USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 415 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 13 THR OG1 : rot 156:sc= 1.62 USER MOD Single : A 15 GLN : amide:sc= -2.73! C(o=-2.7!,f=-8.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 60:sc= -6.01! USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -36:sc=0.000742 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.187 USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= 0.379 (180deg=-0.0516) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N GLU A 9 4.353 7.358 3.253 1.00 0.00 N ATOM 82 CA GLU A 9 5.409 6.589 2.605 1.00 0.00 C ATOM 83 C GLU A 9 4.846 5.746 1.464 1.00 0.00 C ATOM 84 O GLU A 9 3.942 4.935 1.663 1.00 0.00 O ATOM 85 CB GLU A 9 6.110 5.686 3.623 1.00 0.00 C ATOM 86 CG GLU A 9 6.994 6.442 4.599 1.00 0.00 C ATOM 87 CD GLU A 9 8.350 6.786 4.014 1.00 0.00 C ATOM 88 OE1 GLU A 9 8.408 7.132 2.815 1.00 0.00 O ATOM 89 OE2 GLU A 9 9.352 6.709 4.755 1.00 0.00 O ATOM 0 HA GLU A 9 6.134 7.291 2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.357 5.131 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.716 4.953 3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.491 7.360 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.132 5.841 5.498 1.00 0.00 H new ATOM 96 N LYS A 10 5.388 5.946 0.267 1.00 0.00 N ATOM 97 CA LYS A 10 4.943 5.205 -0.907 1.00 0.00 C ATOM 98 C LYS A 10 5.673 3.871 -1.019 1.00 0.00 C ATOM 99 O LYS A 10 6.891 3.832 -1.197 1.00 0.00 O ATOM 100 CB LYS A 10 5.172 6.032 -2.174 1.00 0.00 C ATOM 101 CG LYS A 10 4.064 7.032 -2.457 1.00 0.00 C ATOM 102 CD LYS A 10 4.182 7.613 -3.857 1.00 0.00 C ATOM 103 CE LYS A 10 3.115 8.666 -4.114 1.00 0.00 C ATOM 104 NZ LYS A 10 3.340 9.381 -5.402 1.00 0.00 N ATOM 0 H LYS A 10 6.136 6.615 0.085 1.00 0.00 H new ATOM 0 HA LYS A 10 3.877 5.006 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.118 6.566 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.268 5.358 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.095 6.545 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.103 7.837 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.170 8.055 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.091 6.814 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.133 8.192 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.110 9.385 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.592 10.090 -5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.266 9.854 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.319 8.698 -6.186 1.00 0.00 H new ATOM 118 N TYR A 11 4.922 2.780 -0.915 1.00 0.00 N ATOM 119 CA TYR A 11 5.499 1.444 -1.003 1.00 0.00 C ATOM 120 C TYR A 11 5.190 0.806 -2.354 1.00 0.00 C ATOM 121 O TYR A 11 4.564 1.422 -3.217 1.00 0.00 O ATOM 122 CB TYR A 11 4.965 0.559 0.125 1.00 0.00 C ATOM 123 CG TYR A 11 5.803 0.611 1.383 1.00 0.00 C ATOM 124 CD1 TYR A 11 6.014 1.810 2.051 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.383 -0.539 1.902 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.779 1.863 3.200 1.00 0.00 C ATOM 127 CE2 TYR A 11 7.148 -0.497 3.051 1.00 0.00 C ATOM 128 CZ TYR A 11 7.343 0.707 3.697 1.00 0.00 C ATOM 129 OH TYR A 11 8.107 0.753 4.841 1.00 0.00 O ATOM 0 H TYR A 11 3.913 2.795 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 11 6.581 1.536 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.946 0.864 0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.915 -0.472 -0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.572 2.717 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.233 -1.483 1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.934 2.804 3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.591 -1.401 3.442 1.00 0.00 H new ATOM 0 HH TYR A 11 8.429 -0.147 5.056 1.00 0.00 H new ATOM 139 N VAL A 12 5.634 -0.435 -2.530 1.00 0.00 N ATOM 140 CA VAL A 12 5.405 -1.160 -3.775 1.00 0.00 C ATOM 141 C VAL A 12 4.898 -2.571 -3.504 1.00 0.00 C ATOM 142 O VAL A 12 5.269 -3.196 -2.508 1.00 0.00 O ATOM 143 CB VAL A 12 6.689 -1.240 -4.621 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.533 -2.269 -5.731 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.035 0.126 -5.195 1.00 0.00 C ATOM 0 H VAL A 12 6.154 -0.959 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 12 4.647 -0.606 -4.330 1.00 0.00 H new ATOM 0 HB VAL A 12 7.509 -1.556 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.450 -2.312 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.336 -3.248 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.702 -1.985 -6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.945 0.051 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.217 0.473 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.191 0.834 -4.381 1.00 0.00 H new ATOM 155 N THR A 13 4.050 -3.073 -4.396 1.00 0.00 N ATOM 156 CA THR A 13 3.491 -4.411 -4.253 1.00 0.00 C ATOM 157 C THR A 13 4.347 -5.443 -4.977 1.00 0.00 C ATOM 158 O THR A 13 4.918 -5.163 -6.031 1.00 0.00 O ATOM 159 CB THR A 13 2.052 -4.480 -4.798 1.00 0.00 C ATOM 160 OG1 THR A 13 2.049 -4.226 -6.207 1.00 0.00 O ATOM 161 CG2 THR A 13 1.158 -3.471 -4.093 1.00 0.00 C ATOM 0 H THR A 13 3.735 -2.572 -5.227 1.00 0.00 H new ATOM 0 HA THR A 13 3.478 -4.637 -3.187 1.00 0.00 H new ATOM 0 HB THR A 13 1.663 -5.481 -4.609 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.251 -4.628 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.147 -3.538 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.139 -3.686 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.547 -2.465 -4.254 1.00 0.00 H new ATOM 169 N VAL A 14 4.432 -6.640 -4.406 1.00 0.00 N ATOM 170 CA VAL A 14 5.217 -7.717 -4.998 1.00 0.00 C ATOM 171 C VAL A 14 4.329 -8.891 -5.395 1.00 0.00 C ATOM 172 O VAL A 14 4.778 -9.824 -6.060 1.00 0.00 O ATOM 173 CB VAL A 14 6.307 -8.216 -4.031 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.484 -7.252 -4.010 1.00 0.00 C ATOM 175 CG2 VAL A 14 5.734 -8.401 -2.634 1.00 0.00 C ATOM 0 H VAL A 14 3.966 -6.889 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 14 5.693 -7.307 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 14 6.667 -9.183 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.244 -7.621 -3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.908 -7.174 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.144 -6.270 