USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 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 Set 1.1: A 10 LYS NZ :NH3+ 176:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 LYS NZ :NH3+ 160:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -172:sc= -2.28! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= 0.37 F(o=-2.7!,f=0.37) USER MOD Single : A 24 THR OG1 : rot -74:sc= 0.252 USER MOD Single : A 28 SER OG : rot -36:sc= 0.405 USER MOD Single : A 32 GLN :FLIP amide:sc= -2.41! C(o=-4.5!,f=-2.4!) USER MOD Single : A 33 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= -0.414 (180deg=-1.43!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.332 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0824) USER MOD Single : A 51 GLN :FLIP amide:sc= -8.06! C(o=-15!,f=-8.1!) USER MOD Single : A 56 SER OG : rot 150:sc= -0.336 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ALA A 8 -6.308 -7.164 -9.225 1.00 0.58 N ATOM 103 CA ALA A 8 -5.582 -7.866 -8.131 1.00 0.60 C ATOM 104 C ALA A 8 -6.427 -8.110 -6.881 1.00 0.77 C ATOM 105 O ALA A 8 -7.617 -7.863 -6.856 1.00 1.03 O ATOM 106 CB ALA A 8 -4.382 -6.998 -7.740 1.00 0.50 C ATOM 0 HA ALA A 8 -5.295 -8.847 -8.509 1.00 0.60 H new ATOM 0 HB1 ALA A 8 -3.827 -7.485 -6.938 1.00 0.50 H new ATOM 0 HB2 ALA A 8 -3.731 -6.866 -8.604 1.00 0.50 H new ATOM 0 HB3 ALA A 8 -4.733 -6.024 -7.399 1.00 0.50 H new ATOM 112 N VAL A 9 -5.761 -8.597 -5.861 1.00 0.65 N ATOM 113 CA VAL A 9 -6.438 -8.889 -4.576 1.00 0.82 C ATOM 114 C VAL A 9 -5.501 -8.590 -3.421 1.00 0.62 C ATOM 115 O VAL A 9 -4.370 -8.190 -3.609 1.00 0.51 O ATOM 116 CB VAL A 9 -6.747 -10.403 -4.530 1.00 1.11 C ATOM 117 CG1 VAL A 9 -7.911 -10.703 -3.576 1.00 2.00 C ATOM 118 CG2 VAL A 9 -7.095 -10.884 -5.932 1.00 2.52 C ATOM 0 H VAL A 9 -4.762 -8.805 -5.873 1.00 0.65 H new ATOM 0 HA VAL A 9 -7.342 -8.285 -4.497 1.00 0.82 H new ATOM 0 HB VAL A 9 -5.865 -10.927 -4.162 1.00 1.11 H new ATOM 0 HG11 VAL A 9 -8.105 -11.776 -3.565 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -7.652 -10.370 -2.571 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -8.803 -10.176 -3.914 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -7.314 -11.951 -5.907 1.00 2.52 H new ATOM 0 HG22 VAL A 9 -7.968 -10.343 -6.296 1.00 2.52 H new ATOM 0 HG23 VAL A 9 -6.252 -10.702 -6.599 1.00 2.52 H new ATOM 128 N LYS A 10 -6.003 -8.793 -2.252 1.00 0.60 N ATOM 129 CA LYS A 10 -5.192 -8.547 -1.044 1.00 0.45 C ATOM 130 C LYS A 10 -5.621 -9.536 0.041 1.00 0.39 C ATOM 131 O LYS A 10 -6.430 -9.225 0.892 1.00 0.41 O ATOM 132 CB LYS A 10 -5.442 -7.114 -0.564 1.00 0.55 C ATOM 133 CG LYS A 10 -4.288 -6.681 0.337 1.00 0.49 C ATOM 134 CD LYS A 10 -4.835 -5.814 1.472 1.00 0.82 C ATOM 135 CE LYS A 10 -3.672 -5.111 2.171 1.00 1.20 C ATOM 136 NZ LYS A 10 -3.826 -5.192 3.651 1.00 2.41 N ATOM 0 H LYS A 10 -6.952 -9.123 -2.077 1.00 0.60 H new ATOM 0 HA LYS A 10 -4.132 -8.677 -1.262 1.00 0.45 H new ATOM 0 HB2 LYS A 10 -5.526 -6.441 -1.417 1.00 0.55 H new ATOM 0 HB3 LYS A 10 -6.385 -7.059 -0.020 1.00 0.55 H new ATOM 0 HG2 LYS A 10 -3.780 -7.556 0.744 1.00 0.49 H new ATOM 0 HG3 LYS A 10 -3.550 -6.123 -0.240 1.00 0.49 H new ATOM 0 HD2 LYS A 10 -5.537 -5.079 1.078 1.00 0.82 H new ATOM 0 HD3 LYS A 10 -5.384 -6.430 2.184 1.00 0.82 H new ATOM 0 HE2 LYS A 10 -2.730 -5.570 1.872 1.00 1.20 H new ATOM 0 HE3 LYS A 10 -3.631 -4.067 1.860 1.00 1.20 H new ATOM 0 HZ1 LYS A 10 -2.994 -4.769 4.110 1.00 2.41 H new ATOM 0 HZ2 LYS A 10 -4.681 -4.675 3.940 1.00 2.41 H new ATOM 0 HZ3 LYS A 10 -3.910 -6.188 3.937 1.00 2.41 H new ATOM 150 N ALA A 11 -5.068 -10.717 -0.031 1.00 0.33 N ATOM 151 CA ALA A 11 -5.409 -11.769 0.965 1.00 