USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 398 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 45 SER OG : rot -151:sc= 0.815 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= -2.07! USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.173 USER MOD Set 2.2: A 19 HIS :FLIP no HE2:sc= -0.21 F(o=-1.9,f=-0.38) USER MOD Single : A 13 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-2.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 39:sc= 0.844 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.19 (180deg=-1.41!) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.31 F(o=-2.6!,f=-1.3) USER MOD Single : A 37 SER OG : rot 21:sc= 0.291 USER MOD Single : A 42 LYS NZ :NH3+ -117:sc= 0.364 (180deg=-0.62) USER MOD Single : A 44 GLN : amide:sc= -1.97! C(o=-2!,f=-6.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 57 ASN : amide:sc= -0.034 K(o=-0.034,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 8 -0.985 -3.081 18.641 1.00 0.00 N ATOM 98 CA LEU A 8 0.338 -3.602 19.091 1.00 0.00 C ATOM 99 C LEU A 8 0.143 -4.674 20.166 1.00 0.00 C ATOM 100 O LEU A 8 -0.703 -4.553 21.030 1.00 0.00 O ATOM 101 CB LEU A 8 1.066 -2.389 19.670 1.00 0.00 C ATOM 102 CG LEU A 8 1.433 -1.425 18.540 1.00 0.00 C ATOM 103 CD1 LEU A 8 0.300 -0.417 18.340 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.720 -0.682 18.902 1.00 0.00 C ATOM 0 HA LEU A 8 0.899 -4.063 18.278 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.432 -1.886 20.400 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.966 -2.709 20.196 1.00 0.00 H new ATOM 0 HG LEU A 8 1.585 -1.987 17.618 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.562 0.270 17.535 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.617 -0.947 18.081 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.147 0.145 19.261 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.982 0.005 18.097 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.569 -0.120 19.824 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.527 -1.400 19.043 1.00 0.00 H new ATOM 116 N VAL A 9 0.917 -5.725 20.121 1.00 0.00 N ATOM 117 CA VAL A 9 0.767 -6.802 21.143 1.00 0.00 C ATOM 118 C VAL A 9 2.141 -7.296 21.605 1.00 0.00 C ATOM 119 O VAL A 9 3.146 -7.054 20.967 1.00 0.00 O ATOM 120 CB VAL A 9 0.010 -7.922 20.429 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.412 -7.458 20.113 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.733 -8.275 19.127 1.00 0.00 C ATOM 0 H VAL A 9 1.644 -5.885 19.424 1.00 0.00 H new ATOM 0 HA VAL A 9 0.242 -6.453 22.032 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.031 -8.801 21.073 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.951 -8.257 19.604 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.927 -7.206 21.040 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.373 -6.579 19.469 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.194 -9.074 18.617 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.774 -7.396 18.484 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.746 -8.607 19.352 1.00 0.00 H new ATOM 132 N ILE A 10 2.188 -7.990 22.709 1.00 0.00 N ATOM 133 CA ILE A 10 3.492 -8.509 23.212 1.00 0.00 C ATOM 134 C ILE A 10 3.509 -10.037 23.128 1.00 0.00 C ATOM 135 O ILE A 10 2.507 -10.689 23.347 1.00 0.00 O ATOM 136 CB ILE A 10 3.569 -8.047 24.667 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.542 -6.518 24.720 1.00 0.00 C ATOM 138 CG2 ILE A 10 4.867 -8.556 25.296 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.360 -6.061 26.169 1.00 0.00 C ATOM 0 H ILE A 10 1.379 -8.220 23.285 1.00 0.00 H new ATOM 0 HA ILE A 10 4.339 -8.147 22.629 1.00 0.00 H new ATOM 0 HB ILE A 10 2.717 -8.444 25.219 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.469 -6.113 24.313 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.729 -6.136 24.102 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.922 -8.227 26.334 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.886 -9.645 25.260 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.719 -8.159 24.744 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.341 -4.972 26.207 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.421 -6.455 26.559 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.188 -6.431 26.774 1.00 0.00 H new ATOM 151 N ALA A 11 4.634 -10.615 22.809 1.00 0.00 N ATOM 152 CA ALA A 11 4.700 -12.100 22.707 1.00 0.00 C ATOM 153 C ALA A 11 4.844 -12.727 24.096 1.00 0.00 C ATOM 154 O ALA A 11 5.871 -12.614 24.733 1.00 0.00 O ATOM 155 CB ALA A 11 5.942 -12.382 21.863 1.00 0.00 C ATOM 0 H ALA A 11 5.508 -10.125 22.615 1.00 0.00 H new ATOM 0 HA ALA A 11 3.797 -12.521 22.264 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.062 -13.458 21.741 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.830 -11.916 20.884 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.821 -11.973 22.361 1.00 0.00 H new ATOM 161 N LEU A 12 3.832 -13.400 24.568 1.00 0.00 N ATOM 162 CA LEU A 12 3.939 -14.041 25.908 1.00 0.00 C ATOM 163 C LEU A 12 4.944 -15.190 25.832 1.00 0.00 C ATOM 164 O LEU A 12 5.523 -15.598 26.820 1.00 0.00 O ATOM 165 CB LEU A 12 2.536 -14.569 26.214 1.00 0.00 C ATOM 166 CG LEU A 12 1.629 -13.400 26.603 1.00 0.00 C ATOM 167 CD1 LEU A 12 1.084 -12.734 25.338 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.465 -13.920 27.449 1.00 0.00 C ATOM 0 H LEU A 12 2.942 -13.533 24.088 1.00 0.00 H new ATOM 0 HA LEU A 12 4.281 -13.353 26.681 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.131 -15.084 25.343 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.578 -15.297 27.024 1.00 0.00 H new ATOM 0 HG LEU A 12 2.200 -12.671 27.178 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.438 -11.901 25.615 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.914 -12.365 24.735 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.512 -13.461 24.762 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.182 -13.088 27.727 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.106 -14.648 26.873 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.854 -14.394 28.350 1.00 0.00 H new ATOM 180 N HIS A 13 5.156 -15.708 24.652 1.00 0.00 N ATOM 181 CA HIS A 13 6.123 -16.827 24.477 1.00 0.00 C ATOM 182 C HIS A 13 6.582 -16.877 23.017 1.00 0.00 C ATOM 183 O HIS A 13 5.846 -16.526 22.118 1.00 0.00 O ATOM 184 CB HIS A 13 5.335 -18.084 24.836 1.00 0.00 C ATOM 185 CG HIS A 13 5.191 -18.178 26.330 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.260 -18.485 27.158 1.00 0.00 N ATOM 187 