USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 390 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 15 TYR OH : rot -163:sc= -2.06! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -64:sc= -0.0304 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 107:sc= -0.532! USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.882 K(o=-0.88,f=-0.26) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0433 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.455 X(o=-0.45,f=0) USER MOD Single : A 56 SER OG : rot -45:sc= 1.06 USER MOD Single : A 57 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.046) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ALA A 8 -7.372 -6.771 -8.733 1.00 0.73 N ATOM 103 CA ALA A 8 -6.231 -7.199 -7.878 1.00 0.42 C ATOM 104 C ALA A 8 -6.772 -7.435 -6.471 1.00 0.16 C ATOM 105 O ALA A 8 -7.903 -7.084 -6.198 1.00 0.32 O ATOM 106 CB ALA A 8 -5.198 -6.066 -7.834 1.00 0.78 C ATOM 0 HA ALA A 8 -5.766 -8.104 -8.269 1.00 0.42 H new ATOM 0 HB1 ALA A 8 -4.356 -6.366 -7.211 1.00 0.78 H new ATOM 0 HB2 ALA A 8 -4.845 -5.856 -8.844 1.00 0.78 H new ATOM 0 HB3 ALA A 8 -5.658 -5.170 -7.416 1.00 0.78 H new ATOM 112 N VAL A 9 -5.993 -8.022 -5.600 1.00 0.07 N ATOM 113 CA VAL A 9 -6.520 -8.252 -4.232 1.00 0.16 C ATOM 114 C VAL A 9 -5.420 -8.232 -3.191 1.00 0.27 C ATOM 115 O VAL A 9 -4.246 -8.254 -3.496 1.00 0.57 O ATOM 116 CB VAL A 9 -7.216 -9.640 -4.154 1.00 0.15 C ATOM 117 CG1 VAL A 9 -7.522 -10.168 -5.555 1.00 0.34 C ATOM 118 CG2 VAL A 9 -6.323 -10.677 -3.429 1.00 0.14 C ATOM 0 H VAL A 9 -5.040 -8.343 -5.773 1.00 0.07 H new ATOM 0 HA VAL A 9 -7.225 -7.446 -4.027 1.00 0.16 H new ATOM 0 HB VAL A 9 -8.141 -9.503 -3.594 1.00 0.15 H new ATOM 0 HG11 VAL A 9 -8.009 -11.140 -5.479 1.00 0.34 H new ATOM 0 HG12 VAL A 9 -8.182 -9.471 -6.070 1.00 0.34 H new ATOM 0 HG13 VAL A 9 -6.593 -10.270 -6.116 1.00 0.34 H new ATOM 0 HG21 VAL A 9 -6.838 -11.637 -3.391 1.00 0.14 H new ATOM 0 HG22 VAL A 9 -5.384 -10.790 -3.970 1.00 0.14 H new ATOM 0 HG23 VAL A 9 -6.118 -10.335 -2.415 1.00 0.14 H new ATOM 128 N LYS A 10 -5.861 -8.180 -1.980 1.00 0.19 N ATOM 129 CA LYS A 10 -4.921 -8.161 -0.831 1.00 0.17 C ATOM 130 C LYS A 10 -5.375 -9.220 0.183 1.00 0.11 C ATOM 131 O LYS A 10 -6.214 -8.958 1.018 1.00 0.12 O ATOM 132 CB LYS A 10 -4.956 -6.783 -0.164 1.00 0.26 C ATOM 133 CG LYS A 10 -3.741 -6.680 0.749 1.00 0.31 C ATOM 134 CD LYS A 10 -3.912 -5.509 1.715 1.00 0.46 C ATOM 135 CE LYS A 10 -2.530 -4.950 2.064 1.00 0.91 C ATOM 136 NZ LYS A 10 -2.558 -4.277 3.391 1.00 1.52 N ATOM 0 H LYS A 10 -6.849 -8.149 -1.727 1.00 0.19 H new ATOM 0 HA LYS A 10 -3.908 -8.371 -1.174 1.00 0.17 H new ATOM 0 HB2 LYS A 10 -4.938 -5.994 -0.916 1.00 0.26 H new ATOM 0 HB3 LYS A 10 -5.876 -6.658 0.408 1.00 0.26 H new ATOM 0 HG2 LYS A 10 -3.616 -7.608 1.307 1.00 0.31 H new ATOM 0 HG3 LYS A 10 -2.839 -6.542 0.153 1.00 0.31 H new ATOM 0 HD2 LYS A 10 -4.529 -4.733 1.262 1.00 0.46 H new ATOM 0 HD3 LYS A 10 -4.425 -5.837 2.619 1.00 0.46 H new ATOM 0 HE2 LYS A 10 -1.797 -5.757 2.075 1.00 0.91 H new ATOM 0 HE3 LYS A 10 -2.214 -4.242 1.298 1.00 0.91 H new ATOM 0 HZ1 LYS A 10 -1.612 -3.904 3.611 1.00 1.52 H new ATOM 0 HZ2 LYS A 10 -3.242 -3.494 3.369 1.00 1.52 H new ATOM 0 HZ3 LYS A 10 -2.839 -4.962 4.122 1.00 1.52 H new ATOM 150 N ALA A 11 -4.806 -10.395 0.085 1.00 0.15 N ATOM 151 CA ALA A 11 -5.180 -11.496 1.020 1.00 0.09 C ATOM 152 C ALA A 11 -5.296 -11.019 2.458 1.00 0.13 C ATOM 153 O ALA A 11 -4.341 -10.560 3.048 1.00 0.16 O ATOM 154 CB ALA A 11 -4.087 -12.556 0.957 1.00 0.03 C ATOM 0 H ALA A 11 -4.096 -10.639 -0.606 1.00 0.15 H new ATOM 0 HA ALA A 11 -6.152 -11.884 0.716 1.00 0.09 H new ATOM 0 HB1 ALA A 11 -4.335 -13.375 1.632 1.00 0.03 H new ATOM 0 HB2 ALA A 11 -4.008 -12.937 -0.061 1.00 0.03 H new ATOM 0 HB3 ALA A 11 -3.135 -12.116 1.255 1.00 0.03 H new ATOM 160 N LEU A 12 -6.468 -11.149 2.999 1.00 0.15 N ATOM 161 CA LEU A 12 -6.675 -10.715 4.398 1.00 0.22 C ATOM 162 C LEU A 12 -6.334 -11.872 5.322 1.00 0.16 C ATOM 163 O LEU A 12 -5.910 -11.676 6.441 1.00 0.34 O ATOM 164 CB LEU A 12 -8.157 -10.326 4.605 1.00 0.36 C ATOM 165 CG LEU A 12 -8.759 -9.742 3.307 1.00 0.28 C ATOM 166 CD1 LEU A 12 -10.256 -9.497 3.524 1.00 0.51 C ATOM 167 CD2 LEU A 12 -8.090 -8.403 2.973 1.00 0.59 C ATOM 0 H LEU A 12 -7.289 -11.536 2.534 1.00 0.15 H new ATOM 0 HA LEU A 12 -6.040 -9.856 4.616 1.00 0.22 H new ATOM 0 HB2 LEU A 12 -8.728 -11.202 4.914 1.00 0.36 H new ATOM 0 HB3 LEU A 12 -8.236 -9.594 5.409 1.00 0.36 H new ATOM 0 HG LEU A 12 -8.597 -10.444 2.489 1.00 0.28 H new ATOM 0 HD11 LEU A 12 -10.693 -9.085 2.614 1.00 0.51 H new ATOM 0 HD12 LEU A 12 -10.747 -10.439 3.768 1.00 0.51 H new ATOM 0 HD13 LEU A 12 -10.394 -8.793 4.344 1.00 0.51 H new ATOM 0 HD21 LEU A 12 -8.521 -7.999 2.057 1.00 0.59 H new ATOM 0 HD22 LEU A 12 -8.253 -7.701 3.791 1.00 0.59 H new ATOM 0 HD23 LEU A 12 -7.020 -8.556 2.834 1.00 0.59 H new ATOM 179 N PHE A 13 -6.528 -13.062 4.821 1.00 0.25 N ATOM 180 CA PHE A 13 -6.228 -14.276 5.639 1.00 0.52 C ATOM 181 C PHE A 13 -4.966 -14.964 5.109 1.00 0.50 C ATOM 182 O PHE A 13 -4.539 -14.710 4.000 1.00 0.77 O ATOM 183 CB PHE A 13 -7.408 -15.263 5.515 1.00 0.74 C ATOM 184 CG PHE A 13 -8.735 -14.706 6.094 1.00 0.54 C ATOM 185 CD1 PHE A 13 -8.833 -13.458 6.707 1.00 0.54 C ATOM 186 CD2 PHE A 13 -9.893 -15.454 5.945 1.00 0.60 C ATOM 187 CE1 PHE A 13 -10.048 -12.979 7.135 1.00 0.47 C ATOM 188 CE2 PHE A 13 -11.110 -14.970 6.384 1.00 0.71 C ATOM 189 CZ PHE A 13 -11.186 -13.734 6.978 1.00 0.60 C ATOM 0 H PHE A 13 -6.881 -13.248 3.882 1.00 0.25 H new ATOM 0 HA PHE A 13 -6.077 -13.981 6.678 1.00 0.52 H new ATOM 0 HB2 PHE A 13 -7.555 -15.514 4.464 1.00 0.74 H new ATOM 0 HB3 PHE A 