0.28 C ATOM 152 C ALA A 11 -5.585 -11.208 2.371 1.00 0.26 C ATOM 153 O ALA A 11 -4.673 -10.640 2.933 1.00 0.24 O ATOM 154 CB ALA A 11 -4.250 -12.769 0.976 1.00 0.26 C ATOM 0 H ALA A 11 -4.392 -10.998 -0.741 1.00 0.33 H new ATOM 0 HA ALA A 11 -6.356 -12.228 0.682 1.00 0.28 H new ATOM 0 HB1 ALA A 11 -4.459 -13.561 1.696 1.00 0.26 H new ATOM 0 HB2 ALA A 11 -4.134 -13.203 -0.017 1.00 0.26 H new ATOM 0 HB3 ALA A 11 -3.330 -12.257 1.258 1.00 0.26 H new ATOM 160 N LEU A 12 -6.770 -11.358 2.910 1.00 0.25 N ATOM 161 CA LEU A 12 -7.004 -10.839 4.279 1.00 0.18 C ATOM 162 C LEU A 12 -6.606 -11.921 5.272 1.00 0.32 C ATOM 163 O LEU A 12 -6.232 -11.639 6.393 1.00 0.36 O ATOM 164 CB LEU A 12 -8.498 -10.506 4.489 1.00 0.11 C ATOM 165 CG LEU A 12 -9.095 -9.835 3.241 1.00 0.09 C ATOM 166 CD1 LEU A 12 -10.596 -9.632 3.466 1.00 0.29 C ATOM 167 CD2 LEU A 12 -8.456 -8.460 3.014 1.00 0.33 C ATOM 0 H LEU A 12 -7.569 -11.810 2.465 1.00 0.25 H new ATOM 0 HA LEU A 12 -6.417 -9.932 4.424 1.00 0.18 H new ATOM 0 HB2 LEU A 12 -9.049 -11.419 4.714 1.00 0.11 H new ATOM 0 HB3 LEU A 12 -8.609 -9.846 5.349 1.00 0.11 H new ATOM 0 HG LEU A 12 -8.908 -10.469 2.374 1.00 0.09 H new ATOM 0 HD11 LEU A 12 -11.034 -9.156 2.589 1.00 0.29 H new ATOM 0 HD12 LEU A 12 -11.073 -10.598 3.632 1.00 0.29 H new ATOM 0 HD13 LEU A 12 -10.751 -8.997 4.338 1.00 0.29 H new ATOM 0 HD21 LEU A 12 -8.890 -7.999 2.127 1.00 0.33 H new ATOM 0 HD22 LEU A 12 -8.642 -7.825 3.880 1.00 0.33 H new ATOM 0 HD23 LEU A 12 -7.381 -8.577 2.873 1.00 0.33 H new ATOM 179 N PHE A 13 -6.712 -13.155 4.834 1.00 0.44 N ATOM 180 CA PHE A 13 -6.347 -14.302 5.721 1.00 0.60 C ATOM 181 C PHE A 13 -5.075 -14.962 5.179 1.00 0.57 C ATOM 182 O PHE A 13 -4.775 -14.851 4.007 1.00 1.02 O ATOM 183 CB PHE A 13 -7.487 -15.349 5.725 1.00 0.69 C ATOM 184 CG PHE A 13 -8.844 -14.761 6.196 1.00 0.63 C ATOM 185 CD1 PHE A 13 -8.955 -13.504 6.784 1.00 0.62 C ATOM 186 CD2 PHE A 13 -10.006 -15.498 6.001 1.00 0.72 C ATOM 187 CE1 PHE A 13 -10.183 -13.003 7.146 1.00 0.59 C ATOM 188 CE2 PHE A 13 -11.235 -14.989 6.369 1.00 0.79 C ATOM 189 CZ PHE A 13 -11.323 -13.744 6.939 1.00 0.69 C ATOM 0 H PHE A 13 -7.035 -13.415 3.902 1.00 0.44 H new ATOM 0 HA PHE A 13 -6.185 -13.937 6.735 1.00 0.60 H new ATOM 0 HB2 PHE A 13 -7.602 -15.757 4.721 1.00 0.69 H new ATOM 0 HB3 PHE A 13 -7.210 -16.178 6.376 1.00 0.69 H new ATOM 0 HD1 PHE A 13 -8.066 -12.916 6.958 1.00 0.62 H new ATOM 0 HD2 PHE A 13 -9.947 -16.480 5.556 1.00 0.72 H new ATOM 0 HE1 PHE A 13 -10.253 -12.023 7.595 1.00 0.59 H new ATOM 0 HE2 PHE A 13 -12.130 -15.572 6.208 1.00 0.79 H new ATOM 0 HZ PHE A 13 -12.286 -13.347 7.225 1.00 0.69 H new ATOM 199 N ASP A 14 -4.353 -15.639 6.031 1.00 0.22 N ATOM 200 CA ASP A 14 -3.102 -16.301 5.565 1.00 0.24 C ATOM 201 C ASP A 14 -3.362 -17.677 4.944 1.00 0.21 C ATOM 202 O ASP A 14 -4.411 -18.255 5.121 1.00 0.44 O ATOM 203 CB ASP A 14 -2.185 -16.478 6.777 1.00 0.25 C ATOM 204 CG ASP A 14 -2.805 -15.768 7.985 1.00 0.78 C ATOM 205 OD1 ASP A 14 -2.962 -14.561 7.882 1.00 0.99 O ATOM 206 OD2 ASP A 14 -3.089 -16.471 8.939 1.00 1.18 O ATOM 0 H ASP A 14 -4.573 -15.761 7.020 1.00 0.22 H new ATOM 0 HA ASP A 14 -2.651 -15.674 4.796 1.00 0.24 H new ATOM 0 HB2 ASP A 14 -2.049 -17.538 6.993 1.00 0.25 H new ATOM 0 HB3 ASP A 14 -1.198 -16.066 6.565 1.00 0.25 H new ATOM 211 N TYR A 15 -2.385 -18.166 4.224 1.00 0.32 N ATOM 212 CA TYR A 15 -2.520 -19.500 3.569 1.00 0.35 C ATOM 213 C TYR A 15 -1.191 -20.252 3.655 1.00 0.41 C ATOM 214 O TYR A 15 -0.188 -19.692 4.048 1.00 0.41 O ATOM 215 CB TYR A 15 -2.862 -19.283 2.088 1.00 0.33 C ATOM 216 CG TYR A 15 -3.556 -20.526 1.522 1.00 0.34 C ATOM 217 CD1 TYR A 15 -2.824 -21.638 1.177 