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.517 -8.754 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.347 -7.449 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.927 -9.133 -2.666 1.00 0.00 H new ATOM 185 N GLN A 15 3.067 -8.837 -4.983 1.00 0.00 N ATOM 186 CA GLN A 15 2.116 -9.897 -5.295 1.00 0.00 C ATOM 187 C GLN A 15 0.686 -9.364 -5.289 1.00 0.00 C ATOM 188 O GLN A 15 0.323 -8.500 -4.492 1.00 0.00 O ATOM 189 CB GLN A 15 2.250 -11.043 -4.291 1.00 0.00 C ATOM 190 CG GLN A 15 3.638 -11.661 -4.254 1.00 0.00 C ATOM 191 CD GLN A 15 4.010 -12.337 -5.559 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.250 -12.304 -6.528 1.00 0.00 O ATOM 193 NE2 GLN A 15 5.185 -12.955 -5.593 1.00 0.00 N ATOM 0 H GLN A 15 2.679 -8.071 -4.433 1.00 0.00 H new ATOM 0 HA GLN A 15 2.341 -10.271 -6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.999 -10.675 -3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.523 -11.817 -4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.371 -10.886 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.686 -12.390 -3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.784 -12.958 -4.767 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.489 -13.427 -6.445 1.00 0.00 H new ATOM 202 N PRO A 16 -0.146 -9.892 -6.199 1.00 0.00 N ATOM 203 CA PRO A 16 -1.549 -9.485 -6.320 1.00 0.00 C ATOM 204 C PRO A 16 -2.391 -9.951 -5.136 1.00 0.00 C ATOM 205 O PRO A 16 -2.204 -11.056 -4.626 1.00 0.00 O ATOM 206 CB PRO A 16 -2.009 -10.173 -7.606 1.00 0.00 C ATOM 207 CG PRO A 16 -1.107 -11.350 -7.750 1.00 0.00 C ATOM 208 CD PRO A 16 0.219 -10.927 -7.181 1.00 0.00 C ATOM 0 HA PRO A 16 -1.659 -8.401 -6.339 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.053 -10.480 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.928 -9.505 -8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.504 -12.213 -7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.008 -11.640 -8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.739 -11.762 -6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.880 -10.533 -7.953 1.00 0.00 H new ATOM 216 N TYR A 17 -3.317 -9.102 -4.705 1.00 0.00 N ATOM 217 CA TYR A 17 -4.187 -9.426 -3.580 1.00 0.00 C ATOM 218 C TYR A 17 -5.652 -9.210 -3.945 1.00 0.00 C ATOM 219 O TYR A 17 -6.000 -8.242 -4.623 1.00 0.00 O ATOM 220 CB TYR A 17 -3.821 -8.573 -2.363 1.00 0.00 C ATOM 221 CG TYR A 17 -4.555 -8.971 -1.103 1.00 0.00 C ATOM 222 CD1 TYR A 17 -5.837 -8.502 -0.846 1.00 0.00 C ATOM 223 CD2 TYR A 17 -3.966 -9.814 -0.169 1.00 0.00 C ATOM 224 CE1 TYR A 17 -6.512 -8.862 0.305 1.00 0.00 C ATOM 225 CE2 TYR A 17 -4.634 -10.181 0.983 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.906 -9.702 1.216 1.00 0.00 C ATOM 227 OH TYR A 17 -6.574 -10.063 2.364 1.00 0.00 O ATOM 0 H TYR A 17 -3.485 -8.184 -5.117 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.044 -10.478 -3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.748 -8.647 -2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.036 -7.528 -2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.314 -7.845 -1.558 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.969 -10.189 -0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.508 -8.488 0.490 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.163 -10.840 1.697 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.008 -10.659 2.898 1.00 0.00 H new ATOM 237 N THR A 18 -6.508 -10.118 -3.489 1.00 0.00 N ATOM 238 CA THR A 18 -7.937 -10.029 -3.765 1.00 0.00 C ATOM 239 C THR A 18 -8.724 -9.706 -2.500 1.00 0.00 C ATOM 240 O THR A 18 -8.705 -10.468 -1.534 1.00 0.00 O ATOM 241 CB THR A 18 -8.475 -11.340 -4.369 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.620 -11.777 -5.432 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.889 -11.153 -4.894 1.00 0.00 C ATOM 0 H THR A 18 -6.237 -10.924 -2.926 1.00 0.00 H new ATOM 0 HA THR A 18 -8.069 -9.223 -4.487 1.00 0.00 H new ATOM 0 HB THR A 18 -8.493 -12.096 -3.584 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.968 -12.612 -5.809 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.248 -12.092 -5.316 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.543 -10.849 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.892 -10.384 -5.666 1.00 0.00 H new ATOM 251 N SER A 19 -9.413 -8.570 -2.512 1.00 0.00 N ATOM 252 CA SER A 19 -10.205 -8.144 -1.364 1.00 0.00 C ATOM 253 C SER A 19 -11.682 -8.463 -1.574 1.00 0.00 C ATOM 254 O SER A 19 -12.279 -8.057 -2.572 1.00 0.00 O ATOM 255 CB SER A 19 -10.024 -6.644 -1.121 1.00 0.00 C ATOM 256 OG SER A 19 -8.934 -6.396 -0.250 1.00 0.00 O ATOM 0 H SER A 19 -9.439 -7.928 -3.304 1.00 0.00 H new ATOM 0 HA SER A 19 -9.855 -8.691 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.857 -6.136 -2.071 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.937 -6.229 -0.694 1.00 0.00 H new ATOM 0 HG SER A 19 -8.111 -6.752 -0.646 1.00 0.00 H new ATOM 262 N GLN A 20 -12.265 -9.189 -0.626 1.00 0.00 N ATOM 263 CA GLN A 20 -13.672 -9.563 -0.707 1.00 0.00 C ATOM 264 C GLN A 20 -14.494 -8.818 0.339 1.00 0.00 C ATOM 265 O GLN A 20 -15.527 -9.308 0.796 1.00 0.00 O ATOM 266 CB GLN A 20 -13.832 -11.073 -0.519 1.00 0.00 C ATOM 267 CG GLN A 20 -13.595 -11.872 -1.791 1.00 0.00 C ATOM 268 CD GLN A 20 -13.331 -13.340 -1.516 1.00 0.00 C ATOM 269 OE1 GLN A 20 -14.150 -14.026 -0.903 1.00 0.00 O ATOM 270 NE2 GLN A 20 -12.184 -13.830 -1.970 1.00 0.00 N ATOM 0 H GLN A 20 -11.785 -9.530 0.207 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.039 -9.287 -1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.135 -11.411 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.837 -11.281 -0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.464 -11.779 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.747 -11.449 -2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.535 -13.225 -2.473 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.952 -14.811 -1.816 1.00 0.00 H new ATOM 279 N SER A 21 -14.028 -7.632 0.717 1.00 0.00 N ATOM 280 CA SER A 21 -14.717 -6.821 1.713 1.00 0.00 C ATOM 281 C SER A 21 -14.305 -5.357 1.602 1.00 0.00 C ATOM 282 O SER A 21 -13.123 -5.041 1.461 1.00 0.00 O ATOM 283 CB SER A 21 -14.419 -7.342 3.120 1.00 0.00 C ATOM 284 OG SER A 21 -15.001 -6.507 4.107 1.00 0.00 O ATOM 0 H SER A 21 -13.175 -7.211 0.348 1.00 0.00 H new ATOM 0 HA SER A 21 -15.788 -6.893 