13 -7.154 -16.189 6.031 1.00 0.74 H new ATOM 0 HD1 PHE A 13 -7.944 -12.861 6.847 1.00 0.54 H new ATOM 0 HD2 PHE A 13 -9.843 -16.427 5.480 1.00 0.60 H new ATOM 0 HE1 PHE A 13 -10.109 -12.005 7.597 1.00 0.47 H new ATOM 0 HE2 PHE A 13 -12.003 -15.564 6.260 1.00 0.71 H new ATOM 0 HZ PHE A 13 -12.138 -13.356 7.321 1.00 0.60 H new ATOM 199 N ASP A 14 -4.394 -15.825 5.913 1.00 0.22 N ATOM 200 CA ASP A 14 -3.159 -16.540 5.474 1.00 0.19 C ATOM 201 C ASP A 14 -3.468 -17.938 4.928 1.00 0.17 C ATOM 202 O ASP A 14 -4.353 -18.621 5.407 1.00 0.15 O ATOM 203 CB ASP A 14 -2.234 -16.687 6.688 1.00 0.19 C ATOM 204 CG ASP A 14 -1.009 -17.514 6.292 1.00 2.70 C ATOM 205 OD1 ASP A 14 -0.743 -17.551 5.101 1.00 4.57 O ATOM 206 OD2 ASP A 14 -0.408 -18.060 7.202 1.00 3.08 O ATOM 0 H ASP A 14 -4.727 -16.062 6.848 1.00 0.22 H new ATOM 0 HA ASP A 14 -2.694 -15.961 4.676 1.00 0.19 H new ATOM 0 HB2 ASP A 14 -1.924 -15.705 7.045 1.00 0.19 H new ATOM 0 HB3 ASP A 14 -2.765 -17.171 7.508 1.00 0.19 H new ATOM 211 N TYR A 15 -2.714 -18.321 3.930 1.00 0.19 N ATOM 212 CA TYR A 15 -2.899 -19.659 3.296 1.00 0.16 C ATOM 213 C TYR A 15 -1.603 -20.465 3.404 1.00 0.14 C ATOM 214 O TYR A 15 -0.611 -19.967 3.895 1.00 0.17 O ATOM 215 CB TYR A 15 -3.201 -19.428 1.808 1.00 0.16 C ATOM 216 CG TYR A 15 -3.884 -20.656 1.212 1.00 0.13 C ATOM 217 CD1 TYR A 15 -3.142 -21.738 0.789 1.00 0.15 C ATOM 218 CD2 TYR A 15 -5.254 -20.735 1.181 1.00 0.16 C ATOM 219 CE1 TYR A 15 -3.748 -22.881 0.370 1.00 0.19 C ATOM 220 CE2 TYR A 15 -5.877 -21.889 0.747 1.00 0.18 C ATOM 221 CZ TYR A 15 -5.124 -22.978 0.344 1.00 0.20 C ATOM 222 OH TYR A 15 -5.735 -24.158 -0.010 1.00 0.23 O ATOM 0 H TYR A 15 -1.969 -17.756 3.523 1.00 0.19 H new ATOM 0 HA TYR A 15 -3.706 -20.201 3.789 1.00 0.16 H new ATOM 0 HB2 TYR A 15 -3.842 -18.554 1.691 1.00 0.16 H new ATOM 0 HB3 TYR A 15 -2.276 -19.220 1.270 1.00 0.16 H new ATOM 0 HD1 TYR A 15 -2.064 -21.677 0.790 1.00 0.15 H new ATOM 0 HD2 TYR A 15 -5.848 -19.890 1.498 1.00 0.16 H new ATOM 0 HE1 TYR A 15 -3.146 -23.721 0.055 1.00 0.19 H new ATOM 0 HE2 TYR A 15 -6.955 -21.942 0.722 1.00 0.18 H new ATOM 0 HH TYR A 15 -6.672 -23.985 -0.238 1.00 0.23 H new ATOM 232 N LYS A 16 -1.629 -21.690 2.955 1.00 0.14 N ATOM 233 CA LYS A 16 -0.389 -22.504 3.036 1.00 0.15 C ATOM 234 C LYS A 16 -0.294 -23.593 1.963 1.00 0.16 C ATOM 235 O LYS A 16 -0.279 -24.767 2.281 1.00 0.19 O ATOM 236 CB LYS A 16 -0.335 -23.172 4.418 1.00 0.14 C ATOM 237 CG LYS A 16 1.091 -23.676 4.705 1.00 0.25 C ATOM 238 CD LYS A 16 1.552 -23.138 6.069 1.00 1.28 C ATOM 239 CE LYS A 16 1.655 -21.606 6.012 1.00 2.62 C ATOM 240 NZ LYS A 16 2.880 -21.131 6.716 1.00 3.96 N ATOM 0 H LYS A 16 -2.439 -22.153 2.544 1.00 0.14 H new ATOM 0 HA LYS A 16 0.448 -21.825 2.872 1.00 0.15 H new ATOM 0 HB2 LYS A 16 -0.640 -22.461 5.186 1.00 0.14 H new ATOM 0 HB3 LYS A 16 -1.038 -24.004 4.456 1.00 0.14 H new ATOM 0 HG2 LYS A 16 1.111 -24.766 4.705 1.00 0.25 H new ATOM 0 HG3 LYS A 16 1.772 -23.344 3.921 1.00 0.25 H new ATOM 0 HD2 LYS A 16 0.848 -23.436 6.846 1.00 1.28 H new ATOM 0 HD3 LYS A 16 2.518 -23.568 6.333 1.00 1.28 H new ATOM 0 HE2 LYS A 16 1.677 -21.277 4.973 1.00 2.62 H new ATOM 0 HE3 LYS A 16 0.772 -21.160 6.469 1.00 2.62 H new ATOM 0 HZ1 LYS A 16 2.929 -20.093 6.665 1.00 3.96 H new ATOM 0 HZ2 LYS A 16 2.845 -21.427 7.712 1.00 3.96 H new ATOM 0 HZ3 LYS A 16 3.722 -21.540 6.263 1.00 3.96 H new ATOM 254 N ALA A 17 -0.229 -23.188 0.716 1.00 0.17 N ATOM 255 CA ALA A 17 -0.125 -24.195 -0.382 1.00 0.19 C ATOM 256 C ALA A 17 1.233 -24.061 -1.008 1.00 0.22 C ATOM 257 O ALA A 17 1.973 -25.010 -1.152 1.00 0.23 O ATOM 258 CB ALA A 17 -1.115 -23.912 -1.507 1.00 0.18 C ATOM 0 H ALA A 17 -0.243 -22.213 0.416 1.00 0.17 H new ATOM 0 HA ALA A 17 -0.317 -25.176 0.052 1.00 0.19 H new ATOM 0 HB1 ALA A 17 -1.007 -24.667 -2.285 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -2.131 -23.940 -1.113 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -0.916 -22.926 -1.928 1.00 0.18 H new ATOM 264 N GLN A 18 1.489 -22.840 -1.364 1.00 0.32 N ATOM 265 CA GLN A 18 2.779 -22.467 -2.009 1.00 0.37 C ATOM 266 C GLN A 18 2.768 -22.885 -3.465 1.00 0.35 C ATOM 267 O GLN A 18 3.107 -22.111 -4.337 1.00 0.56 O ATOM 268 CB GLN A 18 3.949 -23.166 -1.301 1.00 0.41 C ATOM 269 CG GLN A 18 5.250 -22.444 -1.653 1.00 0.45 C ATOM 270 CD GLN A 18 6.420 -23.198 -1.021 1.00 0.70 C ATOM 271 OE1 GLN A 18 6.863 -24.210 -1.526 1.00 2.61 O ATOM 272 NE2 GLN A 18 6.940 -22.744 0.084 1.00 1.75 N ATOM 0 H GLN A 18 0.843 -22.062 -1.233 1.00 0.32 H new ATOM 0 HA GLN A 18 2.902 -21.386 -1.935 1.00 0.37 H new ATOM 0 HB2 GLN A 18 3.795 -23.158 -0.222 1.00 0.41 H new ATOM 0 HB3 GLN A 18 4.004 -24.211 -1.607 1.00 0.41 H new ATOM 0 HG2 GLN A 18 5.373 -22.395 -2.735 1.00 0.45 H new ATOM 0 HG3 GLN A 18 5.222 -21.417 -1.288 1.00 0.45 H new ATOM 0 HE21 GLN A 18 6.570 -21.894 0.510 1.00 1.75 H new ATOM 0 HE22 GLN A 18 7.717 -23.238 0.523 1.00 1.75 H new ATOM 281 N ARG A 19 2.351 -24.095 -3.704 1.00 0.21 N ATOM 282 CA ARG A 19 2.311 -24.576 -5.108 1.00 0.21 C ATOM 283 C ARG A 19 1.370 -25.767 -5.248 1.00 0.14 C ATOM 284 O ARG A 19 1.818 -26.894 -5.311 1.00 0.16 O ATOM 285 CB ARG A 19 3.724 -25.036 -5.529 1.00 0.31 C ATOM 286 CG ARG A 19 4.645 -23.823 -5.717 1.00 1.90 C ATOM 287 CD ARG A 19 5.878 -24.237 -6.530 1.00 1.21 C ATOM 288 NE ARG A 19 6.857 -23.109 -6.537 1.00 2.72 N ATOM 289 CZ ARG A 19 7.632 -22.916 -5.502 1.00 4.30 C ATOM 290 NH1 ARG A 19 8.727 -23.618 -5.394 1.00 3.93 N ATOM 291 NH2 ARG A 19 7.290 -22.017 -4.619 1.00 6.47 N ATOM 0 H ARG A 19 2.040 -24.763 -2.998 1.00 0.21 H new ATOM 0 HA ARG A 19 1.960 -23.758 -5.737 1.00 0.21 H new ATOM 0 HB2 ARG A 19 4.138 -25.702 -4.771 1.00 