1.00 0.39 C ATOM 218 CD2 TYR A 15 -4.928 -20.576 1.428 1.00 0.29 C ATOM 219 CE1 TYR A 15 -3.431 -22.786 0.769 1.00 0.39 C ATOM 220 CE2 TYR A 15 -5.559 -21.738 1.006 1.00 0.31 C ATOM 221 CZ TYR A 15 -4.807 -22.858 0.680 1.00 0.36 C ATOM 222 OH TYR A 15 -5.420 -24.048 0.348 1.00 0.40 O ATOM 0 H TYR A 15 -1.495 -17.695 4.061 1.00 0.32 H new ATOM 0 HA TYR A 15 -3.300 -20.076 4.066 1.00 0.35 H new ATOM 0 HB2 TYR A 15 -3.510 -18.414 1.980 1.00 0.33 H new ATOM 0 HB3 TYR A 15 -1.953 -19.075 1.523 1.00 0.33 H new ATOM 0 HD1 TYR A 15 -1.746 -21.600 1.231 1.00 0.39 H new ATOM 0 HD2 TYR A 15 -5.516 -19.707 1.684 1.00 0.29 H new ATOM 0 HE1 TYR A 15 -2.832 -23.647 0.513 1.00 0.39 H new ATOM 0 HE2 TYR A 15 -6.636 -21.771 0.931 1.00 0.31 H new ATOM 0 HH TYR A 15 -6.377 -23.894 0.202 1.00 0.40 H new ATOM 232 N LYS A 16 -1.206 -21.504 3.291 1.00 0.46 N ATOM 233 CA LYS A 16 0.057 -22.289 3.350 1.00 0.51 C ATOM 234 C LYS A 16 0.131 -23.417 2.306 1.00 0.51 C ATOM 235 O LYS A 16 0.226 -24.575 2.660 1.00 0.54 O ATOM 236 CB LYS A 16 0.183 -22.898 4.748 1.00 0.60 C ATOM 237 CG LYS A 16 1.655 -23.210 5.024 1.00 0.60 C ATOM 238 CD LYS A 16 2.309 -22.001 5.701 1.00 2.66 C ATOM 239 CE LYS A 16 3.786 -22.308 5.966 1.00 2.38 C ATOM 240 NZ LYS A 16 4.623 -21.097 5.734 1.00 4.92 N ATOM 0 H LYS A 16 -2.026 -22.012 2.960 1.00 0.46 H new ATOM 0 HA LYS A 16 0.874 -21.602 3.128 1.00 0.51 H new ATOM 0 HB2 LYS A 16 -0.202 -22.205 5.497 1.00 0.60 H new ATOM 0 HB3 LYS A 16 -0.414 -23.807 4.818 1.00 0.60 H new ATOM 0 HG2 LYS A 16 1.739 -24.089 5.663 1.00 0.60 H new ATOM 0 HG3 LYS A 16 2.170 -23.443 4.092 1.00 0.60 H new ATOM 0 HD2 LYS A 16 2.217 -21.120 5.066 1.00 2.66 H new ATOM 0 HD3 LYS A 16 1.799 -21.774 6.637 1.00 2.66 H new ATOM 0 HE2 LYS A 16 3.913 -22.653 6.992 1.00 2.38 H new ATOM 0 HE3 LYS A 16 4.118 -23.116 5.314 1.00 2.38 H new ATOM 0 HZ1 LYS A 16 5.621 -21.324 5.919 1.00 4.92 H new ATOM 0 HZ2 LYS A 16 4.516 -20.785 4.748 1.00 4.92 H new ATOM 0 HZ3 LYS A 16 4.317 -20.336 6.374 1.00 4.92 H new ATOM 254 N ALA A 17 0.087 -23.056 1.042 1.00 0.48 N ATOM 255 CA ALA A 17 0.165 -24.098 -0.031 1.00 0.48 C ATOM 256 C ALA A 17 1.512 -23.983 -0.689 1.00 0.44 C ATOM 257 O ALA A 17 2.236 -24.942 -0.856 1.00 0.54 O ATOM 258 CB ALA A 17 -0.853 -23.835 -1.142 1.00 0.45 C ATOM 0 H ALA A 17 0.001 -22.095 0.712 1.00 0.48 H new ATOM 0 HA ALA A 17 -0.018 -25.069 0.429 1.00 0.48 H new ATOM 0 HB1 ALA A 17 -0.769 -24.610 -1.904 1.00 0.45 H new ATOM 0 HB2 ALA A 17 -1.859 -23.846 -0.723 1.00 0.45 H new ATOM 0 HB3 ALA A 17 -0.657 -22.862 -1.592 1.00 0.45 H new ATOM 264 N GLN A 18 1.774 -22.763 -1.052 1.00 0.33 N ATOM 265 CA GLN A 18 3.051 -22.395 -1.727 1.00 0.31 C ATOM 266 C GLN A 18 2.901 -22.608 -3.222 1.00 0.37 C ATOM 267 O GLN A 18 3.325 -21.792 -4.013 1.00 0.48 O ATOM 268 CB GLN A 18 4.206 -23.270 -1.197 1.00 0.38 C ATOM 269 CG GLN A 18 5.554 -22.564 -1.418 1.00 0.33 C ATOM 270 CD GLN A 18 6.591 -23.148 -0.460 1.00 0.26 C ATOM 271 OE1 GLN A 18 7.436 -24.034 -0.909 1.00 0.71 O flip ATOM 272 NE2 GLN A 18 6.643 -22.803 0.705 1.00 1.23 N flip ATOM 0 H GLN A 18 1.138 -21.979 -0.905 1.00 0.33 H new ATOM 0 HA GLN A 18 3.278 -21.349 -1.520 1.00 0.31 H new ATOM 0 HB2 GLN A 18 4.062 -23.470 -0.135 1.00 0.38 H new ATOM 0 HB3 GLN A 18 4.205 -24.234 -1.706 1.00 0.38 H new ATOM 0 HG2 GLN A 18 5.881 -22.694 -2.450 1.00 0.33 H new ATOM 0 HG3 GLN A 18 5.449 -21.492 -1.249 1.00 0.33 H new ATOM 0 HE21 GLN A 18 5.985 -22.110 1.062 1.00 1.23 H new ATOM 0 HE22 GLN A 18 7.345 -23.206 1.325 1.00 1.23 H new ATOM 281 N ARG A 19 2.278 -23.699 -3.564 1.00 0.37 N ATOM 282 CA ARG A 19 2.068 -24.016 -5.004 1.00 0.53 C ATOM 283 C ARG A 19 1.452 -25.397 -5.148 1.00 0.28 C ATOM 284 O ARG A 19 2.052 -26.294 -5.708 1.00 0.65 O ATOM 285 CB ARG A 19 3.405 -23.995 -5.764 1.00 1.05 C ATOM 286 CG ARG A 19 4.476 -24.730 -4.956 1.00 1.98 C ATOM 287 CD ARG A 19 5.217 -25.709 -5.878 1.00 1.56 C ATOM 288 NE ARG A 19 6.186 -26.510 -5.075 1.00 1.48 N ATOM 289 CZ ARG A 19 6.850 -25.936 -4.111 1.00 2.75 C ATOM 290 NH1 ARG A 19 7.932 -25.266 -4.402 1.00 2.75 N ATOM 291 NH2 ARG A 19 6.406 -26.048 -2.889 1.00 4.86 N ATOM 0 H ARG A 19 1.905 -24.386 -2.909 1.00 0.37 H new ATOM 0 HA ARG A 19 1.400 -23.262 -5.421 1.00 0.53 H new ATOM 0 HB2 ARG A 19 3.286 -24.466 -6.740 1.00 1.05 H new ATOM 0 HB3 ARG A 19 3.715 -22.966 -5.943 1.00 1.05 H new ATOM 0 HG2 ARG A 19 5.177 -24.016 -4.524 1.00 1.98 H new ATOM 0 HG3 ARG A 19 4.018 -25.268 -4.126 1.00 1.98 H new ATOM 0 HD2 ARG A 19 4.505 -26.369 -6.373 1.00 1.56 H new ATOM 0 HD3 ARG A 19 5.742 -25.162 -6.661 1.00 1.56 H new ATOM 0 HE ARG A 19 6.328 -27.499 -5.279 1.00 1.48 H new ATOM 0 HH11 ARG A 19 8.245 -25.198 -5.370 1.00 2.75 H new ATOM 0 HH12 ARG A 19 8.464 -24.810 -3.661 1.00 2.75 H new ATOM 0 HH21 ARG A 19 5.554 -26.577 -2.702 1.00 4.86 H new ATOM 0 HH22 ARG A 19 6.911 -25.606 -2.120 1.00 4.86 H new ATOM 305 N GLU A 20 0.258 -25.530 -4.643 1.00 0.58 N ATOM 306 CA GLU A 20 -0.440 -26.851 -4.733 1.00 0.80 C ATOM 307 C GLU A 20 -1.605 -26.705 -5.677 1.00 0.76 C ATOM 308 O GLU A 20 -2.442 -27.575 -5.783 1.00 1.11 O ATOM 309 CB GLU A 20 -0.996 -27.224 -3.343 1.00 0.78 C ATOM 310 CG GLU A 20 -2.336 -26.500 -3.091 1.00 0.34 C ATOM 311 CD GLU A 20 -2.758 -26.713 -1.636 1.00 1.91 C ATOM 312 OE1 GLU A 20 -1.874 -27.009 -0.850 1.00 2.76 O ATOM 313 OE2 GLU A 20 -3.944 -26.560 -1.393 1.00 2.51 O ATOM 0 H GLU A 20 -0.265 -24.790 -4.175 1.00 0.58 H new ATOM 0 HA GLU A 20 0.253 -27.617 -5.080 1.00 0.80 H new ATOM 0 HB2 GLU A 20 -1.140 -28.303 -3.279 1.00 0.78 H new ATOM 0 HB3 GLU A 20 -0.277 -26.952 -2.571 1.00 0.78 H new ATOM 0 HG2 GLU A 20 -2.232 -25.435 -3.300 1.00 0.34 H new ATOM 0 HG3 GLU A 20 -3.103 -26.884 -3.764 1.00 0.34 H new ATOM 320 N ASP A 21 -1.559 -25.594 -6.347 1.00 0.83 N ATOM 321 CA ASP A 21 -2.573 -25.167 -7.338 1.00 0.69 C ATOM 322 C ASP A 21 -3.187 -23.984 -6.613 1.00 0.68 C ATOM 323 O ASP A 21 -3.958 -23.211 -7.129 1.00 1.75 O ATOM 324 CB ASP A 21 -3.636 -26.247 -7.631 1.00 0.64 C ATOM 325 CG ASP A 21 -2.964 -27.480 -8.245 1.00 0.22 C ATOM 326 OD1 ASP A 21 -1.962 -27.275 -8.910 1.00 0.45 O ATOM 327 OD2 ASP A 21 -3.492 -28.554 -8.013 1.00 0.34 O ATOM 0 H ASP A 21 -0.802 -24.919 -6.236 1.00 0.83 H new ATOM 0 HA ASP A 21 -2.153 -24.953 -8.321 1.00 0.69 H new ATOM 0 HB2 ASP A 21 -4.152 -26.522 -6.711 1.00 0.64 H new ATOM 0 HB3 ASP A 21 -4.389 -25.854 -8.314 1.00 0.64 H new ATOM 332 N GLU A 22 -2.744 -23.911 -5.375 1.00 0.58 N ATOM 333 CA GLU A 22 -3.146 -22.864 -4.411 1.00 0.28 C ATOM 334 C GLU A 22 -1.813 -22.334 -3.851 1.00 0.24 C ATOM 335 O GLU A 22 -0.802 -22.949 -4.130 1.00 0.22 O ATOM 336 CB GLU A 22 -3.976 -23.540 -3.300 1.00 0.36 C ATOM 337 CG GLU A 22 -5.191 -22.686 -2.937 1.00 0.27 C ATOM 338 CD GLU A 22 -6.115 -23.484 -2.022 1.00 0.40 C ATOM 339 OE1 GLU A 22 -6.138 -24.692 -2.193 1.00 0.48 O ATOM 340 OE2 GLU A 22 -6.749 -22.842 -1.203 1.00 1.01 O ATOM 0 H GLU A 22 -2.081 -24.582 -4.987 1.00 0.58 H new ATOM 0 HA GLU A 22 -3.745 -22.062 -4.843 1.00 0.28 H new ATOM 0 HB2 GLU A 22 -4.304 -24.525 -3.633 1.00 0.36 H new ATOM 0 HB3 GLU A 22 -3.355 -23.692 -2.417 1.00 0.36 H new ATOM 0 HG2 GLU A 22 -4.871 -21.770 -2.440 1.00 0.27 H new ATOM 0 HG3 GLU A 22 -5.724 -22.389 -3.840 1.00 0.27 H new ATOM 347 N LEU A 23 -1.774 -21.217 -3.131 1.00 0.25 N ATOM 348 CA LEU A 23 -0.418 -20.759 -2.615 1.00 