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.804 -8.357 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.341 -7.393 3.272 1.00 0.00 H new ATOM 0 HG SER A 21 -14.797 -6.862 4.997 1.00 0.00 H new ATOM 290 N LYS A 22 -15.287 -4.465 1.667 1.00 0.00 N ATOM 291 CA LYS A 22 -15.029 -3.032 1.575 1.00 0.00 C ATOM 292 C LYS A 22 -13.846 -2.636 2.453 1.00 0.00 C ATOM 293 O LYS A 22 -13.027 -1.803 2.066 1.00 0.00 O ATOM 294 CB LYS A 22 -16.273 -2.242 1.989 1.00 0.00 C ATOM 295 CG LYS A 22 -16.160 -0.751 1.727 1.00 0.00 C ATOM 296 CD LYS A 22 -17.519 -0.073 1.771 1.00 0.00 C ATOM 297 CE LYS A 22 -17.425 1.391 1.369 1.00 0.00 C ATOM 298 NZ LYS A 22 -17.427 1.563 -0.111 1.00 0.00 N ATOM 0 H LYS A 22 -16.271 -4.709 1.783 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.785 -2.797 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.137 -2.633 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.459 -2.403 3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.503 -0.299 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.701 -0.586 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.207 -0.591 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.933 -0.149 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.263 1.940 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.514 1.823 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.362 2.575 -0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.613 1.061 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.307 1.174 -0.505 1.00 0.00 H new ATOM 312 N ASP A 23 -13.762 -3.240 3.633 1.00 0.00 N ATOM 313 CA ASP A 23 -12.678 -2.951 4.565 1.00 0.00 C ATOM 314 C ASP A 23 -11.323 -3.248 3.929 1.00 0.00 C ATOM 315 O ASP A 23 -10.347 -2.539 4.170 1.00 0.00 O ATOM 316 CB ASP A 23 -12.845 -3.769 5.846 1.00 0.00 C ATOM 317 CG ASP A 23 -14.222 -3.607 6.460 1.00 0.00 C ATOM 318 OD1 ASP A 23 -14.713 -2.461 6.519 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.806 -4.626 6.886 1.00 0.00 O ATOM 0 H ASP A 23 -14.432 -3.933 3.967 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.719 -1.891 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.670 -4.822 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.089 -3.464 6.570 1.00 0.00 H new ATOM 324 N GLU A 24 -11.273 -4.300 3.119 1.00 0.00 N ATOM 325 CA GLU A 24 -10.037 -4.692 2.451 1.00 0.00 C ATOM 326 C GLU A 24 -10.039 -4.238 0.994 1.00 0.00 C ATOM 327 O GLU A 24 -11.095 -4.109 0.374 1.00 0.00 O ATOM 328 CB GLU A 24 -9.851 -6.209 2.524 1.00 0.00 C ATOM 329 CG GLU A 24 -9.952 -6.767 3.934 1.00 0.00 C ATOM 330 CD GLU A 24 -10.314 -8.239 3.953 1.00 0.00 C ATOM 331 OE1 GLU A 24 -11.070 -8.676 3.059 1.00 0.00 O ATOM 332 OE2 GLU A 24 -9.843 -8.955 4.861 1.00 0.00 O ATOM 0 H GLU A 24 -12.073 -4.896 2.909 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.207 -4.206 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.602 -6.689 1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.877 -6.468 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.001 -6.624 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.702 -6.205 4.491 1.00 0.00 H new ATOM 339 N ILE A 25 -8.849 -3.997 0.455 1.00 0.00 N ATOM 340 CA ILE A 25 -8.713 -3.558 -0.929 1.00 0.00 C ATOM 341 C ILE A 25 -7.865 -4.536 -1.735 1.00 0.00 C ATOM 342 O ILE A 25 -6.873 -5.070 -1.238 1.00 0.00 O ATOM 343 CB ILE A 25 -8.081 -2.157 -1.016 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.428 -1.499 -2.352 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.573 -2.244 -0.837 1.00 0.00 C ATOM 346 CD1 ILE A 25 -8.014 -0.046 -2.436 1.00 0.00 C ATOM 0 H ILE A 25 -7.966 -4.098 0.955 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.719 -3.521 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.487 -1.541 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.945 -2.053 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.503 -1.572 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.141 -1.245 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.347 -2.676 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.149 -2.874 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.291 0.356 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.517 0.522 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.935 0.033 -2.305 1.00 0.00 H new ATOM 358 N GLY A 26 -8.261 -4.766 -2.983 1.00 0.00 N ATOM 359 CA GLY A 26 -7.526 -5.678 -3.839 1.00 0.00 C ATOM 360 C GLY A 26 -6.673 -4.954 -4.861 1.00 0.00 C ATOM 361 O GLY A 26 -7.167 -4.105 -5.603 1.00 0.00 O ATOM 0 H GLY A 26 -9.078 -4.337 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.889 -6.315 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.228 -6.333 -4.355 1.00 0.00 H new ATOM 365 N PHE A 27 -5.387 -5.288 -4.899 1.00 0.00 N ATOM 366 CA PHE A 27 -4.462 -4.661 -5.837 1.00 0.00 C ATOM 367 C PHE A 27 -3.685 -5.714 -6.621 1.00 0.00 C ATOM 368 O PHE A 27 -3.770 -6.907 -6.330 1.00 0.00 O ATOM 369 CB PHE A 27 -3.491 -3.743 -5.092 1.00 0.00 C ATOM 370 CG PHE A 27 -2.837 -4.398 -3.909 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.753 -5.244 -4.079 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.306 -4.168 -2.625 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.149 -5.848 -2.993 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.705 -4.767 -1.534 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.626 -5.610 -1.719 1.00 0.00 C ATOM 0 H PHE A 27 -4.962 -5.989 -4.292 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.045 -4.067 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.719 -3.406 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.027 -2.856 -4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.375 -5.434 -5.073 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.151 -3.513 -2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.305 -6.505 -3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.078 -4.576 -0.539 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.156 -6.082 -0.869 1.00 0.00 H new ATOM 385 N GLU A 28 -2.926 -5.264 -7.615 1.00 0.00 N ATOM 386 CA GLU A 28 -2.134 -6.167 -8.441 1.00 0.00 C ATOM 387 C GLU A 28 -0.663 -6.126 -8.037 1.00 0.00 C ATOM 388 O GLU A 28 -0.290 -5.455 -7.074 1.00 0.00 O ATOM 389 CB GLU A 28 -2.278 -5.800 -9.919 1.00 0.00 C ATOM 390 CG GLU A 28 -3.703 -5.909 -10.438 1.00 0.00 C ATOM 391 CD GLU A 28 -4.019 -7.284 -10.992 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.152 -7.860 -11.682 1.00 0.00 O ATOM 393 OE2 GLU A 28 -5.134 -7.785 -10.733 1.00 0.00 O ATOM 0 H GLU A 28 -2.843 -4.279 -7.868 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.507 -7.180 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.923 -4.780 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.634 -6.451 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.398 -5.678 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.860 -5.163 -11.217 1.00 0.00 H new ATOM 400 N LYS A 29 0.168 -6.850 -8.778 1.00 0.00 N ATOM 401 CA LYS A 29 1.599 -6.898 -8.499 1.00 0.00 C ATOM 402 C LYS A 29 2.372 -6.010 -9.469 1.00 0.00 C ATOM 403 O LYS A 29 2.390 -6.258 -10.673 1.00 0.00 O ATOM 404 CB LYS A 29 2.109 -8.338 -8.591 1.00 0.00 C ATOM 405 CG LYS A 29 3.597 -8.438 -8.882 1.00 0.00 C ATOM 406 CD LYS A 29 4.017 -9.874 -9.147 1.00 0.00 C ATOM 407 CE LYS A 29 5.507 -9.974 -9.436 1.00 0.00 C ATOM 408 NZ LYS A 29 6.043 -11.328 -9.122 1.00 0.00 N ATOM 0 H LYS A 29 -0.125 -7.412 -9.577 1.00 0.00 H new ATOM 0 HA LYS A 29 1.760 -6.526 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.895 -8.851 -7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.558 -8.861 -9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.842 -7.821 -9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.161 -8.043 -8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.770 -10.492 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.454 -10.269 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.689 -9.746 -10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.042 -9.227 -8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.061 -11.356 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.892 -11.536 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.551 -12.039 -9.700 1.00 0.00 H new ATOM 422 N GLY A 30 3.013 -4.974 -8.933 1.00 0.00 N ATOM 423 CA GLY A 30 3.780 -4.067 -9.765 1.00 0.00 C ATOM 424 C GLY A 30 3.172 -2.680 -9.825 1.00 0.00 C ATOM 425 O GLY A 30 3.348 -1.958 -10.807 1.00 0.00 O ATOM 0 H GLY A 30 3.014 -4.748 -7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.797 -3.998 -9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.848 -4.474 -10.774 1.00 0.00 H new ATOM 429 N VAL A 31 2.452 -2.306 -8.773 1.00 0.00 N ATOM 430 CA VAL A 31 1.813 -0.997 -8.709 1.00 0.00 C ATOM 431 C VAL A 31 2.318 -0.197 -7.512 1.00 0.00 C ATOM 432 O VAL A 31 3.067 -0.709 -6.680 1.00 0.00 O ATOM 433 CB VAL A 31 0.280 -1.123 -8.619 1.00 0.00 C ATOM 434 CG1 VAL A 31 -0.302 -1.523 -9.966 1.00 0.00 C ATOM 435 CG2 VAL A 31 -0.109 -2.122 -7.540 1.00 0.00 C ATOM 0 H VAL A 31 2.296 -2.891 -7.952 1.00 0.00 H new ATOM 0 HA VAL A 31 2.073 -0.473 -9.629 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.133 -0.152 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.386 -1.607 -9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.052 -0.766 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.114 -2.483 -10.272 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.195 -2.199 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.313 -3.098 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.276 -1.786 -6.577 1.00 0.00 H new ATOM 445 N THR A 32 1.900 1.063 -7.432 1.00 0.00 N ATOM 446 CA THR A 32 2.311 1.934 -6.338 1.00 0.00 C ATOM 447 C THR A 32 1.164 2.167 -5.361 1.00 0.00 C ATOM 448 O THR A 32 0.016 2.349 -5.767 1.00 0.00 O ATOM 449 CB THR A 32 2.809 3.296 -6.861 1.00 0.00 C ATOM 450 OG1 THR A 32 3.947 3.108 -7.709 1.00 0.00 O ATOM 451 CG2 THR A 32 3.177 4.216 -5.707 1.00 0.00 C ATOM 0 H THR A 32 1.278 1.502 -8.111 1.00 0.00 H new ATOM 0 HA THR A 32 3.128 1.430 -5.822 1.00 0.00 H new ATOM 0 HB THR A 32 2.004 3.759 -7.431 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.257 3.977 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.526 5.171 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.301 4.380 -5.079 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.968 3.757 -5.114 1.00 0.00 H new ATOM 459 N VAL A 33 1.481 2.161 -4.070 1.00 0.00 N ATOM 460 CA VAL A 33 0.478 2.372 -3.035 1.00 0.00 C ATOM 461 C VAL A 33 0.975 3.352 -1.978 1.00 0.00 C ATOM 462 O VAL A 33 2.167 3.400 -1.676 1.00 0.00 O ATOM 463 CB VAL A 33 0.090 1.048 -2.349 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.597 0.116 -3.336 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.316 0.385 -1.742 1.00 0.00 C ATOM 0 H VAL A 33 2.426 2.012 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.401 2.788 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.612 1.267 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.864 -0.814 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.499 0.593 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.079 -0.100 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.024 -0.549 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.043 0.177 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.761 1.050 -1.002 1.00 0.00 H new ATOM 475 N GLU A 34 0.054 4.131 -1.420 1.00 0.00 N ATOM 476 CA GLU A 34 0.401 5.110 -0.397 1.00 0.00 C ATOM 477 C GLU A 34 0.034 4.599 0.993 1.00 0.00 C ATOM 478 O GLU A 34 -1.143 4.462 1.326 1.00 0.00 O ATOM 479 CB GLU A 34 -0.311 6.438 -0.668 1.00 0.00 C ATOM 480 CG GLU A 34 0.427 7.335 -1.647 1.00 0.00 C ATOM 481 CD GLU A 34 -0.299 8.642 -1.902 1.00 0.00 C ATOM 482 OE1 GLU A 34 -0.969 9.141 -0.973 1.00 0.00 O ATOM 483 OE2 GLU A 34 -0.199 9.165 -3.031 1.00 0.00 O ATOM 0 H GLU A 34 -0.937 4.103 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 34 1.479 5.269 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.308 6.233 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.439 6.971 0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.424 7.547 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.558 6.806 -2.591 1.00 0.00 H new ATOM 490 N VAL A 35 1.052 4.316 1.800 1.00 0.00 N ATOM 491 CA VAL A 35 0.838 3.820 3.154 1.00 0.00 C ATOM 492 C VAL A 35 0.275 4.911 4.057 1.00 0.00 C ATOM 493 O VAL A 35 0.879 5.974 4.214 1.00 0.00 O ATOM 494 CB VAL A 35 2.144 3.283 3.768 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.893 2.738 5.166 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.754 2.216 2.872 1.00 0.00 C ATOM 0 H VAL A 35 2.032 4.422 1.539 1.00 0.00 H new ATOM 0 HA VAL A 35 0.118 3.005 3.082 1.00 