CD2 HIS A 13 4.111 -18.006 27.160 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.803 -18.489 28.423 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.500 -18.204 28.482 1.00 0.00 N ATOM 0 H HIS A 13 4.696 -15.400 23.795 1.00 0.00 H new ATOM 0 HA HIS A 13 7.014 -16.719 25.095 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.352 -18.056 24.367 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.846 -18.968 24.453 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.112 -17.755 26.837 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.416 -18.698 29.287 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.916 -18.144 29.316 1.00 0.00 H new ATOM 197 N SER A 14 7.786 -17.309 22.767 1.00 0.00 N ATOM 198 CA SER A 14 8.267 -17.373 21.356 1.00 0.00 C ATOM 199 C SER A 14 7.390 -18.334 20.547 1.00 0.00 C ATOM 200 O SER A 14 6.959 -19.355 21.043 1.00 0.00 O ATOM 201 CB SER A 14 9.699 -17.900 21.448 1.00 0.00 C ATOM 202 OG SER A 14 9.675 -19.286 21.753 1.00 0.00 O ATOM 0 H SER A 14 8.455 -17.619 23.472 1.00 0.00 H new ATOM 0 HA SER A 14 8.223 -16.404 20.858 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.220 -17.733 20.505 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.249 -17.357 22.217 1.00 0.00 H new ATOM 0 HG SER A 14 10.593 -19.624 21.810 1.00 0.00 H new ATOM 208 N TYR A 15 7.122 -18.021 19.307 1.00 0.00 N ATOM 209 CA TYR A 15 6.271 -18.934 18.489 1.00 0.00 C ATOM 210 C TYR A 15 7.143 -19.825 17.601 1.00 0.00 C ATOM 211 O TYR A 15 8.290 -19.524 17.335 1.00 0.00 O ATOM 212 CB TYR A 15 5.401 -18.017 17.631 1.00 0.00 C ATOM 213 CG TYR A 15 4.577 -18.857 16.686 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.513 -19.622 17.176 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.881 -18.875 15.320 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.751 -20.405 16.300 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.120 -19.658 14.443 1.00 0.00 C ATOM 218 CZ TYR A 15 3.055 -20.424 14.933 1.00 0.00 C ATOM 219 OH TYR A 15 2.306 -21.196 14.070 1.00 0.00 O ATOM 0 H TYR A 15 7.451 -17.182 18.829 1.00 0.00 H new ATOM 0 HA TYR A 15 5.671 -19.596 19.113 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.749 -17.416 18.265 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.027 -17.323 17.069 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.279 -19.609 18.230 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.703 -18.285 14.942 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.929 -20.994 16.679 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.354 -19.671 13.389 1.00 0.00 H new ATOM 0 HH TYR A 15 1.362 -21.155 14.330 1.00 0.00 H new ATOM 229 N GLU A 16 6.606 -20.921 17.140 1.00 0.00 N ATOM 230 CA GLU A 16 7.397 -21.834 16.266 1.00 0.00 C ATOM 231 C GLU A 16 6.928 -21.706 14.815 1.00 0.00 C ATOM 232 O GLU A 16 5.820 -22.080 14.484 1.00 0.00 O ATOM 233 CB GLU A 16 7.116 -23.238 16.802 1.00 0.00 C ATOM 234 CG GLU A 16 8.415 -24.047 16.821 1.00 0.00 C ATOM 235 CD GLU A 16 9.476 -23.291 17.623 1.00 0.00 C ATOM 236 OE1 GLU A 16 9.122 -22.317 18.267 1.00 0.00 O ATOM 237 OE2 GLU A 16 10.625 -23.698 17.580 1.00 0.00 O ATOM 0 H GLU A 16 5.651 -21.225 17.331 1.00 0.00 H new ATOM 0 HA GLU A 16 8.462 -21.602 16.278 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.698 -23.178 17.807 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.374 -23.736 16.177 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.239 -25.027 17.264 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.766 -24.216 15.803 1.00 0.00 H new ATOM 244 N PRO A 17 7.792 -21.172 13.996 1.00 0.00 N ATOM 245 CA PRO A 17 7.425 -20.999 12.567 1.00 0.00 C ATOM 246 C PRO A 17 7.412 -22.351 11.849 1.00 0.00 C ATOM 247 O PRO A 17 8.407 -22.785 11.305 1.00 0.00 O ATOM 248 CB PRO A 17 8.526 -20.104 12.009 1.00 0.00 C ATOM 249 CG PRO A 17 9.701 -20.335 12.901 1.00 0.00 C ATOM 250 CD PRO A 17 9.163 -20.709 14.257 1.00 0.00 C ATOM 0 HA PRO A 17 6.431 -20.572 12.436 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.758 -20.362 10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.225 -19.056 12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.334 -21.129 12.506 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.317 -19.438 12.965 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.764 -21.491 14.720 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.171 -19.856 14.936 1.00 0.00 H new ATOM 258 N SER A 18 6.291 -23.019 11.841 1.00 0.00 N ATOM 259 CA SER A 18 6.217 -24.340 11.155 1.00 0.00 C ATOM 260 C SER A 18 6.063 -24.143 9.645 1.00 0.00 C ATOM 261 O SER A 18 6.054 -25.089 8.882 1.00 0.00 O ATOM 262 CB SER A 18 4.979 -25.021 11.737 1.00 0.00 C ATOM 263 OG SER A 18 3.811 -24.375 11.248 1.00 0.00 O ATOM 0 H SER A 18 5.424 -22.708 12.279 1.00 0.00 H new ATOM 0 HA SER A 18 7.117 -24.935 11.307 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.967 -26.076 11.461 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.004 -24.976 12.826 1.00 0.00 H new ATOM 0 HG SER A 18 3.016 -24.812 11.619 1.00 0.00 H new ATOM 269 N HIS A 19 5.939 -22.919 9.207 1.00 0.00 N ATOM 270 CA HIS A 19 5.785 -22.661 7.747 1.00 0.00 C ATOM 271 C HIS A 19 6.770 -21.579 7.294 1.00 0.00 C ATOM 272 O HIS A 19 7.584 -21.106 8.064 1.00 0.00 O ATOM 273 CB HIS A 19 4.343 -22.179 7.582 1.00 0.00 C ATOM 274 CG HIS A 19 3.400 -23.275 7.996 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.445 -23.340 8.981 1.00 0.00 N flip ATOM 276 CD2 HIS A 19 3.371 -24.505 7.358 1.00 0.00 C flip ATOM 277 CE1 HIS A 19 1.833 -24.589 8.957 1.00 0.00 C flip ATOM 278 NE2 HIS A 19 2.427 -25.251 7.961 1.00 0.00 N flip ATOM 0 H HIS A 19 5.938 -22.087 9.797 1.00 0.00 H new ATOM 0 HA HIS A 19 5.990 -23.547 7.146 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.173 -21.290 8.189 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.158 -21.897 6.545 1.00 0.00 H new ATOM 0 HD1 HIS A 19 2.219 -22.587 9.631 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.992 -24.809 6.529 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.046 -24.947 9.605 1.00 0.00 H new ATOM 286 N ASP A 20 6.703 -21.183 6.052 1.00 0.00 N ATOM 287 CA ASP A 20 7.636 -20.132 5.552 1.00 0.00 C ATOM 288 C ASP A 20 6.999 -18.746 5.695 1.00 0.00 C ATOM 289 O ASP A 20 7.649 -17.734 5.531 1.00 0.00 O ATOM 290 CB ASP A 20 7.860 -20.471 4.079 1.00 0.00 C ATOM 291 CG ASP A 20 8.442 -21.881 3.962 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.942 -22.378 4.957 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.375 -22.441 2.879 1.00 0.00 O ATOM 0 H ASP A 20 6.043 -21.541 5.362 1.00 0.00 H new ATOM 0 HA ASP A 20 8.571 -20.109 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.918 -20.408 3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.539 -19.747 3.628 1.00 0.00 H new ATOM 298 N GLY A 21 5.731 -18.694 5.997 1.00 0.00 N ATOM 299 CA GLY A 21 5.055 -17.375 6.148 1.00 0.00 C ATOM 300 C GLY A 21 4.639 -17.178 7.608 1.00 0.00 C ATOM 301 O GLY A 21 3.636 -16.559 7.900 1.00 0.00 O ATOM 0 H GLY A 21 5.134 -19.508 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.726 -16.573 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.180 -17.327 5.500 1.00 0.00 H new ATOM 305 N ASP A 22 5.403 -17.703 8.527 1.00 0.00 N ATOM 306 CA ASP A 22 5.049 -17.547 9.967 1.00 0.00 C ATOM 307 C ASP A 22 6.143 -16.769 10.704 1.00 0.00 C ATOM 308 O ASP A 22 7.270 -16.690 10.259 1.00 0.00 O ATOM 309 CB ASP A 22 4.951 -18.976 10.506 1.00 0.00 C ATOM 310 CG ASP A 22 3.704 -19.652 9.934 1.00 0.00 C ATOM 311 OD1 ASP A 22 2.970 -18.988 9.219 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.505 -20.821 10.218 1.00 0.00 O ATOM 0 H ASP A 22 6.255 -18.232 8.344 1.00 0.00 H new ATOM 0 HA ASP A 22 4.121 -16.993 10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.842 -19.541 10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.904 -18.963 11.595 1.00 0.00 H new ATOM 317 N LEU A 23 5.816 -16.197 11.831 1.00 0.00 N ATOM 318 CA LEU A 23 6.835 -15.426 12.602 1.00 0.00 C ATOM 319 C LEU A 23 7.118 -16.129 13.934 1.00 0.00 C ATOM 320 O LEU A 23 6.243 -16.288 14.760 1.00 0.00 O ATOM 321 CB LEU A 23 6.199 -14.055 12.836 1.00 0.00 C ATOM 322 CG LEU A 23 7.270 -13.069 13.312 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.476 -13.129 12.372 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.693 -11.653 13.310 1.00 0.00 C ATOM 0 H LEU A 23 4.887 -16.230 12.252 1.00 0.00 H new ATOM 0 HA LEU A 23 7.786 -15.344 12.076 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.740 -13.693 11.916 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.405 -14.133 13.579 1.00 0.00 H new ATOM 0 HG LEU A 23 7.584 -13.334 14.321 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.237 -12.427 12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.887 -14.138 12.372 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.163 -12.864 11.362 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.454 -10.950 13.649 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.379 -11.390 12.300 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.834 -11.609 13.980 1.00 0.00 H new ATOM 336 N GLY A 24 8.334 -16.551 14.147 1.00 0.00 N ATOM 337 CA GLY A 24 8.671 -17.247 15.423 1.00 0.00 C ATOM 338 C GLY A 24 9.267 -16.249 16.416 1.00 0.00 C ATOM 339 O GLY A 24 10.313 -16.479 16.988 1.00 0.00 O ATOM 0 H GLY A 24 9.110 -16.444 13.493 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.776 -17.704 15.846 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.381 -18.052 15.232 1.00 0.00 H new ATOM 343 N PHE A 25 8.614 -15.139 16.622 1.00 0.00 N ATOM 344 CA PHE A 25 9.141 -14.120 17.574 1.00 0.00 C ATOM 345 C PHE A 25 9.548 -14.771 18.897 1.00 0.00 C ATOM 346 O PHE A 25 9.273 -15.929 19.142 1.00 0.00 O ATOM 347 CB PHE A 25 7.980 -13.144 17.788 1.00 0.00 C ATOM 348 CG PHE A 25 6.744 -13.896 18.236 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.854 -14.417 17.287 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.482 -14.062 19.602 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.708 -15.106 17.704 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.335 -14.748 20.017 1.00 0.00 C ATOM 353 CZ PHE A 25 4.448 -15.271 19.069 1.00 0.00 C ATOM 0 H PHE A 25 7.734 -14.892 16.170 1.00 0.00 H new ATOM 0 HA PHE A 25 10.031 -13.623 17.189 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.253 -12.400 18.536 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.772 -12.605 16.863 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.052 -14.287 16.233 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.166 -13.660 20.335 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.025 -15.510 16.972 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.134 -14.874 21.071 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.564 -15.801 19.391 1.00 0.00 H new ATOM 363 N GLU A 26 10.206 -14.033 19.749 1.00 0.00 N ATOM 364 CA GLU A 26 10.637 -14.601 21.058 1.00 0.00 C ATOM 365 C GLU A 26 9.693 -14.140 22.172 1.00 0.00 C ATOM 366 O GLU A 26 8.765 -13.387 21.944 1.00 0.00 O ATOM 367 CB GLU A 26 12.044 -14.048 21.286 1.00 0.00 C ATOM 368 CG GLU A 26 12.974 -14.549 20.179 1.00 0.00 C ATOM 369 CD GLU A 26 13.039 -16.078 20.221 1.00 0.00 C ATOM 370 OE1 GLU A 26 12.681 -16.638 21.243 1.00 0.00 O ATOM 371 OE2 GLU A 26 13.446 -16.660 19.229 1.00 0.00 O ATOM 0 H GLU A 26 10.464 -13.058 19.594 1.00 0.00 H new ATOM 0 HA GLU A 26 10.622 -15.691 21.060 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.022 -12.958 21.291 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.417 -14.364 22.260 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.612 -14.216 19.206 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.971 -14.128 20.309 1.00 0.00 H new ATOM 378 N LYS A 27 9.924 -14.582 23.379 1.00 0.00 N ATOM 379 CA LYS A 27 9.042 -14.169 24.506 1.00 0.00 C ATOM 380 C LYS A 27 9.266 -12.693 24.845 1.00 0.00 C ATOM 381 O LYS A 27 10.369 -12.271 25.128 1.00 0.00 O ATOM 382 CB LYS A 27 9.458 -15.059 25.678 1.00 0.00 C ATOM 383 CG LYS A 27 8.580 -14.750 26.892 1.00 0.00 C ATOM 384 CD LYS A 27 8.950 -15.691 28.041 1.00 0.00 C ATOM 385 CE LYS A 27 7.936 -15.533 29.177 1.00 0.00 C ATOM 386 NZ LYS A 27 7.798 -14.060 29.362 1.00 0.00 N ATOM 0 H LYS A 27 10.686 -15.211 23.632 1.00 0.00 H new ATOM 0 HA LYS A 27 7.985 -14.279 24.264 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.360 -16.109 25.403 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.507 -14.890 25.922 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.716 -13.713 27.199 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.528 -14.870 26.634 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.962 -16.723 27.691 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.954 -15.465 28.401 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.981 -15.991 28.921 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.286 -16.015 30.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.423 -13.863 30.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.729 -13.608 29.