0.21 C ATOM 349 C LEU A 23 -0.427 -20.415 -1.136 1.00 0.23 C ATOM 350 O LEU A 23 -1.464 -20.213 -0.545 1.00 0.26 O ATOM 351 CB LEU A 23 0.108 -19.498 -3.325 1.00 0.14 C ATOM 352 CG LEU A 23 -0.417 -19.391 -4.752 1.00 0.22 C ATOM 353 CD1 LEU A 23 -1.137 -18.056 -5.016 1.00 0.23 C ATOM 354 CD2 LEU A 23 0.789 -19.514 -5.678 1.00 0.37 C ATOM 0 H LEU A 23 -2.573 -20.631 -2.888 1.00 0.25 H new ATOM 0 HA LEU A 23 0.223 -21.618 -2.815 1.00 0.21 H new ATOM 0 HB2 LEU A 23 -0.188 -18.613 -2.761 1.00 0.14 H new ATOM 0 HB3 LEU A 23 1.198 -19.517 -3.339 1.00 0.14 H new ATOM 0 HG LEU A 23 -1.151 -20.178 -4.925 1.00 0.22 H new ATOM 0 HD11 LEU A 23 -1.491 -18.031 -6.047 1.00 0.23 H new ATOM 0 HD12 LEU A 23 -1.985 -17.960 -4.338 1.00 0.23 H new ATOM 0 HD13 LEU A 23 -0.445 -17.230 -4.850 1.00 0.23 H new ATOM 0 HD21 LEU A 23 0.460 -19.443 -6.715 1.00 0.37 H new ATOM 0 HD22 LEU A 23 1.495 -18.711 -5.465 1.00 0.37 H new ATOM 0 HD23 LEU A 23 1.275 -20.476 -5.517 1.00 0.37 H new ATOM 366 N THR A 24 0.763 -20.284 -0.599 1.00 0.24 N ATOM 367 CA THR A 24 0.914 -19.951 0.833 1.00 0.30 C ATOM 368 C THR A 24 0.895 -18.470 1.001 1.00 0.26 C ATOM 369 O THR A 24 1.426 -17.934 1.955 1.00 0.32 O ATOM 370 CB THR A 24 2.261 -20.470 1.339 1.00 0.39 C ATOM 371 OG1 THR A 24 2.376 -19.980 2.664 1.00 0.47 O ATOM 372 CG2 THR A 24 3.417 -19.796 0.607 1.00 0.36 C ATOM 0 H THR A 24 1.640 -20.397 -1.107 1.00 0.24 H new ATOM 0 HA THR A 24 0.098 -20.408 1.393 1.00 0.30 H new ATOM 0 HB THR A 24 2.301 -21.553 1.220 1.00 0.39 H new ATOM 0 HG1 THR A 24 2.568 -19.019 2.642 1.00 0.47 H new ATOM 0 HG21 THR A 24 4.363 -20.183 0.986 1.00 0.36 H new ATOM 0 HG22 THR A 24 3.342 -20.003 -0.461 1.00 0.36 H new ATOM 0 HG23 THR A 24 3.374 -18.719 0.772 1.00 0.36 H new ATOM 380 N PHE A 25 0.299 -17.833 0.057 1.00 0.18 N ATOM 381 CA PHE A 25 0.232 -16.376 0.137 1.00 0.19 C ATOM 382 C PHE A 25 -0.217 -15.998 1.544 1.00 0.18 C ATOM 383 O PHE A 25 -1.042 -16.671 2.130 1.00 0.10 O ATOM 384 CB PHE A 25 -0.729 -15.877 -0.931 1.00 0.16 C ATOM 385 CG PHE A 25 -2.102 -16.512 -0.773 1.00 0.09 C ATOM 386 CD1 PHE A 25 -2.960 -16.114 0.233 1.00 0.17 C ATOM 387 CD2 PHE A 25 -2.527 -17.457 -1.682 1.00 0.10 C ATOM 388 CE1 PHE A 25 -4.226 -16.651 0.318 1.00 0.24 C ATOM 389 CE2 PHE A 25 -3.770 -17.994 -1.607 1.00 0.14 C ATOM 390 CZ PHE A 25 -4.628 -17.592 -0.605 1.00 0.21 C ATOM 0 H PHE A 25 -0.141 -18.256 -0.760 1.00 0.18 H new ATOM 0 HA PHE A 25 1.201 -15.912 -0.046 1.00 0.19 H new ATOM 0 HB2 PHE A 25 -0.817 -14.792 -0.867 1.00 0.16 H new ATOM 0 HB3 PHE A 25 -0.330 -16.107 -1.919 1.00 0.16 H new ATOM 0 HD1 PHE A 25 -2.638 -15.379 0.956 1.00 0.17 H new ATOM 0 HD2 PHE A 25 -1.858 -17.775 -2.468 1.00 0.10 H new ATOM 0 HE1 PHE A 25 -4.899 -16.337 1.102 1.00 0.24 H new ATOM 0 HE2 PHE A 25 -4.086 -18.733 -2.328 1.00 0.14 H new ATOM 0 HZ PHE A 25 -5.619 -18.016 -0.543 1.00 0.21 H new ATOM 400 N ILE A 26 0.332 -14.940 2.056 1.00 0.26 N ATOM 401 CA ILE A 26 -0.041 -14.509 3.432 1.00 0.25 C ATOM 402 C ILE A 26 -0.946 -13.291 3.448 1.00 0.27 C ATOM 403 O ILE A 26 -1.267 -12.729 2.421 1.00 0.35 O ATOM 404 CB ILE A 26 1.252 -14.140 4.143 1.00 0.30 C ATOM 405 CG1 ILE A 26 2.125 -13.312 3.198 1.00 0.26 C ATOM 406 CG2 ILE A 26 1.985 -15.440 4.504 1.00 0.33 C ATOM 407 CD1 ILE A 26 3.149 -12.523 4.018 1.00 0.69 C ATOM 0 H ILE A 26 1.022 -14.353 1.586 1.00 0.26 H new ATOM 0 HA ILE A 26 -0.584 -15.323 3.912 1.00 0.25 H new ATOM 0 HB ILE A 26 1.043 -13.560 5.042 1.00 0.30 H new ATOM 0 HG12 ILE A 26 2.635 -13.965 2.489 1.00 0.26 H new ATOM 0 HG13 ILE A 26 1.505 -12.630 2.615 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.917 -15.202 5.016 1.00 0.33 H new ATOM 0 HG22 