0.31 H new ATOM 0 HB3 ARG A 19 3.667 -25.605 -6.457 1.00 0.31 H new ATOM 0 HG2 ARG A 19 4.110 -23.023 -6.229 1.00 1.90 H new ATOM 0 HG3 ARG A 19 4.951 -23.431 -4.747 1.00 1.90 H new ATOM 0 HD2 ARG A 19 6.333 -25.128 -6.097 1.00 1.21 H new ATOM 0 HD3 ARG A 19 5.589 -24.491 -7.550 1.00 1.21 H new ATOM 0 HE ARG A 19 6.921 -22.492 -7.346 1.00 2.72 H new ATOM 0 HH11 ARG A 19 8.966 -24.304 -6.110 1.00 3.93 H new ATOM 0 HH12 ARG A 19 9.344 -23.481 -4.593 1.00 3.93 H new ATOM 0 HH21 ARG A 19 6.432 -21.480 -4.744 1.00 6.47 H new ATOM 0 HH22 ARG A 19 7.881 -21.851 -3.804 1.00 6.47 H new ATOM 305 N GLU A 20 0.084 -25.514 -5.277 1.00 0.11 N ATOM 306 CA GLU A 20 -0.850 -26.677 -5.415 1.00 0.13 C ATOM 307 C GLU A 20 -2.109 -26.281 -6.120 1.00 0.12 C ATOM 308 O GLU A 20 -3.162 -26.819 -5.876 1.00 0.21 O ATOM 309 CB GLU A 20 -1.220 -27.218 -4.034 1.00 0.19 C ATOM 310 CG GLU A 20 -2.410 -26.442 -3.436 1.00 0.26 C ATOM 311 CD GLU A 20 -2.534 -26.825 -1.958 1.00 1.70 C ATOM 312 OE1 GLU A 20 -1.492 -26.911 -1.330 1.00 2.76 O ATOM 313 OE2 GLU A 20 -3.666 -27.017 -1.543 1.00 2.42 O ATOM 0 H GLU A 20 -0.348 -24.592 -5.214 1.00 0.11 H new ATOM 0 HA GLU A 20 -0.338 -27.442 -5.999 1.00 0.13 H new ATOM 0 HB2 GLU A 20 -1.472 -28.276 -4.110 1.00 0.19 H new ATOM 0 HB3 GLU A 20 -0.361 -27.142 -3.368 1.00 0.19 H new ATOM 0 HG2 GLU A 20 -2.254 -25.368 -3.539 1.00 0.26 H new ATOM 0 HG3 GLU A 20 -3.329 -26.684 -3.970 1.00 0.26 H new ATOM 320 N ASP A 21 -1.976 -25.441 -7.067 1.00 0.09 N ATOM 321 CA ASP A 21 -3.196 -25.027 -7.756 1.00 0.07 C ATOM 322 C ASP A 21 -3.886 -24.245 -6.661 1.00 0.11 C ATOM 323 O ASP A 21 -5.072 -24.309 -6.449 1.00 0.17 O ATOM 324 CB ASP A 21 -4.038 -26.246 -8.181 1.00 0.06 C ATOM 325 CG ASP A 21 -4.676 -25.980 -9.546 1.00 2.43 C ATOM 326 OD1 ASP A 21 -3.935 -25.555 -10.414 1.00 2.69 O ATOM 327 OD2 ASP A 21 -5.872 -26.204 -9.636 1.00 3.89 O ATOM 0 H ASP A 21 -1.102 -25.028 -7.393 1.00 0.09 H new ATOM 0 HA ASP A 21 -3.028 -24.469 -8.677 1.00 0.07 H new ATOM 0 HB2 ASP A 21 -3.410 -27.135 -8.229 1.00 0.06 H new ATOM 0 HB3 ASP A 21 -4.812 -26.442 -7.439 1.00 0.06 H new ATOM 332 N GLU A 22 -3.002 -23.651 -5.900 1.00 0.10 N ATOM 333 CA GLU A 22 -3.338 -22.796 -4.735 1.00 0.12 C ATOM 334 C GLU A 22 -1.983 -22.329 -4.165 1.00 0.14 C ATOM 335 O GLU A 22 -0.988 -22.972 -4.442 1.00 0.20 O ATOM 336 CB GLU A 22 -4.129 -23.616 -3.696 1.00 0.10 C ATOM 337 CG GLU A 22 -5.414 -22.883 -3.299 1.00 0.22 C ATOM 338 CD GLU A 22 -6.298 -23.815 -2.474 1.00 0.22 C ATOM 339 OE1 GLU A 22 -6.054 -25.008 -2.548 1.00 0.61 O ATOM 340 OE2 GLU A 22 -7.168 -23.279 -1.808 1.00 0.18 O ATOM 0 H GLU A 22 -1.998 -23.736 -6.057 1.00 0.10 H new ATOM 0 HA GLU A 22 -3.963 -21.946 -5.008 1.00 0.12 H new ATOM 0 HB2 GLU A 22 -4.374 -24.595 -4.107 1.00 0.10 H new ATOM 0 HB3 GLU A 22 -3.513 -23.786 -2.813 1.00 0.10 H new ATOM 0 HG2 GLU A 22 -5.172 -21.990 -2.723 1.00 0.22 H new ATOM 0 HG3 GLU A 22 -5.947 -22.553 -4.191 1.00 0.22 H new ATOM 347 N LEU A 23 -1.922 -21.227 -3.429 1.00 0.13 N ATOM 348 CA LEU A 23 -0.574 -20.790 -2.890 1.00 0.14 C ATOM 349 C LEU A 23 -0.614 -20.469 -1.400 1.00 0.15 C ATOM 350 O LEU A 23 -1.655 -20.187 -0.855 1.00 0.19 O ATOM 351 CB LEU A 23 -0.060 -19.513 -3.581 1.00 0.17 C ATOM 352 CG LEU A 23 -0.737 -19.291 -4.932 1.00 0.18 C ATOM 353 CD1 LEU A 23 -1.300 -17.868 -5.054 1.00 0.14 C ATOM 354 CD2 LEU A 23 0.305 -19.534 -6.015 1.00 0.29 C ATOM 0 H LEU A 23 -2.714 -20.632 -3.185 1.00 0.13 H new ATOM 0 HA LEU A 23 0.082 -21.638 -3.085 1.00 0.14 H new ATOM 0 HB2 LEU A 23 -0.241 -18.652 -2.937 1.00 0.17 H new ATOM 0 HB3 LEU A 23 1.019 -19.584 -3.722 1.00 0.17 H new ATOM 0 HG LEU A 23 -1.577 -19.978 -5.035 1.00 0.18 H new ATOM 0 HD11 LEU A 23 -1.774 -17.747 -6.028 1.00 0.14 H new ATOM 0 HD12 LEU A 23 -2.036 -17.699 -4.268 1.00 0.14 H new ATOM 0 HD13 LEU A 23 -0.490 -17.146 -4.953 1.00 0.14 H new ATOM 0 HD21 LEU A 23 -0.147 -19.383 -6.995 1.00 0.29 H new ATOM 0 HD22 LEU A 23 1.133 -18.837 -5.886 1.00 0.29 H new ATOM 0 HD23 LEU A 23 0.676 -20.556 -5.940 1.00 0.29 H new ATOM 366 N THR A 24 0.557 -20.421 -0.801 1.00 0.14 N ATOM 367 CA THR A 24 0.653 -20.123 0.651 1.00 0.16 C ATOM 368 C THR A 24 0.734 -18.647 0.872 1.00 0.15 C ATOM 369 O THR A 24 1.272 -18.191 1.860 1.00 0.13 O ATOM 370 CB THR A 24 1.934 -20.739 1.210 1.00 0.16 C ATOM 371 OG1 THR A 24 2.001 -20.320 2.564 1.00 0.16 O ATOM 372 CG2 THR A 24 3.151 -20.087 0.597 1.00 0.14 C ATOM 0 H THR A 24 1.451 -20.578 -1.267 1.00 0.14 H new ATOM 0 HA THR A 24 -0.229 -20.531 1.145 1.00 0.16 H new ATOM 0 HB THR A 24 1.921 -21.815 1.036 1.00 0.16 H new ATOM 0 HG1 THR A 24 2.099 -19.346 2.600 1.00 0.16 H new ATOM 0 HG21 THR A 24 4.053 -20.540 1.009 1.00 0.14 H new ATOM 0 HG22 THR A 24 3.134 -20.229 -0.484 1.00 0.14 H new ATOM 0 HG23 THR A 24 3.145 -19.021 0.823 1.00 0.14 H new ATOM 380 N PHE A 25 0.217 -17.933 -0.065 1.00 0.14 N ATOM 381 CA PHE A 25 0.252 -16.480 0.067 1.00 0.12 C ATOM 382 C PHE A 25 -0.152 -16.114 1.494 1.00 0.07 C ATOM 383 O PHE A 25 -1.066 -16.695 2.046 1.00 0.11 O ATOM 384 CB PHE A 25 -0.695 -15.895 -0.962 1.00 0.13 C ATOM 385 CG PHE A 25 -2.095 -16.431 -0.747 1.00 0.10 C ATOM 386 CD1 PHE A 25 -2.900 -15.937 0.257 1.00 0.07 C ATOM 387 CD2 PHE A 25 -2.582 -17.398 -1.591 1.00 0.10 C ATOM 388 CE1 PHE A 25 -4.190 -16.411 0.405 1.00 0.07 C ATOM 389 CE2 PHE A 25 -3.841 -17.870 -1.462 1.00 0.08 C ATOM 390 CZ PHE A 25 -4.661 -17.383 -0.459 1.00 0.09 C ATOM 0 H PHE A 25 -0.225 -18.293 -0.911 1.00 0.14 H new ATOM 0 HA PHE A 25 1.248 -16.076 -0.113 1.00 0.12 H new ATOM 0 HB2 PHE A 25 -0.698 -14.808 -0.887 1.00 0.13 H new ATOM 0 HB3 PHE A 25 -0.352 -16.145 -1.966 1.00 0.13 H new ATOM 0 HD1 PHE A 25 -2.523 -15.180 0.928 1.00 0.07 H new ATOM 0 HD2 PHE A 25 -1.947 -17.788 -2.372 1.00 0.10 H new ATOM 0 HE1 PHE A 25 -4.825 -16.026 1.189 1.00 0.07 H new ATOM 0 HE2 PHE A 25 -4.207 -18.626 -2.140 1.00 0.08 H new ATOM 0 HZ PHE A 25 -5.667 -17.761 -0.351 1.00 0.09 H new ATOM 400 N ILE A 26 0.535 -15.165 2.058 1.00 0.05 N ATOM 401 CA ILE A 26 0.223 -14.747 3.449 1.00 0.11 C ATOM 402 C ILE A 26 -0.522 -13.426 3.497 1.00 0.21 C ATOM 403 O ILE A 26 -0.572 -12.697 2.527 1.00 0.43 O ATOM 404 CB ILE A 26 1.548 -14.602 4.226 1.00 0.26 C ATOM 405 CG1 ILE A 26 2.702 -14.143 3.315 1.00 0.78 C ATOM 406 CG2 ILE A 26 1.910 -15.978 4.811 1.00 0.55 C ATOM 407 CD1 ILE A 26 2.468 -12.694 2.873 1.00 1.67 C ATOM 0 H ILE A 26 1.302 -14.659 1.614 1.00 0.05 H new ATOM 0 HA ILE A 26 -0.419 -15.506 3.895 1.00 0.11 H new ATOM 0 HB ILE A 26 1.411 -13.851 5.004 1.00 0.26 H new ATOM 0 HG12 ILE A 26 3.651 -14.222 3.846 1.00 0.78 H new ATOM 0 HG13 ILE A 26 2.770 -14.793 2.443 1.00 0.78 H new ATOM 0 HG21 ILE A 26 2.845 -15.903 5.366 1.00 0.55 H new ATOM 0 HG22 ILE A 26 1.116 -16.309 5.480 1.00 0.55 H new ATOM 0 HG23 ILE A 26 2.026 -16.698 4.001 1.00 0.55 H new ATOM 0 HD11 ILE A 26 3.287 -12.373 2.229 1.00 1.67 H new ATOM 0 HD12 ILE A 26 1.528 -12.628 2.325 1.00 1.67 H new ATOM 0 HD13 ILE A 26 2.423 -12.049 3.750 1.00 1.67 H new ATOM 419 N LYS A 27 -1.108 -13.152 4.629 1.00 0.16 N ATOM 420 CA LYS A 27 -1.850 -11.897 4.768 1.00 0.20 C ATOM 421 C LYS A 27 -1.033 -10.761 4.221 1.00 0.19 C ATOM 422 O LYS A 27 0.150 -10.652 4.467 1.00 0.30 O ATOM 423 CB LYS A 27 -2.133 -11.623 6.251 1.00 0.31 C ATOM 424 CG LYS A 27 -2.975 -10.343 6.378 1.00 0.30 C ATOM 425 CD LYS A 27 -3.153 -10.023 7.862 1.00 1.74 C ATOM 426 CE LYS A 27 -3.971 -8.740 8.023 1.00 1.87 C ATOM 427 NZ LYS A 27 -3.087 -7.544 7.910 1.00 1.75 N ATOM 0 H LYS A 27 -1.098 -13.750 5.455 1.00 0.16 H new ATOM 0 HA LYS A 27 -2.788 -11.981 4.219 1.00 0.20 H new ATOM 0 HB2 LYS A 27 -2.663 -12.466 6.694 1.00 0.31 H new ATOM 0 HB3 LYS A 27 -1.197 -11.512 6.798 1.00 0.31 H new ATOM 0 HG2 LYS A 27 -2.483 -9.514 5.868 1.00 0.30 H new ATOM 0 HG3 LYS A 27 -3.946 -10.480 5.901 1.00 0.30 H new ATOM 0 HD2 LYS A 27 -3.655 -10.850 8.364 1.00 1.74 H new ATOM 0 HD3 LYS A 27 -2.179 -9.906 8.337 1.00 1.74 H new ATOM 0 HE2 LYS A 27 -4.749 -8.699 7.261 1.00 1.87 H new ATOM 0 HE3 LYS A 27 -4.473 -8.740 8.991 1.00 1.87 H new ATOM 0 HZ1 LYS A 27 -3.656 -6.680 8.021 1.00 1.75 H new ATOM 0 HZ2 LYS A 27 -2.360 -7.578 8.653 1.00 1.75 H new ATOM 0 HZ3 LYS A 27 -2.628 -7.538 6.977 1.00 1.75 H new ATOM 441 N SER A 28 -1.710 -9.971 3.470 1.00 0.24 N ATOM 442 CA SER A 28 -1.101 -8.783 2.827 1.00 0.24 C ATOM 443 C SER A 28 -0.548 -9.136 1.459 1.00 0.33 C ATOM 444 O SER A 28 -0.099 -8.277 0.728 1.00 0.45 O ATOM 445 CB SER A 28 0.026 -8.200 3.697 1.00 0.31 C ATOM 446 OG SER A 28 -0.413 -8.393 5.034 1.00 2.73 O ATOM 0 H SER A 28 -2.700 -10.098 3.262 1.00 0.24 H new ATOM 0 HA SER A 28 -1.885 -8.034 2.715 1.00 0.24 H new ATOM 0 HB2 SER A 28 0.972 -8.710 3.513 1.00 0.31 H new ATOM 0 HB3 SER A 28 0.186 -7.144 3.482 1.00 0.31 H new ATOM 0 HG SER A 28 0.109 -9.111 5.449 1.00 2.73 H new ATOM 452 N ALA A 29 -0.573 -10.399 1.144 1.00 0.30 N ATOM 453 CA ALA A 29 -0.053 -10.813 -0.178 1.00 0.38 C ATOM 454 C ALA A 29 -0.879 -10.127 -1.249 1.00 0.39 C ATOM 455 O ALA A 29 -2.018 -9.784 -1.003 1.00 0.47 O ATOM 456 CB ALA A 29 -0.240 -12.323 -0.326 1.00 0.35 C ATOM 0 H ALA A 29 -0.926 -11.150 1.737 1.00 0.30 H new ATOM 0 HA ALA A 29 1.000 -10.549 -0.272 1.00 0.38 H new ATOM 0 HB1 ALA A 29 0.139 -12.643 -1.297 1.00 0.35 H new ATOM 0 HB2 ALA A 29 0.307 -12.837 0.465 1.00 0.35 H new ATOM 0 HB3 ALA A 29 -1.300 -12.567 -0.252 1.00 0.35 H new ATOM 462 N ILE A 30 -0.305 -9.926 -2.405 1.00 0.43 N ATOM 463 CA ILE A 30 -1.074 -9.262 -3.479 1.00 0.44 C ATOM 464 C ILE A 30 -1.049 -10.090 -4.762 1.00 0.45 C ATOM 465 O ILE A 30 0.003 -10.366 -5.302 1.00 0.80 O ATOM 466 CB ILE A 30 -0.437 -7.905 -3.758 1.00 0.46 C ATOM 467 CG1 ILE A 30 0.116 -7.294 -2.468 1.00 0.34 C ATOM 468 CG2 ILE A 30 -1.536 -6.987 -4.303 1.00 0.49 C ATOM 469 CD1 ILE A 30 0.680 -5.903 -2.776 1.00 0.54 C ATOM 0 H ILE A 30 0.651 -10.191 -2.644 1.00 0.43 H new ATOM 0 HA ILE A 30 -2.110 -9.152 -3.157 1.00 0.44 H new ATOM 0 HB ILE A 30 0.382 -8.020 -4.468 1.00 0.46 H new ATOM 0 HG12 ILE A 30 -0.671 -7.223 -1.717 1.00 0.34 H new ATOM 0 HG13 ILE A 30 0.896 -7.933 -2.053 1.00 0.34 H new ATOM 0 HG21 ILE A 30 -1.117 -6.004 -4.515 1.00 0.49 H new ATOM 0 HG22 ILE A 30 -1.944 -7.413 -5.220 1.00 0.49 H new ATOM 0 HG23 ILE A 30 -2.330 -6.891 -3.563 1.00 0.49 H new ATOM 0 HD11 ILE A 30 1.076 -5.460 -1.862 1.00 0.54 H new ATOM 0 HD12 ILE A 30 1.478 -5.989 -3.513 1.00 0.54 H new ATOM 0 HD13 ILE A 30 -0.113 -5.269 -3.172 1.00 0.54 H new ATOM 481 N ILE A 31 -2.215 -10.464 -5.211 1.00 0.15 N ATOM 482 CA ILE A 31 -2.318 -11.277 -6.454 1.00 0.12 C ATOM 483 C ILE A 31 -2.843 -10.376 -7.593 1.00 0.17 C ATOM 484 O ILE A 31 -3.583 -9.451 -7.325 1.00 0.19 O ATOM 485 CB ILE A 31 -3.284 -12.424 -6.148 1.00 0.10 C ATOM 486 CG1 ILE A 31 -2.726 -13.224 -4.951 1.00 0.11 C ATOM 487 CG2 ILE A 31 -3.370 -13.343 -7.376 1.00 0.12 C ATOM 488 CD1 ILE A 31 -3.758 -14.239 -4.443 1.00 0.08 C ATOM 0 H ILE A 31 -3.106 -10.240 -4.767 1.00 0.15 H new ATOM 0 HA ILE A 31 -1.357 -11.682 -6.771 1.00 0.12 H new ATOM 0 HB ILE A 31 -4.275 -12.036 -5.911 1.00 0.10 H new ATOM 0 HG12 ILE A 31 -1.815 -13.743 -5.248 1.00 0.11 H new ATOM 0 HG13 ILE A 31 -2.455 -12.541 -4.146 1.00 0.11 H new ATOM 0 HG21 ILE A 31 -4.056 -14.164 -7.169 1.00 0.12 H new ATOM 0 HG22 ILE A 31 -3.733 -12.774 -8.232 1.00 0.12 H new ATOM 0 HG23 ILE A 31 -2.382 -13.744 -7.600 1.00 0.12 H new ATOM 0 HD11 