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.146 -13.680 28.647 1.00 0.00 H new ATOM 400 N GLY A 28 8.224 -11.909 24.822 1.00 0.00 N ATOM 401 CA GLY A 28 8.369 -10.464 25.146 1.00 0.00 C ATOM 402 C GLY A 28 8.570 -9.666 23.857 1.00 0.00 C ATOM 403 O GLY A 28 8.570 -8.452 23.862 1.00 0.00 O ATOM 0 H GLY A 28 7.276 -12.208 24.592 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.483 -10.108 25.671 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.217 -10.314 25.814 1.00 0.00 H new ATOM 407 N GLU A 29 8.748 -10.336 22.751 1.00 0.00 N ATOM 408 CA GLU A 29 8.956 -9.604 21.469 1.00 0.00 C ATOM 409 C GLU A 29 7.682 -8.858 21.069 1.00 0.00 C ATOM 410 O GLU A 29 6.617 -9.435 20.967 1.00 0.00 O ATOM 411 CB GLU A 29 9.289 -10.685 20.440 1.00 0.00 C ATOM 412 CG GLU A 29 9.700 -10.021 19.123 1.00 0.00 C ATOM 413 CD GLU A 29 10.135 -11.095 18.123 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.877 -11.979 18.518 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.718 -11.013 16.979 1.00 0.00 O ATOM 0 H GLU A 29 8.758 -11.353 22.679 1.00 0.00 H new ATOM 0 HA GLU A 29 9.748 -8.859 21.547 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.096 -11.318 20.809 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.425 -11.330 20.281 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.867 -9.447 18.717 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.516 -9.319 19.296 1.00 0.00 H new ATOM 422 N GLN A 30 7.782 -7.577 20.839 1.00 0.00 N ATOM 423 CA GLN A 30 6.578 -6.796 20.441 1.00 0.00 C ATOM 424 C GLN A 30 6.293 -7.003 18.952 1.00 0.00 C ATOM 425 O GLN A 30 7.192 -7.020 18.136 1.00 0.00 O ATOM 426 CB GLN A 30 6.936 -5.336 20.720 1.00 0.00 C ATOM 427 CG GLN A 30 7.116 -5.131 22.226 1.00 0.00 C ATOM 428 CD GLN A 30 7.473 -3.670 22.501 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.904 -2.960 21.614 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.308 -3.185 23.701 1.00 0.00 N ATOM 0 H GLN A 30 8.645 -7.038 20.910 1.00 0.00 H new ATOM 0 HA GLN A 30 5.686 -7.104 20.986 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.853 -5.069 20.194 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.150 -4.680 20.345 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.200 -5.398 22.753 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.902 -5.786 22.602 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.946 -3.780 24.446 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.541 -2.211 23.894 1.00 0.00 H new ATOM 439 N LEU A 31 5.050 -7.164 18.592 1.00 0.00 N ATOM 440 CA LEU A 31 4.717 -7.373 17.154 1.00 0.00 C ATOM 441 C LEU A 31 3.484 -6.552 16.767 1.00 0.00 C ATOM 442 O LEU A 31 2.692 -6.168 17.605 1.00 0.00 O ATOM 443 CB LEU A 31 4.419 -8.868 17.028 1.00 0.00 C ATOM 444 CG LEU A 31 5.563 -9.678 17.641 1.00 0.00 C ATOM 445 CD1 LEU A 31 5.118 -11.129 17.824 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.778 -9.630 16.710 1.00 0.00 C ATOM 0 H LEU A 31 4.253 -7.160 19.228 1.00 0.00 H new ATOM 0 HA LEU A 31 5.528 -7.059 16.497 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.482 -9.105 17.532 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.293 -9.136 15.979 1.00 0.00 H new ATOM 0 HG LEU A 31 5.830 -9.255 18.609 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.932 -11.707 18.261 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.253 -11.163 18.486 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.851 -11.553 16.856 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.594 -10.207 17.146 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.511 -10.053 15.742 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.095 -8.595 16.579 1.00 0.00 H new ATOM 458 N ARG A 32 3.314 -6.290 15.501 1.00 0.00 N ATOM 459 CA ARG A 32 2.129 -5.507 15.051 1.00 0.00 C ATOM 460 C ARG A 32 1.078 -6.457 14.472 1.00 0.00 C ATOM 461 O ARG A 32 1.386 -7.317 13.672 1.00 0.00 O ATOM 462 CB ARG A 32 2.661 -4.567 13.970 1.00 0.00 C ATOM 463 CG ARG A 32 1.491 -4.003 13.162 1.00 0.00 C ATOM 464 CD ARG A 32 2.029 -3.167 11.999 1.00 0.00 C ATOM 465 NE ARG A 32 0.885 -2.307 11.586 1.00 0.00 N ATOM 466 CZ ARG A 32 1.028 -1.010 11.539 1.00 0.00 C ATOM 467 NH1 ARG A 32 0.430 -0.256 12.420 1.00 0.00 N ATOM 468 NH2 ARG A 32 1.768 -0.468 10.610 1.00 0.00 N ATOM 0 H ARG A 32 3.946 -6.585 14.757 1.00 0.00 H new ATOM 0 HA ARG A 32 1.655 -4.956 15.864 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.227 -3.755 14.426 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.346 -5.103 13.313 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.872 -4.816 12.783 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.856 -3.390 13.801 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.885 -2.566 12.307 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.364 -3.801 11.178 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.009 -2.731 11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.149 -0.680 13.145 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.541 0.757 12.384 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.234 -1.058 9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.880 0.545 10.573 1.00 0.00 H new ATOM 482 N ILE A 33 -0.156 -6.316 14.870 1.00 0.00 N ATOM 483 CA ILE A 33 -1.214 -7.224 14.338 1.00 0.00 C ATOM 484 C ILE A 33 -1.536 -6.873 12.884 1.00 0.00 C ATOM 485 O ILE A 33 -2.038 -5.805 12.587 1.00 0.00 O ATOM 486 CB ILE A 33 -2.431 -6.983 15.233 1.00 0.00 C ATOM 487 CG1 ILE A 33 -2.009 -7.061 16.702 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.490 -8.052 14.948 1.00 0.00 C ATOM 489 CD1 ILE A 33 -3.254 -7.138 17.590 1.00 0.00 C ATOM 0 H ILE A 33 -0.478 -5.615 15.537 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.902 -8.268 14.347 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.845 -5.996 15.027 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.379 -7.936 16.864 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.414 -6.187 16.967 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.358 -7.883 15.585 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.791 -7.997 13.902 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.076 -9.039 15.155 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.952 -7.194 18.636 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.866 -6.250 17.436 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.831 -8.026 17.331 1.00 0.00 H new ATOM 501 N LEU A 34 -1.256 -7.766 11.973 1.00 0.00 N ATOM 502 CA LEU A 34 -1.550 -7.487 10.539 