ILE A 26 1.355 -16.043 5.158 1.00 0.33 H new ATOM 0 HG23 ILE A 26 2.203 -15.999 3.594 1.00 0.33 H new ATOM 0 HD11 ILE A 26 3.773 -11.931 3.348 1.00 0.69 H new ATOM 0 HD12 ILE A 26 2.629 -11.860 4.709 1.00 0.69 H new ATOM 0 HD13 ILE A 26 3.775 -13.215 4.581 1.00 0.69 H new ATOM 419 N LYS A 27 -1.349 -12.908 4.634 1.00 0.23 N ATOM 420 CA LYS A 27 -2.225 -11.735 4.745 1.00 0.29 C ATOM 421 C LYS A 27 -1.478 -10.527 4.258 1.00 0.36 C ATOM 422 O LYS A 27 -0.428 -10.198 4.770 1.00 0.50 O ATOM 423 CB LYS A 27 -2.614 -11.501 6.208 1.00 0.27 C ATOM 424 CG LYS A 27 -3.417 -10.189 6.314 1.00 0.37 C ATOM 425 CD LYS A 27 -2.603 -9.158 7.106 1.00 0.57 C ATOM 426 CE LYS A 27 -3.437 -7.883 7.299 1.00 2.10 C ATOM 427 NZ LYS A 27 -3.107 -6.878 6.249 1.00 3.34 N ATOM 0 H LYS A 27 -1.104 -13.361 5.514 1.00 0.23 H new ATOM 0 HA LYS A 27 -3.123 -11.904 4.151 1.00 0.29 H new ATOM 0 HB2 LYS A 27 -3.209 -12.337 6.577 1.00 0.27 H new ATOM 0 HB3 LYS A 27 -1.721 -11.446 6.830 1.00 0.27 H new ATOM 0 HG2 LYS A 27 -3.641 -9.805 5.319 1.00 0.37 H new ATOM 0 HG3 LYS A 27 -4.371 -10.372 6.807 1.00 0.37 H new ATOM 0 HD2 LYS A 27 -2.320 -9.570 8.075 1.00 0.57 H new ATOM 0 HD3 LYS A 27 -1.679 -8.924 6.576 1.00 0.57 H new ATOM 0 HE2 LYS A 27 -4.499 -8.126 7.257 1.00 2.10 H new ATOM 0 HE3 LYS A 27 -3.245 -7.462 8.286 1.00 2.10 H new ATOM 0 HZ1 LYS A 27 -3.881 -6.187 6.174 1.00 3.34 H new ATOM 0 HZ2 LYS A 27 -2.227 -6.386 6.504 1.00 3.34 H new ATOM 0 HZ3 LYS A 27 -2.983 -7.359 5.335 1.00 3.34 H new ATOM 441 N SER A 28 -2.060 -9.938 3.266 1.00 0.30 N ATOM 442 CA SER A 28 -1.517 -8.719 2.611 1.00 0.36 C ATOM 443 C SER A 28 -0.947 -9.077 1.248 1.00 0.24 C ATOM 444 O SER A 28 -0.672 -8.213 0.438 1.00 0.28 O ATOM 445 CB SER A 28 -0.399 -8.069 3.441 1.00 0.48 C ATOM 446 OG SER A 28 -0.201 -6.806 2.818 1.00 0.50 O ATOM 0 H SER A 28 -2.936 -10.266 2.859 1.00 0.30 H new ATOM 0 HA SER A 28 -2.341 -8.012 2.517 1.00 0.36 H new ATOM 0 HB2 SER A 28 -0.690 -7.958 4.486 1.00 0.48 H new ATOM 0 HB3 SER A 28 0.511 -8.669 3.425 1.00 0.48 H new ATOM 0 HG SER A 28 -0.313 -6.898 1.849 1.00 0.50 H new ATOM 452 N ALA A 29 -0.785 -10.351 1.017 1.00 0.17 N ATOM 453 CA ALA A 29 -0.234 -10.784 -0.288 1.00 0.20 C ATOM 454 C ALA A 29 -1.094 -10.219 -1.401 1.00 0.20 C ATOM 455 O ALA A 29 -2.286 -10.079 -1.230 1.00 0.17 O ATOM 456 CB ALA A 29 -0.284 -12.313 -0.355 1.00 0.30 C ATOM 0 H ALA A 29 -1.009 -11.101 1.671 1.00 0.17 H new ATOM 0 HA ALA A 29 0.792 -10.432 -0.397 1.00 0.20 H new ATOM 0 HB1 ALA A 29 0.119 -12.649 -1.311 1.00 0.30 H new ATOM 0 HB2 ALA A 29 0.311 -12.732 0.457 1.00 0.30 H new ATOM 0 HB3 ALA A 29 -1.317 -12.648 -0.259 1.00 0.30 H new ATOM 462 N ILE A 30 -0.490 -9.917 -2.517 1.00 0.29 N ATOM 463 CA ILE A 30 -1.273 -9.359 -3.638 1.00 0.40 C ATOM 464 C ILE A 30 -1.137 -10.244 -4.871 1.00 0.51 C ATOM 465 O ILE A 30 -0.047 -10.517 -5.331 1.00 0.89 O ATOM 466 CB ILE A 30 -0.715 -7.978 -3.953 1.00 0.39 C ATOM 467 CG1 ILE A 30 -0.073 -7.373 -2.706 1.00 0.32 C ATOM 468 CG2 ILE A 30 -1.880 -7.082 -4.384 1.00 0.45 C ATOM 469 CD1 ILE A 30 0.288 -5.912 -2.989 1.00 0.41 C ATOM 0 H ILE A 30 0.508 -10.034 -2.694 1.00 0.29 H new ATOM 0 HA ILE A 30 -2.326 -9.304 -3.363 1.00 0.40 H new ATOM 0 HB ILE A 30 0.035 -8.056 -4.740 1.00 0.39 H new ATOM 0 HG12 ILE A 30 -0.760 -7.434 -1.862 1.00 0.32 H new ATOM 0 HG13 ILE A 30 0.820 -7.935 -2.432 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -1.506 -6.085 -4.616 1.00 0.45 H new ATOM 0 HG22 ILE A 30 -2.357 -7.505 -5.268 1.00 0.45 H new ATOM 0 HG23 ILE A 30 -2.608 -7.017 -3.575 1.00 0.45 H new ATOM 0 HD11 ILE A 30 0.747 -5.473 -2.103 1.00 0.41 H new ATOM 0 HD12 ILE A 30 0.989 -5.865 -3.822 1.00 