ILE A 31 -3.342 -14.790 -3.600 1.00 0.08 H new ATOM 0 HD12 ILE A 31 -4.658 -13.714 -4.124 1.00 0.08 H new ATOM 0 HD13 ILE A 31 -4.008 -14.935 -5.244 1.00 0.08 H new ATOM 500 N GLN A 32 -2.474 -10.649 -8.839 1.00 0.20 N ATOM 501 CA GLN A 32 -2.972 -9.770 -9.961 1.00 0.31 C ATOM 502 C GLN A 32 -3.882 -10.509 -10.943 1.00 0.44 C ATOM 503 O GLN A 32 -3.766 -11.707 -11.116 1.00 0.52 O ATOM 504 CB GLN A 32 -1.748 -9.260 -10.732 1.00 0.37 C ATOM 505 CG GLN A 32 -1.542 -7.774 -10.418 1.00 1.23 C ATOM 506 CD GLN A 32 -0.286 -7.267 -11.135 1.00 0.86 C ATOM 507 OE1 GLN A 32 -0.335 -6.850 -12.274 1.00 1.77 O ATOM 508 NE2 GLN A 32 0.855 -7.289 -10.500 1.00 0.55 N ATOM 0 H GLN A 32 -1.867 -11.420 -9.118 1.00 0.20 H new ATOM 0 HA GLN A 32 -3.558 -8.964 -9.519 1.00 0.31 H new ATOM 0 HB2 GLN A 32 -0.862 -9.830 -10.451 1.00 0.37 H new ATOM 0 HB3 GLN A 32 -1.892 -9.402 -11.803 1.00 0.37 H new ATOM 0 HG2 GLN A 32 -2.412 -7.200 -10.737 1.00 1.23 H new ATOM 0 HG3 GLN A 32 -1.442 -7.630 -9.342 1.00 1.23 H new ATOM 0 HE21 GLN A 32 0.899 -7.639 -9.543 1.00 0.55 H new ATOM 0 HE22 GLN A 32 1.702 -6.956 -10.961 1.00 0.55 H new ATOM 517 N ASN A 33 -4.768 -9.769 -11.580 1.00 0.58 N ATOM 518 CA ASN A 33 -5.690 -10.409 -12.550 1.00 0.73 C ATOM 519 C ASN A 33 -6.408 -11.501 -11.801 1.00 0.57 C ATOM 520 O ASN A 33 -5.882 -12.579 -11.611 1.00 0.59 O ATOM 521 CB ASN A 33 -4.875 -10.980 -13.717 1.00 0.97 C ATOM 522 CG ASN A 33 -3.793 -9.968 -14.109 1.00 1.95 C ATOM 523 OD1 ASN A 33 -4.082 -8.874 -14.555 1.00 1.53 O ATOM 524 ND2 ASN A 33 -2.537 -10.289 -13.957 1.00 3.85 N ATOM 0 H ASN A 33 -4.883 -8.762 -11.464 1.00 0.58 H new ATOM 0 HA ASN A 33 -6.408 -9.702 -12.964 1.00 0.73 H new ATOM 0 HB2 ASN A 33 -4.419 -11.927 -13.430 1.00 0.97 H new ATOM 0 HB3 ASN A 33 -5.526 -11.184 -14.567 1.00 0.97 H new ATOM 0 HD21 ASN A 33 -1.806 -9.624 -14.212 1.00 3.85 H new ATOM 0 HD22 ASN A 33 -2.286 -11.204 -13.584 1.00 3.85 H new ATOM 531 N VAL A 34 -7.604 -11.193 -11.390 1.00 0.47 N ATOM 532 CA VAL A 34 -8.385 -12.195 -10.629 1.00 0.32 C ATOM 533 C VAL A 34 -9.834 -12.394 -11.081 1.00 0.36 C ATOM 534 O VAL A 34 -10.385 -11.612 -11.827 1.00 0.43 O ATOM 535 CB VAL A 34 -8.334 -11.651 -9.200 1.00 0.29 C ATOM 536 CG1 VAL A 34 -9.726 -11.416 -8.616 1.00 0.41 C ATOM 537 CG2 VAL A 34 -7.577 -12.635 -8.347 1.00 0.28 C ATOM 0 H VAL A 34 -8.069 -10.299 -11.548 1.00 0.47 H new ATOM 0 HA VAL A 34 -7.960 -13.189 -10.767 1.00 0.32 H new ATOM 0 HB VAL A 34 -7.834 -10.683 -9.216 1.00 0.29 H new ATOM 0 HG11 VAL A 34 -9.634 -11.030 -7.601 1.00 0.41 H new ATOM 0 HG12 VAL A 34 -10.262 -10.694 -9.232 1.00 0.41 H new ATOM 0 HG13 VAL A 34 -10.277 -12.357 -8.598 1.00 0.41 H new ATOM 0 HG21 VAL A 34 -7.528 -12.266 -7.322 1.00 0.28 H new ATOM 0 HG22 VAL A 34 -8.087 -13.598 -8.362 1.00 0.28 H new ATOM 0 HG23 VAL A 34 -6.567 -12.754 -8.738 1.00 0.28 H new ATOM 547 N GLU A 35 -10.410 -13.469 -10.573 1.00 0.37 N ATOM 548 CA GLU A 35 -11.822 -13.821 -10.903 1.00 0.44 C ATOM 549 C GLU A 35 -12.247 -15.085 -10.132 1.00 0.48 C ATOM 550 O GLU A 35 -11.688 -16.146 -10.330 1.00 0.59 O ATOM 551 CB GLU A 35 -11.895 -14.108 -12.413 1.00 0.44 C ATOM 552 CG GLU A 35 -13.317 -14.525 -12.811 1.00 1.11 C ATOM 553 CD GLU A 35 -13.265 -15.905 -13.471 1.00 2.14 C ATOM 554 OE1 GLU A 35 -12.772 -16.804 -12.811 1.00 2.93 O ATOM 555 OE2 GLU A 35 -13.722 -15.983 -14.600 1.00 2.77 O ATOM 0 H GLU A 35 -9.948 -14.119 -9.937 1.00 0.37 H new ATOM 0 HA GLU A 35 -12.485 -13.001 -10.627 1.00 0.44 H new ATOM 0 HB2 GLU A 35 -11.599 -13.221 -12.973 1.00 0.44 H new ATOM 0 HB3 GLU A 35 -11.191 -14.898 -12.674 1.00 0.44 H new ATOM 0 HG2 GLU A 35 -13.961 -14.552 -11.932 1.00 1.11 H new ATOM 0 HG3 GLU A 35 -13.745 -13.795 -13.498 1.00 1.11 H new ATOM 562 N LYS A 36 -13.232 -14.952 -9.270 1.00 0.39 N ATOM 563 CA LYS A 36 -13.692 -16.147 -8.494 1.00 0.44 C ATOM 564 C LYS A 36 -14.046 -17.287 -9.442 1.00 0.43 C ATOM 565 O LYS A 36 -14.186 -17.090 -10.633 1.00 0.41 O ATOM 566 CB LYS A 36 -14.943 -15.778 -7.675 1.00 0.55 C ATOM 567 CG LYS A 36 -14.997 -14.263 -7.457 1.00 0.72 C ATOM 568 CD LYS A 36 -15.920 -13.960 -6.270 1.00 1.04 C ATOM 569 CE LYS A 36 -16.349 -12.491 -6.332 1.00 0.65 C ATOM 570 NZ LYS A 36 -17.569 -12.338 -7.175 1.00 1.40 N ATOM 0 H LYS A 36 -13.728 -14.083 -9.074 1.00 0.39 H new ATOM 0 HA LYS A 36 -12.887 -16.463 -7.830 1.00 0.44 H new ATOM 0 HB2 LYS A 36 -15.840 -16.111 -8.196 1.00 0.55 H new ATOM 0 HB3 LYS A 36 -14.923 -16.292 -6.714 1.00 0.55 H new ATOM 0 HG2 LYS A 36 -13.997 -13.875 -7.264 1.00 0.72 H new ATOM 0 HG3 LYS A 36 -15.364 -13.767 -8.355 1.00 0.72 H new ATOM 0 HD2 LYS A 36 -16.795 -14.609 -6.299 1.00 1.04 H new ATOM 0 HD3 LYS A 36 -15.404 -14.162 -5.331 1.00 1.04 H new ATOM 0 HE2 LYS A 36 -16.546 -12.121 -5.326 1.00 0.65 H new ATOM 0 HE3 LYS A 36 -15.539 -11.887 -6.741 1.00 0.65 H new ATOM 0 HZ1 LYS A 36 -17.846 -11.336 -7.206 1.00 1.40 H new ATOM 0 HZ2 LYS A 36 -17.369 -12.672 -8.139 1.00 1.40 H new ATOM 0 HZ3 LYS A 36 -18.345 -12.899 -6.768 1.00 1.40 H new ATOM 623 N GLY A 40 -16.249 -20.147 -5.495 1.00 0.52 N ATOM 624 CA GLY A 40 -15.613 -19.159 -4.581 1.00 0.31 C ATOM 625 C GLY A 40 -14.099 -19.361 -4.541 1.00 0.24 C ATOM 626 O GLY A 40 -13.511 -19.430 -3.480 1.00 0.18 O ATOM 0 HA2 GLY A 40 -15.842 -18.147 -4.915 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -16.026 -19.265 -3.578 1.00 0.31 H new ATOM 630 N TRP A 41 -13.506 -19.470 -5.706 1.00 0.31 N ATOM 631 CA TRP A 41 -12.033 -19.666 -5.779 1.00 0.34 C ATOM 632 C TRP A 41 -11.504 -18.669 -6.780 1.00 0.34 C ATOM 633 O TRP A 41 -12.028 -18.536 -7.859 1.00 0.35 O ATOM 634 CB TRP A 41 -11.744 -21.125 -6.128 1.00 0.48 C ATOM 635 CG TRP A 41 -12.403 -21.898 -4.988 1.00 0.40 C ATOM 636 CD1 TRP A 41 -13.729 -22.099 -4.919 1.00 0.44 C ATOM 637 CD2 TRP A 41 -11.878 -22.032 -3.761 1.00 0.29 C ATOM 638 NE1 TRP A 41 -13.962 -22.307 -3.625 1.00 0.35 N ATOM 639 CE2 TRP A 41 -12.872 -22.270 -2.832 1.00 0.24 C ATOM 640 CE3 TRP A 41 -10.567 -21.935 -3.347 1.00 0.27 C ATOM 641 CZ2 TRP A 41 -12.562 -22.373 -1.489 1.00 0.13 C ATOM 642 CZ3 TRP A 41 -10.250 -22.052 -2.011 1.00 0.17 C ATOM 643 CH2 TRP A 41 -11.252 -22.262 -1.071 1.00 0.05 C ATOM 0 H TRP A 41 -13.983 -19.431 -6.607 1.00 0.31 H new ATOM 0 HA TRP A 41 -11.527 -19.483 -4.831 1.00 0.34 H new ATOM 0 HB2 TRP A 41 -12.166 -21.398 -7.095 1.00 0.48 H new ATOM 0 HB3 TRP A 41 -10.673 -21.321 -6.180 1.00 0.48 H new ATOM 0 HD1 TRP A 41 -14.444 -22.093 -5.729 1.00 0.44 H new ATOM 0 HE1 TRP A 41 -14.898 -22.482 -3.259 1.00 0.35 H new ATOM 0 HE3 TRP A 41 -9.785 -21.767 -4.073 1.00 0.27 H new ATOM 0 HZ2 TRP A 41 -13.346 -22.541 -0.766 1.00 0.13 H new ATOM 0 HZ3 TRP A 41 -9.220 -21.980 -1.694 1.00 0.17 H new ATOM 0 HH2 TRP A 41 -11.007 -22.338 -0.022 1.00 0.05 H new ATOM 654 N TRP A 42 -10.473 -17.994 -6.383 1.00 0.34 N ATOM 655 CA TRP A 42 -9.860 -16.964 -7.248 1.00 0.34 C ATOM 656 C TRP A 42 -8.525 -17.323 -7.892 1.00 0.42 C ATOM 657 O TRP A 42 -7.654 -17.846 -7.242 1.00 0.91 O ATOM 658 CB TRP A 42 -9.540 -15.834 -6.281 1.00 0.30 C ATOM 659 CG TRP A 42 -10.821 -15.246 -5.726 1.00 0.27 C ATOM 660 CD1 TRP A 42 -11.861 -15.987 -5.320 1.00 0.26 C ATOM 661 CD2 TRP A 42 -11.096 -13.956 -5.628 1.00 0.30 C ATOM 662 NE1 TRP A 42 -12.767 -15.073 -5.033 1.00 0.28 N ATOM 663 CE2 TRP A 42 -12.382 -13.808 -5.169 1.00 0.30 C ATOM 664 CE3 TRP A 42 -10.296 -12.847 -5.773 1.00 0.33 C ATOM 665 CZ2 TRP A 42 -12.888 -12.585 -4.852 1.00 0.33 C ATOM 666 CZ3 TRP A 42 -10.805 -11.599 -5.440 1.00 0.38 C ATOM 667 CH2 TRP A 42 -12.101 -11.474 -4.986 1.00 0.39 C ATOM 0 H TRP A 42 -10.020 -18.115 -5.477 1.00 0.34 H new ATOM 0 HA TRP A 42 -10.550 -16.769 -8.069 1.00 0.34 H new ATOM 0 HB2 TRP A 42 -8.919 -16.207 -5.466 1.00 0.30 H new ATOM 0 HB3 TRP A 42 -8.966 -15.060 -6.791 1.00 0.30 H new ATOM 0 HD1 TRP A 42 -11.938 -17.062 -5.246 1.00 0.26 H new ATOM 0 HE1 TRP A 42 -13.707 -15.322 -4.725 1.00 0.28 H new ATOM 0 HE3 TRP A 42 -9.285 -12.945 -6.141 1.00 0.33 H new ATOM 0 HZ2 TRP A 42 -13.904 -12.492 -4.497 1.00 0.33 H new ATOM 0 HZ3 TRP A 42 -10.183 -10.722 -5.537 1.00 0.38 H new ATOM 0 HH2 TRP A 42 -12.495 -10.500 -4.736 1.00 0.39 H new ATOM 678 N ARG A 43 -8.365 -16.958 -9.142 1.00 0.16 N ATOM 679 CA ARG A 43 -7.082 -17.267 -9.836 1.00 0.14 C ATOM 680 C ARG A 43 -6.216 -16.013 -9.867 1.00 0.08 C ATOM 681 O ARG A 43 -6.623 -14.984 -9.389 1.00 0.08 O ATOM 682 CB ARG A 43 -7.347 -17.634 -11.285 1.00 0.18 C ATOM 683 CG ARG A 43 -6.919 -19.080 -11.535 1.00 0.22 C ATOM 684 CD ARG A 43 -7.143 -19.424 -13.011 1.00 0.35 C ATOM 685 NE ARG A 43 -7.640 -18.215 -13.731 1.00 2.96 N ATOM 686 CZ ARG A 43 -8.884 -18.161 -14.118 1.00 3.73 C ATOM 687 NH1 ARG A 43 -9.811 -18.640 -13.332 1.00 5.14 N ATOM 688 NH2 ARG A 43 -9.163 -17.625 -15.275 1.00 3.66 N ATOM 0 H ARG A 43 -9.060 -16.466 -9.703 1.00 0.16 H new ATOM 0 HA ARG A 43 -6.596 -18.087 -9.306 1.00 0.14 H new ATOM 0 HB2 ARG A 43 -8.406 -17.513 -11.513 1.00 0.18 H new ATOM 0 HB3 ARG A 43 -6.800 -16.963 -11.947 1.00 0.18 H new ATOM 0 HG2 ARG A 43 -5.869 -19.211 -11.274 1.00 0.22 H new ATOM 0 HG3 ARG A 43 -7.492 -19.756 -10.901 1.00 0.22 H new ATOM 0 HD2 ARG A 43 -6.213 -19.772 -13.460 1.00 0.35 H new ATOM 0 HD3 ARG A 43 -7.864 -20.237 -13.101 1.00 0.35 H new ATOM 0 HE ARG A 43 -7.010 -17.435 -13.919 1.00 2.96 H new ATOM 0 HH11 ARG A 43 -9.556 -19.048 -12.432 1.00 5.14 H new ATOM 0 HH12 ARG A 43 -10.790 -18.606 -13.618 1.00 5.14 H new ATOM 0 HH21 ARG A 43 -8.413 -17.257 -15.861 1.00 3.66 H new ATOM 0 HH22 ARG A 43 -10.131 -17.574 -15.594 1.00 3.66 H new ATOM 702 N GLY A 44 -5.035 -16.118 -10.433 1.00 0.08 N ATOM 703 CA GLY A 44 -4.128 -14.932 -10.503 1.00 0.06 C ATOM 704 C GLY A 44 -2.713 -15.322 -10.040 1.00 0.05 C ATOM 705 O GLY A 44 -2.536 -16.097 -9.121 1.00 0.05 O ATOM 0 H GLY A 44 -4.663 -16.973 -10.848 1.00 0.08 H new ATOM 0 HA2 GLY A 44 -4.093 -14.550 -11.523 1.00 0.06 H new ATOM 0 HA3 GLY A 44 -4.516 -14.130 -9.876 1.00 0.06 H new ATOM 709 N ASP A 45 -1.742 -14.793 -10.710 1.00 0.08 N ATOM 710 CA ASP A 45 -0.320 -15.102 -10.352 1.00 0.09 C ATOM 711 C ASP A 45 0.026 -14.608 -8.950 1.00 0.07 C ATOM 712 O ASP A 45 -0.639 -13.745 -8.414 1.00 0.09 O ATOM 713 CB ASP A 45 0.582 -14.354 -11.341 1.00 0.09 C ATOM 714 CG ASP A 45 -0.222 -13.233 -12.005 1.00 1.87 C ATOM 715 OD1 ASP A 45 -0.377 -12.217 -11.347 1.00 3.00 O ATOM 716 OD2 ASP A 45 -0.635 -13.455 -13.131 1.00 2.96 O ATOM 0 H ASP A 45 -1.860 -14.155 -11.497 1.00 0.08 H new ATOM 0 HA ASP A 45 -0.178 -16.182 -10.389 1.00 0.09 H new ATOM 0 HB2 ASP A 45 1.446 -13.940 -10.822 1.00 0.09 H new ATOM 0 HB3 ASP A 45 0.963 -15.041 -12.096 1.00 0.09 H new ATOM 721 N TYR A 46 1.074 -15.151 -8.384 1.00 0.06 N ATOM 722 CA TYR A 46 1.465 -14.709 -7.020 1.00 0.11 C ATOM 723 C TYR A 46 2.951 -14.959 -6.754 1.00 0.38 C ATOM 724 O TYR A 46 3.365 -15.051 -5.615 1.00 0.86 O ATOM 725 CB TYR A 46 0.636 -15.492 -5.984 1.00 0.25 C ATOM 726 CG TYR A 46 0.962 -14.929 -4.602 1.00 0.34 C ATOM 727 CD1 TYR A 46 0.885 -13.570 -4.396 1.00 0.40 C ATOM 728 CD2 TYR A 46 1.538 -15.721 -3.619 1.00 0.39 C ATOM 729 CE1 TYR A 46 1.395 -13.001 -3.274 1.00 0.44 C ATOM 730 CE2 TYR A 46 2.058 -15.140 -2.483 1.00 0.45 C ATOM 731 CZ TYR A 46 1.991 -13.774 -2.299 1.00 0.45 C ATOM 732 OH TYR A 46 2.546 -13.189 -1.179 1.00 0.50 O ATOM 0 H TYR A 46 1.665 -15.869 -8.802 1.00 0.06 H new ATOM 0 HA TYR A 46 1.277 -13.638 -6.941 