0.00 H new ATOM 0 HB VAL A 35 2.853 4.107 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.827 2.363 5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.505 3.533 5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.167 1.927 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.676 1.847 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.051 1.391 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.973 2.644 1.894 1.00 0.00 H new ATOM 506 N ILE A 36 -0.883 4.643 4.650 1.00 0.00 N ATOM 507 CA ILE A 36 -1.526 5.602 5.540 1.00 0.00 C ATOM 508 C ILE A 36 -1.303 5.232 7.001 1.00 0.00 C ATOM 509 O ILE A 36 -0.568 5.910 7.719 1.00 0.00 O ATOM 510 CB ILE A 36 -3.040 5.693 5.270 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.301 5.943 3.783 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.663 6.794 6.115 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.667 5.483 3.324 1.00 0.00 C ATOM 0 H ILE A 36 -1.396 3.769 4.530 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.070 6.572 5.340 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.501 4.745 5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.198 7.009 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.538 5.430 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.733 6.846 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.503 6.577 7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.200 7.749 5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.783 5.691 2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.767 4.411 3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.437 6.014 3.884 1.00 0.00 H new ATOM 525 N ARG A 37 -1.941 4.149 7.436 1.00 0.00 N ATOM 526 CA ARG A 37 -1.811 3.687 8.813 1.00 0.00 C ATOM 527 C ARG A 37 -0.773 2.575 8.918 1.00 0.00 C ATOM 528 O ARG A 37 -0.410 1.953 7.919 1.00 0.00 O ATOM 529 CB ARG A 37 -3.161 3.192 9.336 1.00 0.00 C ATOM 530 CG ARG A 37 -4.232 4.269 9.375 1.00 0.00 C ATOM 531 CD ARG A 37 -3.898 5.350 10.392 1.00 0.00 C ATOM 532 NE ARG A 37 -4.934 6.378 10.458 1.00 0.00 N ATOM 533 CZ ARG A 37 -4.874 7.430 11.265 1.00 0.00 C ATOM 534 NH1 ARG A 37 -3.834 7.593 12.072 1.00 0.00 N ATOM 535 NH2 ARG A 37 -5.856 8.322 11.268 1.00 0.00 N ATOM 0 H ARG A 37 -2.553 3.576 6.855 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.479 4.528 9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.506 2.371 8.707 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.026 2.789 10.340 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.335 4.717 8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.193 3.819 9.623 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.774 4.897 11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.946 5.811 10.131 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.748 6.282 9.851 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.077 6.909 12.074 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.791 8.403 12.691 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.658 8.200 10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.809 9.130 11.889 1.00 0.00 H new ATOM 626 N TRP A 43 -1.266 -5.036 9.790 1.00 0.00 N ATOM 627 CA TRP A 43 -2.255 -4.353 8.963 1.00 0.00 C ATOM 628 C TRP A 43 -1.775 -2.957 8.584 1.00 0.00 C ATOM 629 O TRP A 43 -1.627 -2.087 9.443 1.00 0.00 O ATOM 630 CB TRP A 43 -3.592 -4.263 9.701 1.00 0.00 C ATOM 631 CG TRP A 43 -4.474 -5.456 9.481 1.00 0.00 C ATOM 632 CD1 TRP A 43 -5.022 -6.258 10.440 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.904 -5.983 8.221 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.770 -7.251 9.852 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.713 -7.103 8.492 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.686 -5.615 6.890 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.302 -7.858 7.480 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.271 -6.365 5.888 1.00 0.00 C ATOM 639 CH2 TRP A 43 -6.072 -7.475 6.186 1.00 0.00 C ATOM 0 HA TRP A 43 -2.391 -4.931 8.049 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.403 -4.152 10.769 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.119 -3.366 9.376 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.888 -6.131 11.504 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.284 -7.979 10.348 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.072 -4.760 6.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.918 -8.715 7.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.108 -6.091 4.856 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.517 -8.039 5.380 1.00 0.00 H new ATOM 650 N TRP A 44 -1.536 -2.748 7.294 1.00 0.00 N ATOM 651 CA TRP A 44 -1.074 -1.456 6.802 1.00 0.00 C ATOM 652 C TRP A 44 -2.120 -0.810 5.900 1.00 0.00 C ATOM 653 O TRP A 44 -2.247 -1.167 4.728 1.00 0.00 O ATOM 654 CB TRP A 44 0.243 -1.619 6.041 1.00 0.00 C ATOM 655 CG TRP A 44 1.426 -1.817 6.938 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.408 -2.223 8.242 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.803 -1.620 6.597 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.690 -2.287 8.733 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.564 -1.923 7.743 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.468 -1.217 5.435 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.953 -1.835 7.759 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.846 -1.130 5.453 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.577 -1.439 6.608 1.00 0.00 C ATOM 0 H TRP A 44 -1.655 -3.457 6.570 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.912 -0.805 7.661 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.161 -2.471 5.366 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.409 -0.737 5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.517 -2.459 8.805 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.949 -2.561 9.681 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.914 -0.978 4.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.518 -2.071 8.