM 0 HB THR A 72 5.267 -7.166 8.264 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.907 -8.548 9.205 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.700 -8.732 10.026 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.372 -8.478 8.869 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.340 -9.970 8.799 1.00 0.00 H new ATOM 1116 N LEU A 73 2.581 -7.894 6.466 1.00 0.00 N ATOM 1117 CA LEU A 73 1.192 -8.186 6.226 1.00 0.00 C ATOM 1118 C LEU A 73 0.984 -8.481 4.756 1.00 0.00 C ATOM 1119 O LEU A 73 0.033 -9.151 4.386 1.00 0.00 O ATOM 1120 CB LEU A 73 0.302 -7.020 6.661 1.00 0.00 C ATOM 1121 CG LEU A 73 0.265 -6.742 8.164 1.00 0.00 C ATOM 1122 CD1 LEU A 73 -0.503 -5.463 8.454 1.00 0.00 C ATOM 1123 CD2 LEU A 73 -0.357 -7.915 8.908 1.00 0.00 C ATOM 0 H LEU A 73 2.784 -6.917 6.676 1.00 0.00 H new ATOM 0 HA LEU A 73 0.913 -9.059 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.641 -6.118 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.715 -7.216 6.321 1.00 0.00 H new ATOM 0 HG LEU A 73 1.290 -6.614 8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.518 -5.283 9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.018 -4.626 7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.525 -5.562 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.375 -7.700 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.375 -8.073 8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.233 -8.814 8.729 1.00 0.00 H new ATOM 1135 N GLU A 74 1.907 -7.968 3.917 1.00 0.00 N ATOM 1136 CA GLU A 74 1.843 -8.142 2.466 1.00 0.00 C ATOM 1137 C GLU A 74 0.467 -7.758 1.916 1.00 0.00 C ATOM 1138 O GLU A 74 0.030 -8.259 0.873 1.00 0.00 O ATOM 1139 CB GLU A 74 2.201 -9.575 2.106 1.00 0.00 C ATOM 1140 CG GLU A 74 3.689 -9.858 2.119 1.00 0.00 C ATOM 1141 CD GLU A 74 4.026 -11.284 1.739 1.00 0.00 C ATOM 1142 OE1 GLU A 74 3.906 -12.184 2.600 1.00 0.00 O ATOM 1143 OE2 GLU A 74 4.423 -11.515 0.576 1.00 0.00 O ATOM 0 H GLU A 74 2.711 -7.425 4.232 1.00 0.00 H new ATOM 0 HA GLU A 74 2.568 -7.472 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.707 -10.249 2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.807 -9.799 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.188 -9.177 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.083 -9.651 3.114 1.00 0.00 H new ATOM 1150 N MET A 75 -0.186 -6.840 2.605 1.00 0.00 N ATOM 1151 CA MET A 75 -1.512 -6.393 2.237 1.00 0.00 C ATOM 1152 C MET A 75 -1.429 -5.360 1.130 1.00 0.00 C ATOM 1153 O MET A 75 -0.358 -4.803 0.869 1.00 0.00 O ATOM 1154 CB MET A 75 -2.237 -5.835 3.461 1.00 0.00 C ATOM 1155 CG MET A 75 -1.616 -4.571 4.032 1.00 0.00 C ATOM 1156 SD MET A 75 -2.257 -4.163 5.664 1.00 0.00 S ATOM 1157 CE MET A 75 -4.000 -3.989 5.319 1.00 0.00 C ATOM 0 H MET A 75 0.191 -6.384 3.436 1.00 0.00 H new ATOM 0 HA MET A 75 -2.084 -7.242 1.862 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.273 -5.628 3.192 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.256 -6.600 4.238 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.535 -4.696 4.091 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.804 -3.739 3.353 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.384 -3.103 5.824 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.150 -3.887 4.244 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.532 -4.870 5.678 1.00 0.00 H new ATOM 1167 N GLU A 76 -2.542 -5.098 0.487 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.564 -4.193 -0.628 1.00 0.00 C ATOM 1169 C GLU A 76 -3.917 -3.532 -0.738 1.00 0.00 C ATOM 1170 O GLU A 76 -4.783 -3.723 0.118 1.00 0.00 O ATOM 1171 CB GLU A 76 -2.233 -4.946 -1.914 1.00 0.00 C ATOM 1172 CG GLU A 76 -3.187 -6.086 -2.206 1.00 0.00 C ATOM 1173 CD GLU A 76 -2.757 -6.914 -3.382 1.00 0.00 C ATOM 1174 OE1 GLU A 76 -1.918 -7.817 -3.197 1.00 0.00 O ATOM 1175 OE2 GLU A 76 -3.266 -6.684 -4.495 1.00 0.00 O ATOM 0 H GLU A 76 -3.448 -5.504 0.722 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.814 -3.418 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.248 -4.247 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.219 -5.339 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.264 -6.724 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.182 -5.683 -2.395 1.00 0.00 H new ATOM 1182 N ASP A 77 -4.086 -2.756 -1.781 1.00 0.00 N ATOM 1183 CA ASP A 77 -5.316 -2.048 -2.027 1.00 0.00 C ATOM 1184 C ASP A 77 -6.475 -3.019 -2.271 1.00 0.00 C ATOM 1185 O ASP A 77 -6.432 -3.844 -3.189 1.00 0.00 O ATOM 1186 CB ASP A 77 -5.138 -1.134 -3.231 1.00 0.00 C ATOM 1187 CG ASP A 77 -6.328 -0.255 -3.485 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -6.499 0.741 -2.753 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -7.095 -0.540 -4.427 1.00 0.00 O ATOM 0 H ASP A 77 -3.368 -2.598 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.558 -1.454 -1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.258 -0.509 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.947 -1.742 -4.116 1.00 0.00 H new ATOM 1194 N ASP A 78 -7.480 -2.915 -1.409 1.00 0.00 N ATOM 1195 CA ASP A 78 -8.721 -3.709 -1.479 1.00 0.00 C ATOM 1196 C ASP A 78 -8.447 -5.187 -1.208 1.00 0.00 C ATOM 1197 O ASP A 78 -9.079 -6.076 -1.787 1.00 0.00 O ATOM 1198 CB ASP A 78 -9.442 -3.494 -2.826 1.00 0.00 C ATOM 1199 CG ASP A 78 -10.858 -4.060 -2.864 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -11.705 -3.629 -2.055 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -11.137 -4.920 -3.736 1.00 0.00 O ATOM 0 H ASP A 78 -7.464 -2.266 -0.622 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.391 -3.358 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.482 -2.426 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.855 -3.956 -3.620 1.00 0.00 H new ATOM 1206 N ASP A 79 -7.500 -5.452 -0.306 1.00 0.00 N ATOM 1207 CA ASP A 79 -7.170 -6.821 0.045 1.00 0.00 C ATOM 1208 C ASP A 79 -8.219 -7.361 1.003 1.00 0.00 C ATOM 1209 O ASP A 79 -9.108 -6.631 1.447 1.00 0.00 O ATOM 1210 CB ASP A 79 -5.773 -6.927 0.672 1.00 0.00 C ATOM 1211 CG ASP A 79 -5.117 -8.285 0.431 1.00 0.00 C ATOM 1212 OD1 ASP A 79 -3.875 -8.374 0.511 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -5.839 -9.262 0.135 1.00 0.00 O ATOM 0 H ASP A 79 -6.958 -4.742 0.186 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.161 -7.416 -0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.136 -6.143 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.847 -6.750 1.745 1.00 0.00 H new ATOM 1218 N VAL A 80 -8.101 -8.607 1.335 1.00 0.00 N ATOM 1219 CA VAL A 80 -9.068 -9.271 2.166 1.00 0.00 C ATOM 1220 C VAL A 80 -8.614 -9.333 3.610 1.00 0.00 C ATOM 1221 O VAL A 80 -7.467 -9.658 3.916 1.00 0.00 O ATOM 1222 CB VAL A 80 -9.351 -10.695 1.654 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -10.002 -10.635 0.289 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -8.066 -11.502 1.590 1.00 0.00 C ATOM 0 H VAL A 80 -7.327 -9.201 1.038 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.985 -8.685 2.117 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.032 -11.187 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.198 -11.647 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.941 -10.086 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.336 -10.129 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.285 -12.506 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.364 -11.015 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.626 -11.565 2.585 1.00 0.00 H new ATOM 1234 N ILE A 81 -9.520 -8.997 4.477 1.00 0.00 N ATOM 1235 CA ILE A 81 -9.295 -9.007 5.894 1.00 0.00 C ATOM 1236 C ILE A 81 -10.410 -9.764 6.587 1.00 0.00 C ATOM 1237 O ILE A 81 -11.582 -9.525 6.330 1.00 0.00 O ATOM 1238 CB ILE A 81 -9.166 -7.566 6.427 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -7.811 -6.959 6.013 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -9.403 -7.473 7.918 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -6.606 -7.701 6.541 1.00 0.00 C ATOM 0 H ILE A 81 -10.460 -8.701 4.214 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.357 -9.520 6.108 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.956 -6.973 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.757 -6.931 4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.768 -5.927 6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.300 -6.436 8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -10.408 -7.826 8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.672 -8.089 8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.696 -7.206 6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.631 -7.707 7.631 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.620 -8.727 6.172 1.00 0.00 H new ATOM 1253 N GLU A 82 -10.040 -10.680 7.449 1.00 0.00 N ATOM 1254 CA GLU A 82 -11.002 -11.543 8.098 1.00 0.00 C ATOM 1255 C GLU A 82 -11.274 -11.105 9.522 1.00 0.00 C ATOM 1256 O GLU A 82 -10.408 -10.556 10.191 1.00 0.00 O ATOM 1257 CB GLU A 82 -10.477 -12.970 8.111 1.00 0.00 C ATOM 1258 CG GLU A 82 -10.160 -13.520 6.738 1.00 0.00 C ATOM 1259 CD GLU A 82 -9.585 -14.909 6.803 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -8.366 -15.043 7.051 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -10.348 -15.877 6.617 1.00 0.00 O ATOM 0 H GLU A 82 -9.071 -10.849 7.720 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.935 -11.484 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.577 -13.010 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.216 -13.614 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.068 -13.532 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.453 -12.859 6.237 1.00 0.00 H new ATOM 1268 N VAL A 83 -12.482 -11.334 9.970 1.00 0.00 N ATOM 1269 CA VAL A 83 -12.854 -11.076 11.343 1.00 0.00 C ATOM 1270 C VAL A 83 -13.392 -12.337 11.974 1.00 0.00 C ATOM 1271 O VAL A 83 -14.246 -13.013 11.408 1.00 0.00 O ATOM 1272 CB VAL A 83 -13.899 -9.943 11.476 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -14.397 -9.828 12.909 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -13.292 -8.636 11.055 1.00 0.00 C ATOM 0 H VAL A 83 -13.238 -11.705 9.395 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.953 -10.748 11.861 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.744 -10.183 10.830 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.130 -9.024 12.976 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.860 -10.768 13.210 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.558 -9.609 13.569 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.033 -7.843 11.151 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.435 -8.411 11.691 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.966 -8.704 10.017 1.00 0.00 H new ATOM 1284 N TYR A 84 -12.871 -12.660 13.122 1.00 0.00 N ATOM 1285 CA TYR A 84 -13.301 -13.815 13.863 1.00 0.00 C ATOM 1286 C TYR A 84 -14.219 -13.410 14.991 1.00 0.00 C ATOM 1287 O TYR A 84 -14.361 -12.220 15.276 1.00 0.00 O ATOM 1288 CB TYR A 84 -12.116 -14.653 14.325 1.00 0.00 C ATOM 1289 CG TYR A 84 -11.556 -15.514 13.206 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -10.732 -14.975 12.232 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -11.876 -16.863 13.117 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -10.241 -15.752 11.200 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -11.385 -17.648 12.091 1.00 0.00 C ATOM 1294 CZ TYR A 84 -10.569 -17.086 11.135 1.00 0.00 C ATOM 1295 OH TYR A 84 -10.088 -17.860 10.101 1.00 0.00 O ATOM 0 H TYR A 84 -12.130 -12.126 13.576 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.880 -14.459 13.202 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.333 -13.996 14.703 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.424 -15.291 15.153 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -10.468 -13.929 12.280 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.520 -17.306 13.863 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.602 -15.313 10.448 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.640 -18.696 12.039 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.411 -18.779 10.203 1.00 0.00 H new ATOM 1305 N GLN A 85 -14.835 -14.384 15.636 1.00 0.00 N ATOM 1306 CA GLN A 85 -15.864 -14.105 16.620 1.00 0.00 C ATOM 1307 C GLN A 85 -15.289 -13.356 17.812 1.00 0.00 C ATOM 1308 O GLN A 85 -14.200 -13.662 18.309 1.00 0.00 O ATOM 1309 CB GLN A 85 -16.541 -15.403 17.062 1.00 0.00 C ATOM 1310 CG GLN A 85 -17.681 -15.203 18.038 1.00 