1.00 0.11 H new ATOM 0 HB2 TYR A 46 -0.429 -15.394 -6.195 1.00 0.25 H new ATOM 0 HB3 TYR A 46 0.874 -16.555 -6.029 1.00 0.25 H new ATOM 0 HD1 TYR A 46 0.411 -12.946 -5.139 1.00 0.40 H new ATOM 0 HD2 TYR A 46 1.579 -16.793 -3.744 1.00 0.39 H new ATOM 0 HE1 TYR A 46 1.333 -11.931 -3.143 1.00 0.44 H new ATOM 0 HE2 TYR A 46 2.522 -15.759 -1.730 1.00 0.45 H new ATOM 0 HH TYR A 46 2.920 -13.884 -0.598 1.00 0.50 H new ATOM 778 N LYS A 50 1.636 -19.217 -12.432 1.00 0.28 N ATOM 779 CA LYS A 50 0.749 -18.223 -13.076 1.00 0.22 C ATOM 780 C LYS A 50 -0.722 -18.615 -13.004 1.00 0.15 C ATOM 781 O LYS A 50 -1.191 -19.448 -13.752 1.00 0.16 O ATOM 782 CB LYS A 50 1.151 -18.094 -14.550 1.00 0.24 C ATOM 783 CG LYS A 50 0.359 -16.944 -15.189 1.00 0.61 C ATOM 784 CD LYS A 50 1.309 -16.002 -15.942 1.00 1.17 C ATOM 785 CE LYS A 50 1.866 -16.713 -17.181 1.00 1.95 C ATOM 786 NZ LYS A 50 3.148 -16.083 -17.613 1.00 1.79 N ATOM 0 HA LYS A 50 0.865 -17.280 -12.542 1.00 0.22 H new ATOM 0 HB2 LYS A 50 2.221 -17.905 -14.632 1.00 0.24 H new ATOM 0 HB3 LYS A 50 0.951 -19.027 -15.077 1.00 0.24 H new ATOM 0 HG2 LYS A 50 -0.388 -17.344 -15.875 1.00 0.61 H new ATOM 0 HG3 LYS A 50 -0.179 -16.391 -14.419 1.00 0.61 H new ATOM 0 HD2 LYS A 50 0.780 -15.096 -16.238 1.00 1.17 H new ATOM 0 HD3 LYS A 50 2.126 -15.695 -15.289 1.00 1.17 H new ATOM 0 HE2 LYS A 50 2.029 -17.768 -16.960 1.00 1.95 H new ATOM 0 HE3 LYS A 50 1.139 -16.666 -17.992 1.00 1.95 H new ATOM 0 HZ1 LYS A 50 3.512 -16.577 -18.453 1.00 1.79 H new ATOM 0 HZ2 LYS A 50 2.983 -15.082 -17.844 1.00 1.79 H new ATOM 0 HZ3 LYS A 50 3.844 -16.150 -16.844 1.00 1.79 H new ATOM 800 N GLN A 51 -1.398 -18.004 -12.072 1.00 0.12 N ATOM 801 CA GLN A 51 -2.849 -18.261 -11.865 1.00 0.05 C ATOM 802 C GLN A 51 -3.184 -19.628 -11.285 1.00 0.08 C ATOM 803 O GLN A 51 -3.448 -20.572 -12.006 1.00 0.11 O ATOM 804 CB GLN A 51 -3.580 -18.095 -13.206 1.00 0.09 C ATOM 805 CG GLN A 51 -3.030 -16.867 -13.939 1.00 0.20 C ATOM 806 CD GLN A 51 -4.195 -16.055 -14.500 1.00 0.40 C ATOM 807 OE1 GLN A 51 -4.971 -16.534 -15.303 1.00 0.92 O ATOM 808 NE2 GLN A 51 -4.355 -14.822 -14.104 1.00 0.68 N ATOM 0 H GLN A 51 -0.995 -17.321 -11.430 1.00 0.12 H new ATOM 0 HA GLN A 51 -3.178 -17.534 -11.122 1.00 0.05 H new ATOM 0 HB2 GLN A 51 -3.447 -18.987 -13.818 1.00 0.09 H new ATOM 0 HB3 GLN A 51 -4.651 -17.982 -13.037 1.00 0.09 H new ATOM 0 HG2 GLN A 51 -2.440 -16.255 -13.257 1.00 0.20 H new ATOM 0 HG3 GLN A 51 -2.365 -17.177 -14.745 1.00 0.20 H new ATOM 0 HE21 GLN A 51 -3.707 -14.415 -13.430 1.00 0.68 H new ATOM 0 HE22 GLN A 51 -5.128 -14.266 -14.468 1.00 0.68 H new ATOM 817 N LEU A 52 -3.169 -19.689 -9.979 1.00 0.13 N ATOM 818 CA LEU A 52 -3.488 -20.957 -9.277 1.00 0.19 C ATOM 819 C LEU A 52 -4.854 -20.756 -8.620 1.00 0.18 C ATOM 820 O LEU A 52 -5.830 -20.586 -9.323 1.00 0.19 O ATOM 821 CB LEU A 52 -2.411 -21.253 -8.210 1.00 0.22 C ATOM 822 CG LEU A 52 -1.011 -21.344 -8.856 1.00 0.27 C ATOM 823 CD1 LEU A 52 -0.071 -22.079 -7.897 1.00 0.37 C ATOM 824 CD2 LEU A 52 -1.054 -22.119 -10.173 1.00 0.29 C ATOM 0 H LEU A 52 -2.947 -18.904 -9.367 1.00 0.13 H new ATOM 0 HA LEU A 52 -3.508 -21.802 -9.966 1.00 0.19 H new ATOM 0 HB2 LEU A 52 -2.417 -20.469 -7.453 1.00 0.22 H new ATOM 0 HB3 LEU A 52 -2.644 -22.189 -7.702 1.00 0.22 H new ATOM 0 HG LEU A 52 -0.661 -20.331 -9.056 1.00 0.27 H new ATOM 0 HD11 LEU A 52 0.921 -22.149 -8.343 1.00 0.37 H new ATOM 0 HD12 LEU A 52 -0.009 -21.531 -6.957 1.00 0.37 H new ATOM 0 HD13 LEU A 52 -0.455 -23.081 -7.707 1.00 0.37 H new ATOM 0 HD21 LEU A 52 -0.053 -22.164 -10.601 1.00 0.29 H new ATOM 0 HD22 LEU A 52 -1.416 -23.130 -9.988 1.00 0.29 H new ATOM 0 HD23 LEU A 52 -1.724 -21.615 -10.870 1.00 0.29 H new ATOM 836 N TRP A 53 -4.938 -20.771 -7.312 1.00 0.18 N ATOM 837 CA TRP A 53 -6.294 -20.565 -6.714 1.00 0.18 C ATOM 838 C TRP A 53 -6.303 -20.047 -5.288 1.00 0.15 C ATOM 839 O TRP A 53 -5.471 -20.405 -4.485 1.00 0.19 O ATOM 840 CB TRP A 53 -7.027 -21.890 -6.671 1.00 0.29 C ATOM 841 CG TRP A 53 -7.408 -22.262 -8.079 1.00 0.31 C ATOM 842 CD1 TRP A 53 -6.820 -23.240 -8.760 1.00 0.38 C ATOM 843 CD2 TRP A 53 -8.323 -21.649 -8.820 1.00 0.32 C ATOM 844 NE1 TRP A 53 -7.435 -23.196 -9.948 1.00 0.38 N ATOM 845 CE2 TRP A 53 -8.385 -22.228 -10.070 1.00 0.32 C ATOM 846 CE3 TRP A 53 -9.092 -20.535 -8.535 1.00 0.43 C ATOM 847 CZ2 TRP A 53 -9.222 -21.693 -11.032 1.00 0.31 C ATOM 848 CZ3 TRP A 53 -9.911 -19.997 -9.501 1.00 0.49 C ATOM 849 CH2 TRP A 53 -9.979 -20.578 -10.748 1.00 0.40 C ATOM 0 H TRP A 53 -4.167 -20.910 -6.659 1.00 0.18 H new ATOM 0 HA TRP A 53 -6.760 -19.813 -7.351 1.00 0.18 H new ATOM 0 HB2 TRP A 53 -6.394 -22.661 -6.232 1.00 0.29 H new ATOM 0 HB3 TRP A 53 -7.916 -21.813 -6.044 1.00 0.29 H new ATOM 0 HD1 TRP A 53 -6.036 -23.908 -8.434 1.00 0.38 H new ATOM 0 HE1 TRP A 53 -7.209 -23.840 -10.706 1.00 0.38 H new ATOM 0 HE3 TRP A 53 -9.050 -20.087 -7.553 1.00 0.43 H new ATOM 0 HZ2 TRP A 53 -9.282 -22.151 -12.008 1.00 0.31 H new ATOM 0 HZ3 TRP A 53 -10.501 -19.119 -9.281 1.00 0.49 H new ATOM 0 HH2 TRP A 53 -10.627 -20.159 -11.504 1.00 0.40 H new ATOM 860 N PHE A 54 -7.242 -19.178 -5.012 1.00 0.12 N ATOM 861 CA PHE A 54 -7.336 -18.630 -3.638 1.00 0.07 C ATOM 862 C PHE A 54 -8.822 -18.524 -3.243 1.00 0.06 C ATOM 863 O PHE A 54 -9.611 -17.964 -3.970 1.00 0.10 O ATOM 864 CB PHE A 54 -6.716 -17.219 -3.509 1.00 0.04 C ATOM 865 CG PHE A 54 -6.044 -16.761 -4.778 1.00 0.08 C ATOM 866 CD1 PHE A 54 -5.013 -17.483 -5.329 1.00 0.04 C ATOM 867 CD2 PHE A 54 -6.516 -15.643 -5.427 1.00 0.18 C ATOM 868 CE1 PHE A 54 -4.477 -17.103 -6.528 1.00 0.06 C ATOM 869 CE2 PHE A 54 -5.994 -15.266 -6.606 1.00 0.17 C ATOM 870 CZ PHE A 54 -4.965 -15.992 -7.172 1.00 0.08 