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.370 -0.818 4.561 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.654 -1.363 6.589 1.00 0.00 H new ATOM 674 N TYR A 45 -2.867 0.138 6.452 1.00 0.00 N ATOM 675 CA TYR A 45 -3.904 0.832 5.698 1.00 0.00 C ATOM 676 C TYR A 45 -3.297 1.634 4.549 1.00 0.00 C ATOM 677 O TYR A 45 -2.738 2.711 4.758 1.00 0.00 O ATOM 678 CB TYR A 45 -4.700 1.758 6.616 1.00 0.00 C ATOM 679 CG TYR A 45 -6.058 2.136 6.068 1.00 0.00 C ATOM 680 CD1 TYR A 45 -7.019 1.168 5.809 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.379 3.463 5.807 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.260 1.508 5.307 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.617 3.813 5.307 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.555 2.833 5.058 1.00 0.00 C ATOM 685 OH TYR A 45 -9.789 3.176 4.558 1.00 0.00 O ATOM 0 H TYR A 45 -2.774 0.444 7.420 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.576 0.083 5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.831 1.272 7.583 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.123 2.666 6.791 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.792 0.130 6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.647 4.234 5.999 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.995 0.742 5.111 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.850 4.849 5.112 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.092 2.485 3.932 1.00 0.00 H new ATOM 695 N ILE A 46 -3.415 1.101 3.337 1.00 0.00 N ATOM 696 CA ILE A 46 -2.881 1.767 2.156 1.00 0.00 C ATOM 697 C ILE A 46 -4.003 2.309 1.277 1.00 0.00 C ATOM 698 O ILE A 46 -5.173 1.990 1.480 1.00 0.00 O ATOM 699 CB ILE A 46 -2.003 0.816 1.322 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.788 -0.445 0.953 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.739 0.453 2.087 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.217 -1.185 -0.237 1.00 0.00 C ATOM 0 H ILE A 46 -3.875 0.211 3.148 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.268 2.596 2.510 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.714 1.325 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.808 -1.115 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.821 -0.171 0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.129 -0.220 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.173 1.359 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.008 -0.040 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.823 -2.068 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.222 -0.531 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.194 -1.490 -0.019 1.00 0.00 H new ATOM 714 N ARG A 47 -3.635 3.129 0.297 1.00 0.00 N ATOM 715 CA ARG A 47 -4.611 3.715 -0.614 1.00 0.00 C ATOM 716 C ARG A 47 -4.210 3.473 -2.067 1.00 0.00 C ATOM 717 O ARG A 47 -3.166 3.941 -2.521 1.00 0.00 O ATOM 718 CB ARG A 47 -4.746 5.216 -0.354 1.00 0.00 C ATOM 719 CG ARG A 47 -5.629 5.932 -1.364 1.00 0.00 C ATOM 720 CD ARG A 47 -5.376 7.431 -1.360 1.00 0.00 C ATOM 721 NE ARG A 47 -4.217 7.794 -2.171 1.00 0.00 N ATOM 722 CZ ARG A 47 -3.915 9.045 -2.502 1.00 0.00 C ATOM 723 NH1 ARG A 47 -4.682 10.046 -2.095 1.00 0.00 N ATOM 724 NH2 ARG A 47 -2.843 9.295 -3.244 1.00 0.00 N ATOM 0 H ARG A 47 -2.669 3.402 0.114 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.573 3.235 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.154 5.368 0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.755 5.669 -0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.441 5.533 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.677 5.738 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.258 7.948 -1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.222 7.770 -0.335 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.606 7.047 -2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.507 9.857 -1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.447 11.005 -2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.251 8.527 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.611 10.255 -3.498 1.00 0.00 H new ATOM 738 N TYR A 48 -5.048 2.739 -2.792 1.00 0.00 N ATOM 739 CA TYR A 48 -4.780 2.432 -4.192 1.00 0.00 C ATOM 740 C TYR A 48 -5.953 2.847 -5.074 1.00 0.00 C ATOM 741 O TYR A 48 -7.096 2.453 -4.834 1.00 0.00 O ATOM 742 CB TYR A 48 -4.500 0.939 -4.364 1.00 0.00 C ATOM 743 CG TYR A 48 -4.607 0.463 -5.795 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.749 0.949 -6.775 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.565 -0.471 -6.168 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.844 0.518 -8.085 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.666 -0.909 -7.475 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.804 -0.410 -8.430 1.00 0.00 C ATOM 749 OH TYR A 48 -4.900 -0.842 -9.732 1.00 0.00 O ATOM 0 H TYR A 48 -5.918 2.346 -2.433 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.900 2.997 -4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.499 0.720 -3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.200 0.374 -3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.996 1.675 -6.508 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.243 -0.862 -5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.170 0.906 -8.834 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.415 -1.638 -7.747 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.626 -1.496 -9.807 1.00 0.00 H new ATOM 759 N LEU A 49 -5.664 3.644 -6.097 1.00 0.00 N ATOM 760 CA LEU A 49 -6.694 4.112 -7.017 1.00 0.00 C ATOM 761 C LEU A 49 -7.741 4.946 -6.285 1.00 0.00 C ATOM 762 O LEU A 49 -8.917 4.940 -6.644 1.00 0.00 O ATOM 763 CB LEU A 49 -7.365 2.925 -7.710 1.00 0.00 C ATOM 764 CG LEU A 49 -6.609 2.326 -8.897 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.300 1.063 -9.387 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.492 3.342 -10.023 1.00 0.00 C ATOM 0 H LEU A 49 -4.725 3.979 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.216 4.741 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.522 2.139 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.350 3.240 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.604 2.062 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.748 0.651 -10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.331 0.330 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.316 1.302 -9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.951 2.898 -10.859 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.488 3.638 -10.351 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.952 4.219 -9.667 1.00 0.00 H new ATOM 778 N GLY A 50 -7.302 5.666 -5.257 1.00 0.00 N ATOM 779 CA GLY A 50 -8.213 6.498 -4.491 1.00 0.00 C ATOM 780 C GLY A 50 -9.028 5.698 -3.493 1.00 0.00 C ATOM 781 O GLY A 50 -9.787 6.262 -2.706 1.00 0.00 O ATOM 0 H GLY A 50 -6.332 5.688 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.644 7.262 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.887 7.017 -5.173 1.00 0.00 H new ATOM 785 N LYS A 51 -8.871 4.379 -3.526 1.00 0.00 N ATOM 786 CA LYS A 51 -9.598 3.499 -2.617 1.00 0.00 C ATOM 787 C LYS A 51 -8.728 3.107 -1.428 1.00 0.00 C ATOM 788 O LYS A 51 -7.649 2.541 -1.596 1.00 0.00 O ATOM 789 CB LYS A 51 -10.065 2.243 -3.357 1.00 0.00 C ATOM 790 CG LYS A 51 -11.446 2.380 -3.974 1.00 0.00 C ATOM 791 CD LYS A 51 -11.371 2.910 -5.396 1.00 0.00 C ATOM 792 CE LYS A 51 -11.441 4.429 -5.429 1.00 0.00 C ATOM 793 NZ LYS A 51 -11.750 4.941 -6.792 1.00 0.00 N ATOM 0 H LYS A 51 -8.247 3.895 -4.172 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.468 4.040 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.347 2.006 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.068 1.402 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.944 1.411 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.052 3.051 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.443 2.577 -5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.189 2.494 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.204 4.772 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.491 4.844 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.287 5.828 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.863 5.116 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.316 4.237 -7.307 1.00 0.00 H new ATOM 807 N GLU A 52 -9.207 3.412 -0.225 1.00 0.00 N ATOM 808 CA GLU A 52 -8.472 3.090 0.992 1.00 0.00 C ATOM 809 C GLU A 52 -9.006 1.809 1.628 1.00 0.00 C ATOM 810 O GLU A 52 -10.210 1.662 1.837 1.00 0.00 O ATOM 811 CB GLU A 52 -8.565 4.245 1.992 1.00 0.00 C ATOM 812 CG GLU A 52 -7.963 5.543 1.479 1.00 0.00 C ATOM 813 CD GLU A 52 -8.516 6.763 2.190 1.00 0.00 C ATOM 814 OE1 GLU A 52 -8.849 6.652 3.388 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.617 7.829 1.547 1.00 0.00 O ATOM 0 H GLU A 52 -10.099 3.881 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.427 2.934 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.612 4.414 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.059 3.958 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.881 5.512 1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.156 5.631 0.410 1.00 0.00 H new ATOM 822 N GLY A 53 -8.100 0.884 1.933 1.00 0.00 N ATOM 823 CA GLY A 53 -8.500 -0.372 2.540 1.00 0.00 C ATOM 824 C GLY A 53 -7.390 -0.995 3.365 1.00 0.00 C ATOM 825 O GLY A 53 -6.318 -0.410 3.518 1.00 0.00 O ATOM 0 H GLY A 53 -7.098 0.982 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.370 -0.205 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.804 -1.069 1.759 1.00 0.00 H new ATOM 829 N TRP A 54 -7.648 -2.183 3.897 1.00 0.00 N ATOM 830 CA TRP A 54 -6.662 -2.885 4.713 1.00 0.00 C ATOM 831 C TRP A 54 -5.894 -3.905 3.880 1.00 0.00 C ATOM 832 O TRP A 54 -6.488 -4.693 3.144 1.00 0.00 O ATOM 833 CB TRP A 54 -7.347 -3.581 5.890 1.00 0.00 C ATOM 834 CG TRP A 54 -7.628 -2.664 7.041 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.855 -2.306 7.525 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.664 -1.984 7.852 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.711 -1.447 8.587 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.376 -1.234 8.808 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.266 -1.938 7.864 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.737 -0.447 9.763 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.634 -1.157 8.813 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.369 -0.421 9.752 1.00 0.00 C ATOM 0 H TRP A 54 -8.530 -2.681 3.779 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.954 -2.150 5.097 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.284 -4.020 5.548 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.717 -4.402 6.234 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.800 -2.649 7.130 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.474 -1.035 9.124 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.691 -2.502 7.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.301 0.123 10.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.555 -1.113 8.831 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.845 0.179 10.482 1.00 0.00 H new ATOM 853 N ALA A 55 -4.571 -3.885 4.003 1.00 0.00 N ATOM 854 CA ALA A 55 -3.722 -4.811 3.262 1.00 0.00 C ATOM 855 C ALA A 55 -2.547 -5.280 4.115 1.00 0.00 C ATOM 856 O ALA A 55 -2.006 -4.535 4.931 1.00 0.00 O ATOM 857 CB ALA A 55 -3.221 -4.159 1.982 1.00 0.00 C ATOM 0 H ALA A 55 -4.064 -3.239 4.608 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.320 -5.684 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.589 -4.862 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.071 -3.880 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.644 -3.268 2.229 1.00 0.00 H new ATOM 863 N PRO A 56 -2.143 -6.544 3.923 1.00 0.00 N ATOM 864 CA PRO A 56 -1.029 -7.141 4.665 1.00 0.00 C ATOM 865 C PRO A 56 0.317 -6.546 4.266 1.00 0.00 C ATOM 866 O PRO A 56 0.702 -6.585 3.097 1.00 0.00 O ATOM 867 CB PRO A 56 -1.096 -8.621 4.278 1.00 0.00 C ATOM 868 CG PRO A 56 -1.767 -8.634 2.948 1.00 0.00 C ATOM 869 CD PRO A 56 -2.743 -7.489 2.965 1.00 0.00 C ATOM 0 HA PRO A 56 -1.112 -6.963 5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.100 -9.062 4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.660 -9.197 5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.041 -8.516 2.144 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.279 -9.581 2.779 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.856 -7.042 1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.734 -7.810 3.285 1.00 0.00 H new ATOM 877 N ALA A 57 1.030 -5.998 5.244 1.00 0.00 N ATOM 878 CA ALA A 57 2.335 -5.398 4.995 1.00 0.00 C ATOM 879 C ALA A 57 3.254 -6.367 4.258 1.00 0.00 C ATOM 880 O ALA A 57 4.238 -5.958 3.642 1.00 0.00 O ATOM 881 CB ALA A 57 2.972 -4.956 6.304 1.00 0.00 C ATOM 0 H ALA A 57 0.726 -5.957 6.217 1.00 0.00 H new ATOM 0 HA ALA A 57 2.189 -4.523 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.946 -4.510 6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.330 -4.222 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.097 -5.819 6.958 1.00 0.00 H new ATOM 887 N SER A 58 2.926 -7.654 4.326 1.00 0.00 N ATOM 888 CA SER A 58 3.724 -8.682 3.670 1.00 0.00 C ATOM 889 C SER A 58 3.692 -8.510 2.154 1.00 0.00 C ATOM 890 O SER A 58 4.654 -8.837 1.460 1.00 0.00 O ATOM 891 CB SER A 58 3.212 -10.074 4.047 1.00 0.00 C ATOM 892 OG SER A 58 4.245 -11.040 3.952 1.00 0.00 O ATOM 0 H SER A 58 2.113 -8.009 4.829 1.00 0.00 H new ATOM 0 HA SER A 58 4.755 -8.578 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.818 -10.057 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.388 -10.352 3.390 1.00 0.00 H new ATOM 0 HG SER A 58 3.893 -11.921 4.199 1.00 0.00 H new ATOM 898 N TYR A 59 2.579 -7.992 1.648 1.00 0.00 N ATOM 899 CA TYR A 59 2.418 -7.778 0.215 1.00 0.00 C ATOM 900 C TYR A 59 2.855 -6.370 -0.178 1.00 0.00 C ATOM 901 O TYR A 59 2.411 -5.829 -1.191 1.00 0.00 O ATOM 902 CB TYR A 59 0.962 -8.005 -0.197 1.00 0.00 C ATOM 903 CG TYR A 59 0.554 -9.461 -0.202 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.482 -10.186 0.981 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.242 -10.111 -1.389 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.111 -11.517 0.982 1.00 0.00 C ATOM 907 CE2 TYR A 59 -0.132 -11.440 -1.398 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.196 -12.139 -0.210 1.00 0.00 C ATOM 909 OH TYR A 59 -0.567 -13.464 -0.216 1.00 0.00 O ATOM 0 H TYR A 59 1.774 -7.712 2.209 1.00 0.00 H new ATOM 0 HA TYR A 59 3.052 -8.495 -0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.311 -7.456 0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.806 -7.589 -1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.720 -9.701 1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.293 -9.568 -2.321 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.062 -12.067 1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.373 -11.930 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.750 -13.748 -1.136 1.00 0.00 H new ATOM 919 N LEU A 60 3.730 -5.783 0.631 1.00 0.00 N ATOM 920 CA LEU A 60 4.231 -4.438 0.370 1.00 0.00 C ATOM 921 C LEU A 60 5.691 -4.308 0.792 1.00 0.00 C ATOM 922 O LEU A 60 6.119 -4.907 1.778 1.00 0.00 O ATOM 923 CB LEU A 60 3.381 -3.403 1.109 1.00 0.00 C ATOM 924 CG LEU A 60 1.868 -3.619 1.061 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.178 -2.804 2.143 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.320 -3.259 -0.311 1.00 0.00 C ATOM 0 H LEU A 60 4.107 -6.217 1.473 1.00 0.00 H new ATOM 0 HA LEU A 60 4.165 -4.255 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.692 -3.386 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.601 -2.419 0.694 1.00 0.00 H new ATOM 0 HG LEU A 60 1.666 -4.674 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.102 -2.970 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.548 -3.111 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.389 -1.745 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.242 -3.419 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.534 -2.212 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.791 -3.887 -1.067 1.00 0.00 H new ATOM 938 N LYS A 61 6.451 -3.520 0.038 1.00 0.00 N ATOM 939 CA LYS A 61 7.863 -3.309 0.335 1.00 0.00 C ATOM 940 C LYS A 61 8.245 -1.845 0.142 1.00 0.00 C ATOM 941 O LYS A 61 7.893 -1.227 -0.863 1.00 0.00 O ATOM 942 CB LYS A 61 8.732 -4.195 -0.559 1.00 0.00 C ATOM 943 CG LYS A 61 8.775 -3.742 -2.008 1.00 0.00 C ATOM 944 CD LYS A 61 9.711 -4.606 -2.836 1.00 0.00 C ATOM 945 CE LYS A 61 10.175 -3.883 -4.091 1.00 0.00 C ATOM 946 NZ LYS A 61 11.205 -4.663 -4.832 1.00 0.00 N ATOM 0 H LYS A 61 6.113 -3.017 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 61 8.034 -3.578 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.747 -4.212 -0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.356 -5.217 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.772 -3.781 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.101 -2.703 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.576 -4.885 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.204 -5.530 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.320 -3.700 -4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.583 -2.909 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.495 -4.136 -5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.032 -4.816 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.808 -5.582 -5.114 1.00 0.00 H new ATOM 960 N LYS A 62 8.969 -1.294 1.110 1.00 0.00 N ATOM 961 CA LYS A 62 9.403 0.097 1.047 1.00 0.00 C ATOM 962 C LYS A 62 10.115 0.385 -0.271 1.00 0.00 C ATOM 963 O LYS A 62 11.131 -0.234 -0.587 1.00 0.00 O ATOM 964 CB LYS A 62 10.331 0.417 2.221 1.00 0.00 C ATOM 965 CG LYS A 62 10.269 1.868 2.667 1.00 0.00 C ATOM 966 CD LYS A 62 11.551 2.293 3.362 1.00 0.00 C ATOM 967 CE LYS A 62 11.381 3.626 4.076 1.00 0.00 C ATOM 968 NZ LYS A 62 10.912 3.449 5.478 1.00 0.00 N ATOM 0 H LYS A 62 9.268 -1.790 1.949 1.00 0.00 H new ATOM 0 HA LYS A 62 8.518 0.731 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.072 -0.225 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.356 0.176 1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.093 2.508 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.425 2.006 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.847 1.529 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.355 2.371 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.330 4.162 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.667 4.242 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.809 4.380 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.994 2.960 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.605 2.883 6.007 1.00 0.00 H new ATOM 982 N ALA A 63 9.576 1.329 -1.035 1.00 0.00 N ATOM 983 CA ALA A 63 10.161 1.701 -2.317 1.00 0.00 C ATOM 984 C ALA A 63 11.354 2.633 -2.125 1.00 0.00 C ATOM 985 O ALA A 63 11.226 3.853 -2.238 1.00 0.00 O ATOM 986 CB ALA A 63 9.114 2.357 -3.206 1.00 0.00 C ATOM 0 H ALA A 63 8.735 1.850 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 63 10.516 0.793 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.566 2.629 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.294 1.659 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.731 3.253 -2.717 1.00 0.00 H new