1.00 0.00 C ATOM 503 C LEU A 34 -3.016 -7.807 10.235 1.00 0.00 C ATOM 504 O LEU A 34 -3.671 -7.116 9.481 1.00 0.00 O ATOM 505 CB LEU A 34 -0.627 -8.418 9.751 1.00 0.00 C ATOM 506 CG LEU A 34 0.788 -7.840 9.723 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.743 -8.867 9.111 1.00 0.00 C ATOM 508 CD2 LEU A 34 0.803 -6.563 8.879 1.00 0.00 C ATOM 0 H LEU A 34 -0.836 -8.677 12.161 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.387 -6.441 10.280 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.617 -9.408 10.208 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.000 -8.540 8.734 1.00 0.00 H new ATOM 0 HG LEU A 34 1.106 -7.606 10.739 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.753 -8.457 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.733 -9.776 9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.424 -9.100 8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.812 -6.152 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.486 -6.795 7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.121 -5.832 9.313 1.00 0.00 H new ATOM 520 N GLU A 35 -3.534 -8.855 10.818 1.00 0.00 N ATOM 521 CA GLU A 35 -4.958 -9.221 10.563 1.00 0.00 C ATOM 522 C GLU A 35 -5.564 -9.887 11.801 1.00 0.00 C ATOM 523 O GLU A 35 -4.871 -10.210 12.746 1.00 0.00 O ATOM 524 CB GLU A 35 -4.908 -10.205 9.393 1.00 0.00 C ATOM 525 CG GLU A 35 -4.216 -9.544 8.200 1.00 0.00 C ATOM 526 CD GLU A 35 -4.248 -10.494 7.000 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.484 -11.672 7.209 1.00 0.00 O ATOM 528 OE2 GLU A 35 -4.037 -10.026 5.893 1.00 0.00 O ATOM 0 H GLU A 35 -3.034 -9.472 11.458 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.575 -8.351 10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.370 -11.107 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.917 -10.511 9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.715 -8.608 7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.185 -9.298 8.455 1.00 0.00 H new ATOM 535 N GLN A 36 -6.852 -10.096 11.804 1.00 0.00 N ATOM 536 CA GLN A 36 -7.501 -10.741 12.981 1.00 0.00 C ATOM 537 C GLN A 36 -8.693 -11.588 12.529 1.00 0.00 C ATOM 538 O GLN A 36 -9.818 -11.355 12.922 1.00 0.00 O ATOM 539 CB GLN A 36 -7.969 -9.581 13.860 1.00 0.00 C ATOM 540 CG GLN A 36 -6.753 -8.818 14.387 1.00 0.00 C ATOM 541 CD GLN A 36 -7.220 -7.633 15.235 1.00 0.00 C ATOM 542 OE1 GLN A 36 -6.525 -7.282 16.281 1.00 0.00 O flip ATOM 543 NE2 GLN A 36 -8.228 -7.023 14.942 1.00 0.00 N flip ATOM 0 H GLN A 36 -7.483 -9.848 11.042 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.822 -11.407 13.514 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.611 -8.912 13.287 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.564 -9.958 14.692 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.126 -9.480 14.983 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.143 -8.465 13.555 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.771 -7.298 14.124 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.532 -6.235 15.514 1.00 0.00 H new ATOM 552 N SER A 37 -8.453 -12.573 11.705 1.00 0.00 N ATOM 553 CA SER A 37 -9.571 -13.434 11.226 1.00 0.00 C ATOM 554 C SER A 37 -9.213 -14.912 11.401 1.00 0.00 C ATOM 555 O SER A 37 -8.111 -15.332 11.105 1.00 0.00 O ATOM 556 CB SER A 37 -9.729 -13.091 9.746 1.00 0.00 C ATOM 557 OG SER A 37 -8.524 -13.398 9.059 1.00 0.00 O ATOM 0 H SER A 37 -7.531 -12.818 11.344 1.00 0.00 H new ATOM 0 HA SER A 37 -10.492 -13.263 11.784 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.558 -13.654 9.318 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.968 -12.034 9.630 1.00 0.00 H new ATOM 0 HG SER A 37 -8.004 -14.043 9.582 1.00 0.00 H new ATOM 563 N GLY A 38 -10.134 -15.704 11.877 1.00 0.00 N ATOM 564 CA GLY A 38 -9.843 -17.153 12.069 1.00 0.00 C ATOM 565 C GLY A 38 -9.190 -17.366 13.435 1.00 0.00 C ATOM 566 O GLY A 38 -9.126 -16.468 14.251 1.00 0.00 O ATOM 0 H GLY A 38 -11.075 -15.411 12.141 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.764 -17.732 12.000 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.182 -17.510 11.279 1.00 0.00 H new ATOM 570 N GLU A 39 -8.705 -18.549 13.693 1.00 0.00 N ATOM 571 CA GLU A 39 -8.057 -18.820 15.008 1.00 0.00 C ATOM 572 C GLU A 39 -6.659 -18.197 15.050 1.00 0.00 C ATOM 573 O GLU A 39 -6.187 -17.779 16.089 1.00 0.00 O ATOM 574 CB GLU A 39 -7.971 -20.344 15.099 1.00 0.00 C ATOM 575 CG GLU A 39 -9.382 -20.934 15.096 1.00 0.00 C ATOM 576 CD GLU A 39 -9.298 -22.458 15.208 1.00 0.00 C ATOM 577 OE1 GLU A 39 -8.205 -22.982 15.078 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.330 -23.073 15.424 1.00 0.00 O ATOM 0 H GLU A 39 -8.729 -19.340 13.050 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.617 -18.393 15.840 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.399 -20.738 14.259 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.445 -20.636 16.008 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.959 -20.529 15.927 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.903 -20.654 14.180 1.00 0.00 H new ATOM 585 N TRP A 40 -5.994 -18.130 13.930 1.00 0.00 N ATOM 586 CA TRP A 40 -4.627 -17.531 13.909 1.00 0.00 C ATOM 587 C TRP A 40 -4.691 -16.093 13.388 1.00 0.00 C ATOM 588 O TRP A 40 -5.534 -15.752 12.583 1.00 0.00 O ATOM 589 CB TRP A 40 -3.822 -18.412 12.954 1.00 0.00 C ATOM 590 CG TRP A 40 -3.671 -19.777 13.543 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.576 -20.776 13.433 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.567 -20.311 14.330 1.00 0.00 C ATOM 593 NE1 TRP A 40 -4.098 -21.888 14.102 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.863 -21.651 14.671 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.349 -19.766 14.776 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.982 -22.425 15.429 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.460 -20.542 15.537 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.776 -21.868 15.863 1.00 0.00 C ATOM 0 H TRP A 40 -6.336 -18.463 13.029 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.177 -17.491 14.901 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.325 -18.474 11.989 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.841 -17.971 12.775 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.518 -20.715 12.908 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.597 -22.775 14.167 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.096 -18.745 14.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.231 -23.446 15.