C ATOM 0 H PHE A 54 -7.937 -18.832 -5.674 1.00 0.12 H new ATOM 0 HA PHE A 54 -6.782 -19.307 -2.988 1.00 0.07 H new ATOM 0 HB2 PHE A 54 -7.496 -16.507 -3.238 1.00 0.04 H new ATOM 0 HB3 PHE A 54 -5.989 -17.219 -2.697 1.00 0.04 H new ATOM 0 HD1 PHE A 54 -4.626 -18.351 -4.815 1.00 0.04 H new ATOM 0 HD2 PHE A 54 -7.313 -15.064 -4.985 1.00 0.18 H new ATOM 0 HE1 PHE A 54 -3.673 -17.674 -6.967 1.00 0.06 H new ATOM 0 HE2 PHE A 54 -6.380 -14.393 -7.112 1.00 0.17 H new ATOM 0 HZ PHE A 54 -4.545 -15.687 -8.119 1.00 0.08 H new ATOM 880 N PRO A 55 -9.178 -19.032 -2.086 1.00 0.04 N ATOM 881 CA PRO A 55 -10.572 -18.982 -1.618 1.00 0.02 C ATOM 882 C PRO A 55 -11.201 -17.609 -1.699 1.00 0.03 C ATOM 883 O PRO A 55 -10.548 -16.603 -1.527 1.00 0.11 O ATOM 884 CB PRO A 55 -10.484 -19.318 -0.146 1.00 0.06 C ATOM 885 CG PRO A 55 -9.078 -19.925 0.112 1.00 0.12 C ATOM 886 CD PRO A 55 -8.237 -19.629 -1.118 1.00 0.06 C ATOM 0 HA PRO A 55 -11.176 -19.649 -2.234 1.00 0.02 H new ATOM 0 HB2 PRO A 55 -10.633 -18.425 0.461 1.00 0.06 H new ATOM 0 HB3 PRO A 55 -11.264 -20.026 0.133 1.00 0.06 H new ATOM 0 HG2 PRO A 55 -8.626 -19.488 1.003 1.00 0.12 H new ATOM 0 HG3 PRO A 55 -9.147 -20.999 0.283 1.00 0.12 H new ATOM 0 HD2 PRO A 55 -7.423 -18.943 -0.884 1.00 0.06 H new ATOM 0 HD3 PRO A 55 -7.785 -20.538 -1.515 1.00 0.06 H new ATOM 894 N SER A 56 -12.471 -17.607 -1.950 1.00 0.14 N ATOM 895 CA SER A 56 -13.190 -16.325 -2.036 1.00 0.17 C ATOM 896 C SER A 56 -13.677 -16.097 -0.628 1.00 0.25 C ATOM 897 O SER A 56 -14.431 -15.192 -0.329 1.00 0.30 O ATOM 898 CB SER A 56 -14.406 -16.457 -2.964 1.00 0.32 C ATOM 899 OG SER A 56 -15.005 -15.171 -2.930 1.00 2.50 O ATOM 0 H SER A 56 -13.040 -18.440 -2.099 1.00 0.14 H new ATOM 0 HA SER A 56 -12.564 -15.521 -2.423 1.00 0.17 H new ATOM 0 HB2 SER A 56 -14.108 -16.732 -3.976 1.00 0.32 H new ATOM 0 HB3 SER A 56 -15.094 -17.227 -2.614 1.00 0.32 H new ATOM 0 HG SER A 56 -15.046 -14.854 -2.004 1.00 2.50 H new ATOM 905 N ASN A 57 -13.181 -16.973 0.207 1.00 0.30 N ATOM 906 CA ASN A 57 -13.514 -16.953 1.627 1.00 0.46 C ATOM 907 C ASN A 57 -12.311 -16.411 2.356 1.00 0.51 C ATOM 908 O ASN A 57 -12.374 -16.078 3.524 1.00 0.68 O ATOM 909 CB ASN A 57 -13.763 -18.409 2.068 1.00 0.46 C ATOM 910 CG ASN A 57 -15.232 -18.563 2.467 1.00 0.49 C ATOM 911 OD1 ASN A 57 -15.927 -19.442 1.994 1.00 1.20 O ATOM 912 ND2 ASN A 57 -15.742 -17.730 3.332 1.00 1.39 N ATOM 0 H ASN A 57 -12.540 -17.718 -0.064 1.00 0.30 H new ATOM 0 HA ASN A 57 -14.394 -16.344 1.834 1.00 0.46 H new ATOM 0 HB2 ASN A 57 -13.519 -19.095 1.257 1.00 0.46 H new ATOM 0 HB3 ASN A 57 -13.116 -18.664 2.907 1.00 0.46 H new ATOM 0 HD21 ASN A 57 -16.720 -17.817 3.609 1.00 1.39 H new ATOM 0 HD22 ASN A 57 -15.163 -16.991 3.731 1.00 1.39 H new ATOM 919 N TYR A 58 -11.226 -16.348 1.624 1.00 0.41 N ATOM 920 CA TYR A 58 -9.975 -15.833 2.220 1.00 0.53 C ATOM 921 C TYR A 58 -9.577 -14.483 1.625 1.00 0.67 C ATOM 922 O TYR A 58 -9.224 -13.566 2.335 1.00 1.54 O ATOM 923 CB TYR A 58 -8.810 -16.798 1.918 1.00 0.42 C ATOM 924 CG TYR A 58 -8.754 -17.960 2.932 1.00 0.30 C ATOM 925 CD1 TYR A 58 -9.814 -18.867 3.090 1.00 0.30 C ATOM 926 CD2 TYR A 58 -7.630 -18.105 3.733 1.00 0.28 C ATOM 927 CE1 TYR A 58 -9.737 -19.860 4.042 1.00 0.33 C ATOM 928 CE2 TYR A 58 -7.572 -19.108 4.681 1.00 0.39 C ATOM 929 CZ TYR A 58 -8.620 -19.988 4.840 1.00 0.42 C ATOM 930 OH TYR A 58 -8.552 -20.988 5.787 1.00 0.60 O ATOM 0 H TYR A 58 -11.161 -16.631 0.646 1.00 0.41 H new ATOM 0 HA TYR A 58 -10.158 -15.735 3.290 1.00 0.53 H new ATOM 0 HB2 TYR A 58 -8.922 -17.199 0.911 1.00 0.42 H new ATOM 0 HB3 TYR A 58 -7.868 -16.250 1.940 1.00 0.42 H new ATOM 0 HD1 TYR A 58 -10.691 -18.786 2.465 1.00 0.30 H new ATOM 0 HD2 TYR A 58 -6.796 -17.430 3.614 1.00 0.28 H new ATOM 0 HE1 TYR A 58 -10.562 -20.546 4.165 1.00 0.33 H new ATOM 0 HE2 TYR A 58 -6.695 -19.203 5.304 1.00 0.39 H new ATOM 0 HH TYR A 58 -7.695 -20.934 6.259 1.00 0.60 H new ATOM 940 N VAL A 59 -9.656 -14.390 0.325 1.00 0.33 N ATOM 941 CA VAL A 59 -9.279 -13.116 -0.349 1.00 0.28 C ATOM 942 C VAL A 59 -10.459 -12.216 -0.712 1.00 0.45 C ATOM 943 O VAL A 59 -11.598 -12.637 -0.738 1.00 0.95 O ATOM 944 CB VAL A 59 -8.582 -13.508 -1.643 1.00 0.50 C ATOM 945 CG1 VAL A 59 -7.632 -14.659 -1.330 1.00 0.60 C ATOM 946 CG2 VAL A 59 -9.633 -13.950 -2.685 1.00 0.63 C ATOM 0 H VAL A 59 -9.964 -15.138 -0.297 1.00 0.33 H new ATOM 0 HA VAL A 59 -8.661 -12.545 0.344 1.00 0.28 H new ATOM 0 HB VAL A 59 -8.027 -12.665 -2.054 1.00 0.50 H new ATOM 0 HG11 VAL A 59 -7.116 -14.963 -2.241 1.00 0.60 H new ATOM 0 HG12 VAL A 59 -6.900 -14.336 -0.589 1.00 0.60 H new ATOM 0 HG13 VAL A 59 -8.199 -15.502 -0.936 1.00 0.60 H new ATOM 0 HG21 VAL A 59 -9.131 -14.230 -3.611 1.00 0.63 H new ATOM 0 HG22 VAL A 59 -10.189 -14.805 -2.301 1.00 0.63 H new ATOM 0 HG23 VAL A 59 -10.321 -13.127 -2.880 1.00 0.63 H new ATOM 956 N GLU A 60 -10.127 -10.980 -0.989 1.00 0.31 N ATOM 957 CA GLU A 60 -11.154 -9.976 -1.369 1.00 0.38 C ATOM 958 C GLU A 60 -10.524 -8.956 -2.301 1.00 0.44 C ATOM 959 O GLU A 60 -9.493 -8.398 -1.993 1.00 0.31 O ATOM 960 CB GLU A 60 -11.630 -9.216 -0.121 1.00 0.36 C ATOM 961 CG GLU A 60 -13.022 -9.707 0.295 1.00 0.59 C ATOM 962 CD GLU A 60 -13.560 -8.799 1.401 1.00 0.53 C ATOM 963 OE1 GLU A 60 -12.931 -7.775 1.611 1.00 0.58 O ATOM 964 OE2 GLU A 60 -14.573 -9.176 1.970 1.00 0.89 O ATOM 0 H GLU A 60 -9.172 -10.624 -0.966 1.00 0.31 H new ATOM 0 HA GLU A 60 -11.989 -10.490 -1.845 1.00 0.38 H new ATOM 0 HB2 GLU A 60 -10.924 -9.364 0.696 1.00 0.36 H new ATOM 0 HB3 GLU A 60 -11.659 -8.146 -0.326 1.00 0.36 H new ATOM 0 HG2 GLU A 60 -13.696 -9.697 -0.561 1.00 0.59 H new ATOM 0 HG3 GLU A 60 -12.968 -10.737 0.647 1.00 0.59 H new