0.41 H new ATOM 0 HD13 ILE A 30 -0.615 -5.357 -3.243 1.00 0.41 H new ATOM 481 N ILE A 31 -2.258 -10.670 -5.372 1.00 0.28 N ATOM 482 CA ILE A 31 -2.265 -11.541 -6.573 1.00 0.33 C ATOM 483 C ILE A 31 -2.724 -10.717 -7.787 1.00 0.40 C ATOM 484 O ILE A 31 -3.426 -9.754 -7.614 1.00 0.43 O ATOM 485 CB ILE A 31 -3.223 -12.696 -6.237 1.00 0.31 C ATOM 486 CG1 ILE A 31 -2.637 -13.437 -5.019 1.00 0.33 C ATOM 487 CG2 ILE A 31 -3.329 -13.659 -7.432 1.00 0.30 C ATOM 488 CD1 ILE A 31 -3.656 -14.398 -4.418 1.00 0.14 C ATOM 0 H ILE A 31 -3.180 -10.449 -4.996 1.00 0.28 H new ATOM 0 HA ILE A 31 -1.283 -11.939 -6.828 1.00 0.33 H new ATOM 0 HB ILE A 31 -4.221 -12.316 -6.018 1.00 0.31 H new ATOM 0 HG12 ILE A 31 -1.746 -13.988 -5.319 1.00 0.33 H new ATOM 0 HG13 ILE A 31 -2.326 -12.714 -4.265 1.00 0.33 H new ATOM 0 HG21 ILE A 31 -4.010 -14.473 -7.184 1.00 0.30 H new ATOM 0 HG22 ILE A 31 -3.709 -13.121 -8.301 1.00 0.30 H new ATOM 0 HG23 ILE A 31 -2.344 -14.066 -7.660 1.00 0.30 H new ATOM 0 HD11 ILE A 31 -3.215 -14.907 -3.561 1.00 0.14 H new ATOM 0 HD12 ILE A 31 -4.536 -13.841 -4.096 1.00 0.14 H new ATOM 0 HD13 ILE A 31 -3.947 -15.135 -5.167 1.00 0.14 H new ATOM 500 N GLN A 32 -2.293 -11.082 -8.981 1.00 0.43 N ATOM 501 CA GLN A 32 -2.711 -10.301 -10.200 1.00 0.48 C ATOM 502 C GLN A 32 -3.644 -11.105 -11.109 1.00 0.39 C ATOM 503 O GLN A 32 -3.685 -12.316 -11.034 1.00 0.30 O ATOM 504 CB GLN A 32 -1.446 -9.956 -10.998 1.00 0.57 C ATOM 505 CG GLN A 32 -0.581 -8.996 -10.179 1.00 0.52 C ATOM 506 CD GLN A 32 0.017 -9.748 -8.988 1.00 2.53 C ATOM 507 OE1 GLN A 32 0.423 -10.977 -9.156 1.00 4.08 O flip ATOM 508 NE2 GLN A 32 0.122 -9.222 -7.898 1.00 4.30 N flip ATOM 0 H GLN A 32 -1.678 -11.876 -9.162 1.00 0.43 H new ATOM 0 HA GLN A 32 -3.246 -9.411 -9.869 1.00 0.48 H new ATOM 0 HB2 GLN A 32 -0.887 -10.863 -11.227 1.00 0.57 H new ATOM 0 HB3 GLN A 32 -1.716 -9.499 -11.950 1.00 0.57 H new ATOM 0 HG2 GLN A 32 0.214 -8.584 -10.800 1.00 0.52 H new ATOM 0 HG3 GLN A 32 -1.181 -8.155 -9.830 1.00 0.52 H new ATOM 0 HE21 GLN A 32 -0.194 -8.262 -7.763 1.00 4.30 H new ATOM 0 HE22 GLN A 32 0.526 -9.741 -7.118 1.00 4.30 H new ATOM 517 N ASN A 33 -4.379 -10.411 -11.958 1.00 0.44 N ATOM 518 CA ASN A 33 -5.306 -11.136 -12.865 1.00 0.38 C ATOM 519 C ASN A 33 -6.136 -12.052 -12.001 1.00 0.36 C ATOM 520 O ASN A 33 -5.756 -13.178 -11.743 1.00 0.38 O ATOM 521 CB ASN A 33 -4.484 -11.950 -13.868 1.00 0.36 C ATOM 522 CG ASN A 33 -3.608 -10.994 -14.678 1.00 1.33 C ATOM 523 OD1 ASN A 33 -2.408 -11.158 -14.770 1.00 2.41 O ATOM 524 ND2 ASN A 33 -4.171 -9.982 -15.281 1.00 2.47 N ATOM 0 H ASN A 33 -4.371 -9.395 -12.053 1.00 0.44 H new ATOM 0 HA ASN A 33 -5.948 -10.452 -13.420 1.00 0.38 H new ATOM 0 HB2 ASN A 33 -3.864 -12.678 -13.345 1.00 0.36 H new ATOM 0 HB3 ASN A 33 -5.144 -12.510 -14.530 1.00 0.36 H new ATOM 0 HD21 ASN A 33 -3.603 -9.333 -15.826 1.00 2.47 H new ATOM 0 HD22 ASN A 33 -5.178 -9.840 -15.207 1.00 2.47 H new ATOM 531 N VAL A 34 -7.258 -11.549 -11.576 1.00 0.39 N ATOM 532 CA VAL A 34 -8.137 -12.366 -10.708 1.00 0.39 C ATOM 533 C VAL A 34 -9.567 -12.587 -11.210 1.00 0.36 C ATOM 534 O VAL A 34 -10.084 -11.872 -12.047 1.00 0.31 O ATOM 535 CB VAL A 34 -8.199 -11.596 -9.396 1.00 0.41 C ATOM 536 CG1 VAL A 34 -9.263 -10.505 -9.504 1.00 1.40 C ATOM 537 CG2 VAL A 34 -8.557 -12.515 -8.246 1.00 0.72 C ATOM 0 H VAL A 34 -7.601 -10.613 -11.792 1.00 0.39 H new ATOM 0 HA VAL A 34 -7.718 -13.371 -10.651 1.00 0.39 H new ATOM 0 HB VAL A 34 -7.219 -11.159 -9.206 1.00 0.41 H new ATOM 0 HG11 VAL A 34 -9.312 -9.950 -8.567 1.00 1.40 H new ATOM 0 HG12 VAL A 34 -9.005 -9.825 -10.316 1.00 1.40 H new ATOM 0 HG13 VAL A 34 -10.232 -10.961 -9.707 1.00 1.40 