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.473 -20.114 15.873 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.088 -22.459 16.449 1.00 0.00 H new ATOM 609 N TRP A 41 -3.807 -15.247 13.841 1.00 0.00 N ATOM 610 CA TRP A 41 -3.823 -13.830 13.370 1.00 0.00 C ATOM 611 C TRP A 41 -2.498 -13.479 12.686 1.00 0.00 C ATOM 612 O TRP A 41 -1.466 -14.050 12.980 1.00 0.00 O ATOM 613 CB TRP A 41 -4.001 -12.991 14.635 1.00 0.00 C ATOM 614 CG TRP A 41 -5.414 -13.092 15.111 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.441 -13.605 14.396 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.972 -12.679 16.391 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.595 -13.533 15.158 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.356 -12.970 16.396 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.414 -12.085 17.539 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.160 -12.683 17.499 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.220 -11.795 18.651 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.590 -12.093 18.632 1.00 0.00 C ATOM 0 H TRP A 41 -3.076 -15.473 14.515 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.615 -13.652 12.643 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.320 -13.338 15.412 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.749 -11.950 14.431 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.372 -14.005 13.395 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.510 -13.856 14.843 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.360 -11.851 17.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.215 -12.915 17.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.782 -11.339 19.527 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.204 -11.867 19.491 1.00 0.00 H new ATOM 633 N LYS A 42 -2.519 -12.536 11.784 1.00 0.00 N ATOM 634 CA LYS A 42 -1.260 -12.139 11.092 1.00 0.00 C ATOM 635 C LYS A 42 -0.566 -11.029 11.883 1.00 0.00 C ATOM 636 O LYS A 42 -1.208 -10.164 12.446 1.00 0.00 O ATOM 637 CB LYS A 42 -1.705 -11.626 9.722 1.00 0.00 C ATOM 638 CG LYS A 42 -0.527 -11.690 8.747 1.00 0.00 C ATOM 639 CD LYS A 42 -1.001 -11.299 7.346 1.00 0.00 C ATOM 640 CE LYS A 42 0.158 -11.439 6.357 1.00 0.00 C ATOM 641 NZ LYS A 42 0.324 -12.907 6.168 1.00 0.00 N ATOM 0 H LYS A 42 -3.353 -12.024 11.497 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.553 -12.964 11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.534 -12.227 9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.067 -10.601 9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.266 -11.018 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.107 -12.696 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.832 -11.935 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.369 -10.273 7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.066 -10.942 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.069 -10.985 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.264 -13.197 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.409 -13.411 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.233 -13.139 5.158 1.00 0.00 H new ATOM 655 N ALA A 43 0.739 -11.044 11.936 1.00 0.00 N ATOM 656 CA ALA A 43 1.459 -9.985 12.701 1.00 0.00 C ATOM 657 C ALA A 43 2.680 -9.486 11.922 1.00 0.00 C ATOM 658 O ALA A 43 3.200 -10.165 11.061 1.00 0.00 O ATOM 659 CB ALA A 43 1.896 -10.665 13.999 1.00 0.00 C ATOM 0 H ALA A 43 1.335 -11.739 11.486 1.00 0.00 H new ATOM 0 HA ALA A 43 0.829 -9.114 12.882 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.435 -9.950 14.621 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.018 -11.023 14.536 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.547 -11.507 13.767 1.00 0.00 H new ATOM 665 N GLN A 44 3.140 -8.303 12.228 1.00 0.00 N ATOM 666 CA GLN A 44 4.330 -7.753 11.517 1.00 0.00 C ATOM 667 C GLN A 44 5.365 -7.264 12.532 1.00 0.00 C ATOM 668 O GLN A 44 5.029 -6.652 13.527 1.00 0.00 O ATOM 669 CB GLN A 44 3.794 -6.578 10.697 1.00 0.00 C ATOM 670 CG GLN A 44 4.895 -6.058 9.770 1.00 0.00 C ATOM 671 CD GLN A 44 4.388 -4.826 9.017 1.00 0.00 C ATOM 672 OE1 GLN A 44 3.199 -4.583 8.958 1.00 0.00 O ATOM 673 NE2 GLN A 44 5.246 -4.034 8.436 1.00 0.00 N ATOM 0 H GLN A 44 2.742 -7.692 12.941 1.00 0.00 H new ATOM 0 HA GLN A 44 4.819 -8.499 10.890 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.930 -6.893 10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.456 -5.782 11.360 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.783 -5.804 10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.187 -6.835 9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.244 -4.239 8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.919 -3.210 7.932 1.00 0.00 H new ATOM 682 N SER A 45 6.621 -7.527 12.294 1.00 0.00 N ATOM 683 CA SER A 45 7.667 -7.071 13.252 1.00 0.00 C ATOM 684 C SER A 45 7.963 -5.586 13.036 1.00 0.00 C ATOM 685 O SER A 45 8.026 -5.112 11.920 1.00 0.00 O ATOM 686 CB SER A 45 8.897 -7.918 12.927 1.00 0.00 C ATOM 687 OG SER A 45 9.809 -7.863 14.015 1.00 0.00 O ATOM 0 H SER A 45 6.967 -8.036 11.481 1.00 0.00 H new ATOM 0 HA SER A 45 7.358 -7.186 14.291 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.602 -8.950 12.738 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.375 -7.551 12.019 1.00 0.00 H new ATOM 0 HG SER A 45 10.723 -7.978 13.682 1.00 0.00 H new ATOM 693 N LEU A 46 8.151 -4.849 14.095 1.00 0.00 N ATOM 694 CA LEU A 46 8.449 -3.396 13.947 1.00 0.00 C ATOM 695 C LEU A 46 9.963 -3.175 13.923 1.00 0.00 C ATOM 696 O LEU A 46 10.441 -2.113 13.580 1.00 0.00 O ATOM 697 CB LEU A 46 7.826 -2.735 15.177 1.00 0.00 C ATOM 698 CG LEU A 46 6.316 -2.980 15.178 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.675 -2.210 16.334 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.721 -2.498 13.853 1.00 0.00 C ATOM 0 H LEU A 46 8.111 -5.189 15.056 1.00 0.00 H new ATOM 0 HA LEU A 46 8.051 -2.981 13.021 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.271 -3.140 16.086 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.031 -1.665 15.171 1.00 0.00 H new ATOM 0 HG LEU A 46 6.121 -4.046 15.299 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.599 -2.384 16.335 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.099 -2.552 17.278 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.870 -1.144 16.214 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.645 -2.672 13.853 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.916 -1.432 13.733 