0.00 C ATOM 1311 CD GLN A 85 -18.414 -16.491 18.353 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -17.834 -17.580 18.328 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -19.688 -16.378 18.653 1.00 0.00 N ATOM 0 H GLN A 85 -14.640 -15.375 15.496 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.616 -13.465 16.159 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -16.918 -15.922 16.181 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -15.795 -16.052 17.520 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -17.292 -14.776 18.962 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -18.385 -14.481 17.625 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -20.130 -15.459 18.663 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.235 -17.209 18.876 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.033 -12.363 18.242 1.00 0.00 N ATOM 1323 CA GLU A 86 -15.611 -11.442 19.262 1.00 0.00 C ATOM 1324 C GLU A 86 -16.376 -11.661 20.572 1.00 0.00 C ATOM 1325 O GLU A 86 -17.453 -12.259 20.584 1.00 0.00 O ATOM 1326 CB GLU A 86 -15.794 -10.005 18.752 1.00 0.00 C ATOM 1327 CG GLU A 86 -17.237 -9.607 18.436 1.00 0.00 C ATOM 1328 CD GLU A 86 -17.880 -10.401 17.301 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -18.444 -11.488 17.577 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -17.836 -9.943 16.149 1.00 0.00 O ATOM 0 H GLU A 86 -16.968 -12.172 17.882 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.557 -11.618 19.478 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.400 -9.318 19.500 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.193 -9.876 17.852 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.840 -9.731 19.336 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.260 -8.548 18.180 1.00 0.00 H new ATOM 1337 N GLN A 87 -15.809 -11.170 21.670 1.00 0.00 N ATOM 1338 CA GLN A 87 -16.377 -11.381 23.003 1.00 0.00 C ATOM 1339 C GLN A 87 -17.741 -10.709 23.178 1.00 0.00 C ATOM 1340 O GLN A 87 -18.690 -11.325 23.663 1.00 0.00 O ATOM 1341 CB GLN A 87 -15.400 -10.874 24.070 1.00 0.00 C ATOM 1342 CG GLN A 87 -15.883 -11.062 25.497 1.00 0.00 C ATOM 1343 CD GLN A 87 -14.865 -10.610 26.524 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -14.089 -9.690 26.283 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -14.858 -11.259 27.670 1.00 0.00 N ATOM 0 H GLN A 87 -14.951 -10.619 21.665 1.00 0.00 H new ATOM 0 HA GLN A 87 -16.534 -12.453 23.120 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.448 -11.391 23.950 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -15.211 -9.814 23.899 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.809 -10.504 25.639 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.116 -12.114 25.661 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.520 -12.018 27.830 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.190 -11.003 28.397 1.00 0.00 H new ATOM 1354 N LEU A 88 -17.842 -9.463 22.752 1.00 0.00 N ATOM 1355 CA LEU A 88 -19.057 -8.684 22.953 1.00 0.00 C ATOM 1356 C LEU A 88 -19.948 -8.676 21.718 1.00 0.00 C ATOM 1357 O LEU A 88 -20.989 -8.020 21.699 1.00 0.00 O ATOM 1358 CB LEU A 88 -18.718 -7.238 23.374 1.00 0.00 C ATOM 1359 CG LEU A 88 -18.186 -7.033 24.808 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -19.071 -7.730 25.828 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -16.746 -7.497 24.935 1.00 0.00 C ATOM 0 H LEU A 88 -17.098 -8.965 22.263 1.00 0.00 H new ATOM 0 HA LEU A 88 -19.613 -9.168 23.756 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.975 -6.848 22.678 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -19.616 -6.631 23.256 1.00 0.00 H new ATOM 0 HG LEU A 88 -18.211 -5.963 25.016 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -18.671 -7.567 26.829 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -20.081 -7.324 25.771 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -19.097 -8.799 25.617 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.402 -7.339 25.957 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.683 -8.557 24.691 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.119 -6.928 24.249 1.00 0.00 H new