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.177 -3.046 13.029 1.00 0.00 H new ATOM 712 N THR A 47 10.718 -4.175 14.287 1.00 0.00 N ATOM 713 CA THR A 47 12.201 -4.029 14.289 1.00 0.00 C ATOM 714 C THR A 47 12.799 -4.651 13.024 1.00 0.00 C ATOM 715 O THR A 47 13.866 -4.273 12.583 1.00 0.00 O ATOM 716 CB THR A 47 12.671 -4.785 15.533 1.00 0.00 C ATOM 717 OG1 THR A 47 12.093 -4.195 16.689 1.00 0.00 O ATOM 718 CG2 THR A 47 14.195 -4.715 15.630 1.00 0.00 C ATOM 0 H THR A 47 10.372 -5.087 14.583 1.00 0.00 H new ATOM 0 HA THR A 47 12.512 -2.984 14.304 1.00 0.00 H new ATOM 0 HB THR A 47 12.362 -5.828 15.463 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.391 -4.679 17.487 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.528 -5.254 16.517 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.637 -5.168 14.743 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.508 -3.673 15.700 1.00 0.00 H new ATOM 726 N THR A 48 12.126 -5.605 12.436 1.00 0.00 N ATOM 727 CA THR A 48 12.670 -6.244 11.204 1.00 0.00 C ATOM 728 C THR A 48 11.769 -5.942 10.004 1.00 0.00 C ATOM 729 O THR A 48 12.141 -6.157 8.868 1.00 0.00 O ATOM 730 CB THR A 48 12.679 -7.743 11.505 1.00 0.00 C ATOM 731 OG1 THR A 48 11.381 -8.150 11.918 1.00 0.00 O ATOM 732 CG2 THR A 48 13.686 -8.037 12.616 1.00 0.00 C ATOM 0 H THR A 48 11.227 -5.967 12.755 1.00 0.00 H new ATOM 0 HA THR A 48 13.664 -5.872 10.953 1.00 0.00 H new ATOM 0 HB THR A 48 12.963 -8.292 10.607 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.385 -9.111 12.110 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.691 -9.106 12.829 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.681 -7.726 12.297 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.406 -7.489 13.516 1.00 0.00 H new ATOM 740 N GLY A 49 10.586 -5.447 10.246 1.00 0.00 N ATOM 741 CA GLY A 49 9.667 -5.139 9.116 1.00 0.00 C ATOM 742 C GLY A 49 9.288 -6.440 8.406 1.00 0.00 C ATOM 743 O GLY A 49 9.308 -6.528 7.195 1.00 0.00 O ATOM 0 H GLY A 49 10.218 -5.243 11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.772 -4.639 9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.148 -4.456 8.416 1.00 0.00 H new ATOM 747 N GLN A 50 8.945 -7.452 9.155 1.00 0.00 N ATOM 748 CA GLN A 50 8.566 -8.750 8.528 1.00 0.00 C ATOM 749 C GLN A 50 7.138 -9.132 8.927 1.00 0.00 C ATOM 750 O GLN A 50 6.658 -8.760 9.979 1.00 0.00 O ATOM 751 CB GLN A 50 9.566 -9.765 9.080 1.00 0.00 C ATOM 752 CG GLN A 50 10.696 -9.971 8.069 1.00 0.00 C ATOM 753 CD GLN A 50 11.799 -10.821 8.702 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.637 -11.335 9.790 1.00 0.00 O ATOM 755 NE2 GLN A 50 12.923 -10.992 8.062 1.00 0.00 N ATOM 0 H GLN A 50 8.911 -7.436 10.174 1.00 0.00 H new ATOM 0 HA GLN A 50 8.591 -8.705 7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.972 -9.413 10.028 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.066 -10.712 9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.313 -10.461 7.174 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.099 -9.008 7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.060 -10.561 7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.665 -11.557 8.476 1.00 0.00 H new ATOM 764 N GLU A 51 6.458 -9.871 8.096 1.00 0.00 N ATOM 765 CA GLU A 51 5.063 -10.275 8.430 1.00 0.00 C ATOM 766 C GLU A 51 4.972 -11.797 8.564 1.00 0.00 C ATOM 767 O GLU A 51 5.487 -12.535 7.746 1.00 0.00 O ATOM 768 CB GLU A 51 4.217 -9.786 7.254 1.00 0.00 C ATOM 769 CG GLU A 51 4.350 -8.267 7.127 1.00 0.00 C ATOM 770 CD GLU A 51 3.574 -7.787 5.899 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.071 -8.630 5.174 1.00 0.00 O ATOM 772 OE2 GLU A 51 3.495 -6.586 5.705 1.00 0.00 O ATOM 0 H GLU A 51 6.807 -10.213 7.201 1.00 0.00 H new ATOM 0 HA GLU A 51 4.725 -9.853 9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.543 -10.269 6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.173 -10.059 7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.967 -7.782 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.400 -7.990 7.038 1.00 0.00 H new ATOM 779 N GLY A 52 4.320 -12.273 9.588 1.00 0.00 N ATOM 780 CA GLY A 52 4.195 -13.745 9.773 1.00 0.00 C ATOM 781 C GLY A 52 2.955 -14.049 10.613 1.00 0.00 C ATOM 782 O GLY A 52 2.533 -13.251 11.427 1.00 0.00 O ATOM 0 H GLY A 52 3.868 -11.706 10.305 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.121 -14.239 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.085 -14.138 10.264 1.00 0.00 H new ATOM 786 N PHE A 53 2.367 -15.198 10.426 1.00 0.00 N ATOM 787 CA PHE A 53 1.155 -15.552 11.217 1.00 0.00 C ATOM 788 C PHE A 53 1.537 -15.813 12.676 1.00 0.00 C ATOM 789 O PHE A 53 2.583 -16.360 12.966 1.00 0.00 O ATOM 790 CB PHE A 53 0.615 -16.825 10.566 1.00 0.00 C ATOM 791 CG PHE A 53 0.137 -16.510 9.169 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.993 -15.706 8.981 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.826 -17.021 8.062 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.435 -15.411 7.685 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.384 -16.727 6.767 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.747 -15.922 6.578 1.00 0.00 C ATOM 0 H PHE A 53 2.673 -15.907 9.760 1.00 0.00 H new ATOM 0 HA PHE A 53 0.414 -14.753 11.221 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.393 -17.588 10.533 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.204 -17.231 11.160 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.524 -15.313 9.835 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.698 -17.642 8.208 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.306 -14.790 7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.915 -17.121 5.913 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.088 -15.696 5.579 1.00 0.00 H new ATOM 806 N ILE A 54 0.697 -15.428 13.596 1.00 0.00 N ATOM 807 CA ILE A 54 1.012 -15.654 15.036 1.00 0.00 C ATOM 808 C ILE A 54 -0.239 -16.121 15.781 1.00 0.00 C ATOM 809 O ILE A 54 -1.308 -15.569 15.607 1.00 0.00 O ATOM 810 CB ILE A 54 1.472 -14.293 15.559 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.318 -13.293 15.466 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.649 -13.794 14.719 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.259 -13.047 16.862 1.00 0.00 C ATOM 0 H ILE A 54 -0.194 -14.967 13.414 1.00 0.00 H new ATOM 0 HA ILE A 54 1.772 -16.422 15.178 1.00 0.00 H new ATOM 0 HB ILE A 54 1.784 -14.391 16.599 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.669 -12.355 15.036 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.457 -13.677 14.803 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.977 -12.824 15.092 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.472 -14.506 14.787 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.338 -13.697 13.679 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.081 -12.334 16.795 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.626 -13.987 17.275 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.518 -12.644 17.511 1.00 0.00 H new ATOM 825 N PRO A 55 -0.063 -17.129 16.590 1.00 0.00 N ATOM 826 CA PRO A 55 -1.226 -17.647 17.354 1.00 0.00 C ATOM 827 C PRO A 55 -1.819 -16.542 18.232 1.00 0.00 C ATOM 828 O PRO A 55 -1.169 -15.564 18.543 1.00 0.00 O ATOM 829 CB PRO A 55 -0.644 -18.768 18.206 1.00 0.00 C ATOM 830 CG PRO A 55 0.801 -18.427 18.349 1.00 0.00 C ATOM 831 CD PRO A 55 1.200 -17.679 17.105 1.00 0.00 C ATOM 0 HA PRO A 55 -2.035 -17.995 16.711 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.136 -18.823 19.177 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.776 -19.738 17.727 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.968 -17.817 19.237 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.401 -19.330 18.466 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.916 -16.888 17.329 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.672 -18.340 16.378 1.00 0.00 H new ATOM 839 N PHE A 56 -3.052 -16.689 18.628 1.00 0.00 N ATOM 840 CA PHE A 56 -3.694 -15.646 19.478 1.00 0.00 C ATOM 841 C PHE A 56 -3.350 -15.858 20.956 1.00 0.00 C ATOM 842 O PHE A 56 -3.709 -15.065 21.802 1.00 0.00 O ATOM 843 CB PHE A 56 -5.194 -15.829 19.252 1.00 0.00 C ATOM 844 CG PHE A 56 -5.644 -17.115 19.901 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.887 -17.157 21.278 1.00 0.00 C ATOM 846 CD2 PHE A 56 -5.819 -18.268 19.125 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.305 -18.350 21.881 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.236 -19.461 19.726 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.480 -19.501 21.105 1.00 0.00 C ATOM 0 H PHE A 56 -3.645 -17.487 18.400 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.352 -14.644 19.220 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.742 -14.985 19.672 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.412 -15.851 18.184 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.752 -16.268 21.877 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.632 -18.236 18.062 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.492 -18.381 22.944 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.370 -20.350 19.127 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.803 -20.421 21.569 1.00 0.00 H new ATOM 859 N ASN A 57 -2.667 -16.923 21.278 1.00 0.00 N ATOM 860 CA ASN A 57 -2.321 -17.178 22.708 1.00 0.00 C ATOM 861 C ASN A 57 -0.907 -16.675 23.028 1.00 0.00 C ATOM 862 O ASN A 57 -0.595 -16.370 24.162 1.00 0.00 O ATOM 863 CB ASN A 57 -2.392 -18.697 22.863 1.00 0.00 C ATOM 864 CG ASN A 57 -2.516 -19.055 24.346 1.00 0.00 C ATOM 865 OD1 ASN A 57 -2.517 -18.186 25.195 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.618 -20.308 24.696 1.00 0.00 N ATOM 0 H ASN A 57 -2.334 -17.625 20.617 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.996 -16.658 23.388 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.246 -19.090 22.311 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.499 -19.158 22.440 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.699 -20.557 25.682 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.617 -21.038 23.984 1.00 0.00 H new ATOM 873 N PHE A 58 -0.049 -16.589 22.048 1.00 0.00 N ATOM 874 CA PHE A 58 1.340 -16.111 22.320 1.00 0.00 C ATOM 875 C PHE A 58 1.385 -14.581 22.319 1.00 0.00 C ATOM 876 O PHE A 58 2.382 -13.982 22.673 1.00 0.00 O ATOM 877 CB PHE A 58 2.193 -16.669 21.180 1.00 0.00 C ATOM 878 CG PHE A 58 2.347 -18.164 21.346 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.238 -19.007 21.202 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.603 -18.707 21.643 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.385 -20.391 21.356 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.750 -20.090 21.796 1.00 0.00 C ATOM 883 CZ PHE A 58 2.641 -20.933 21.653 1.00 0.00 C ATOM 0 H PHE A 58 -0.246 -16.827 21.076 1.00 0.00 H new ATOM 0 HA PHE A 58 1.700 -16.441 23.294 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.727 -16.446 20.220 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.172 -16.191 21.177 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.269 -18.589 20.972 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.459 -18.058 21.754 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.529 -21.040 21.246 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.719 -20.508 22.025 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.755 -22.000 21.772 1.00 0.00 H new ATOM 893 N VAL A 59 0.318 -13.942 21.927 1.00 0.00 N ATOM 894 CA VAL A 59 0.310 -12.452 21.906 1.00 0.00 C ATOM 895 C VAL A 59 -1.005 -11.918 22.482 1.00 0.00 C ATOM 896 O VAL A 59 -2.051 -12.514 22.323 1.00 0.00 O ATOM 897 CB VAL A 59 0.445 -12.075 20.430 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.760 -12.630 19.881 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.726 -12.667 19.643 1.00 0.00 C ATOM 0 H VAL A 59 -0.548 -14.386 21.621 1.00 0.00 H new ATOM 0 HA VAL A 59 1.112 -12.027 22.509 1.00 0.00 H new ATOM 0 HB VAL A 59 0.438 -10.990 20.330 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.857 -12.362 18.829 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.595 -12.209 20.441 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.767 -13.715 19.981 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.630 -12.398 18.591 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.720 -13.752 19.743 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.664 -12.272 20.034 1.00 0.00 H new ATOM 909 N ALA A 60 -0.958 -10.798 23.152 1.00 0.00 N ATOM 910 CA ALA A 60 -2.205 -10.226 23.738 1.00 0.00 C ATOM 911 C ALA A 60 -2.309 -8.734 23.408 1.00 0.00 C ATOM 912 O ALA A 60 -1.319 -8.070 23.178 1.00 0.00 O ATOM 913 CB ALA A 60 -2.066 -10.435 25.246 1.00 0.00 C ATOM 0 H ALA A 60 -0.111 -10.255 23.319 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.103 -10.701 23.343 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.947 -10.039 25.751 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.974 -11.500 25.459 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.178 -9.915 25.605 1.00 0.00 H new