H new ATOM 0 HG21 VAL A 34 -8.595 -11.941 -7.320 1.00 0.72 H new ATOM 0 HG22 VAL A 34 -9.531 -12.968 -8.432 1.00 0.72 H new ATOM 0 HG23 VAL A 34 -7.803 -13.297 -8.157 1.00 0.72 H new ATOM 547 N GLU A 35 -10.143 -13.615 -10.645 1.00 0.43 N ATOM 548 CA GLU A 35 -11.528 -14.036 -10.954 1.00 0.46 C ATOM 549 C GLU A 35 -12.042 -14.853 -9.768 1.00 0.96 C ATOM 550 O GLU A 35 -11.339 -15.022 -8.798 1.00 2.51 O ATOM 551 CB GLU A 35 -11.498 -14.920 -12.206 1.00 0.79 C ATOM 552 CG GLU A 35 -12.930 -15.302 -12.592 1.00 1.84 C ATOM 553 CD GLU A 35 -12.997 -15.552 -14.100 1.00 1.50 C ATOM 554 OE1 GLU A 35 -12.685 -16.668 -14.478 1.00 2.04 O ATOM 555 OE2 GLU A 35 -13.357 -14.610 -14.789 1.00 1.51 O ATOM 0 H GLU A 35 -9.681 -14.202 -9.950 1.00 0.43 H new ATOM 0 HA GLU A 35 -12.173 -13.175 -11.129 1.00 0.46 H new ATOM 0 HB2 GLU A 35 -11.017 -14.390 -13.028 1.00 0.79 H new ATOM 0 HB3 GLU A 35 -10.909 -15.817 -12.017 1.00 0.79 H new ATOM 0 HG2 GLU A 35 -13.239 -16.195 -12.049 1.00 1.84 H new ATOM 0 HG3 GLU A 35 -13.619 -14.505 -12.313 1.00 1.84 H new ATOM 562 N LYS A 36 -13.255 -15.308 -9.845 1.00 0.32 N ATOM 563 CA LYS A 36 -13.817 -16.119 -8.716 1.00 0.28 C ATOM 564 C LYS A 36 -14.621 -17.288 -9.260 1.00 0.75 C ATOM 565 O LYS A 36 -15.833 -17.341 -9.190 1.00 2.36 O ATOM 566 CB LYS A 36 -14.701 -15.212 -7.844 1.00 0.93 C ATOM 567 CG LYS A 36 -14.839 -13.844 -8.510 1.00 0.84 C ATOM 568 CD LYS A 36 -15.795 -12.991 -7.678 1.00 1.30 C ATOM 569 CE LYS A 36 -15.486 -11.510 -7.906 1.00 1.63 C ATOM 570 NZ LYS A 36 -14.908 -11.298 -9.263 1.00 2.24 N ATOM 0 H LYS A 36 -13.886 -15.160 -10.632 1.00 0.32 H new ATOM 0 HA LYS A 36 -13.005 -16.521 -8.110 1.00 0.28 H new ATOM 0 HB2 LYS A 36 -15.684 -15.664 -7.710 1.00 0.93 H new ATOM 0 HB3 LYS A 36 -14.262 -15.103 -6.852 1.00 0.93 H new ATOM 0 HG2 LYS A 36 -13.866 -13.359 -8.583 1.00 0.84 H new ATOM 0 HG3 LYS A 36 -15.217 -13.954 -9.526 1.00 0.84 H new ATOM 0 HD2 LYS A 36 -16.827 -13.205 -7.956 1.00 1.30 H new ATOM 0 HD3 LYS A 36 -15.692 -13.236 -6.621 1.00 1.30 H new ATOM 0 HE2 LYS A 36 -16.397 -10.922 -7.797 1.00 1.63 H new ATOM 0 HE3 LYS A 36 -14.787 -11.158 -7.148 1.00 1.63 H new ATOM 0 HZ1 LYS A 36 -15.047 -10.308 -9.549 1.00 2.24 H new ATOM 0 HZ2 LYS A 36 -13.891 -11.513 -9.245 1.00 2.24 H new ATOM 0 HZ3 LYS A 36 -15.382 -11.925 -9.944 1.00 2.24 H new ATOM 623 N GLY A 40 -16.401 -19.118 -5.682 1.00 1.14 N ATOM 624 CA GLY A 40 -15.882 -19.637 -4.388 1.00 0.61 C ATOM 625 C GLY A 40 -14.371 -19.892 -4.438 1.00 0.57 C ATOM 626 O GLY A 40 -13.783 -20.259 -3.440 1.00 0.86 O ATOM 0 HA2 GLY A 40 -16.103 -18.922 -3.595 1.00 0.61 H new ATOM 0 HA3 GLY A 40 -16.398 -20.563 -4.135 1.00 0.61 H new ATOM 630 N TRP A 41 -13.760 -19.695 -5.582 1.00 0.22 N ATOM 631 CA TRP A 41 -12.296 -19.933 -5.665 1.00 0.20 C ATOM 632 C TRP A 41 -11.735 -18.916 -6.619 1.00 0.23 C ATOM 633 O TRP A 41 -12.339 -18.643 -7.634 1.00 0.30 O ATOM 634 CB TRP A 41 -12.036 -21.380 -6.099 1.00 0.21 C ATOM 635 CG TRP A 41 -12.510 -22.219 -4.920 1.00 0.39 C ATOM 636 CD1 TRP A 41 -13.791 -22.574 -4.741 1.00 0.55 C ATOM 637 CD2 TRP A 41 -11.850 -22.339 -3.761 1.00 0.41 C ATOM 638 NE1 TRP A 41 -13.865 -22.870 -3.445 1.00 0.67 N ATOM 639 CE2 TRP A 41 -12.709 -22.738 -2.755 1.00 0.58 C ATOM 640 CE3 TRP A 41 -10.519 -22.109 -3.473 1.00 0.33 C ATOM 641 CZ2 TRP A 41 -12.248 -22.873 -1.461 1.00 0.64 C ATOM 642 CZ3 TRP A 41 -10.053 -22.261 -2.182 1.00 0.38 C ATOM 643 CH2 TRP A 41 -10.925 -22.638 -1.168 1.00 0.52 C ATOM 0 H TRP A 41 -14.208 -19.385 -6.445 1.00 0.22 H new ATOM 0 HA TRP A 41 -11.801 -19.813 -4.701 1.00 0.20 H new ATOM 0 HB2 TRP A 41 -12.584 -21.627 -7.008 1.00 0.21 H new ATOM 0 HB3 TRP A 41 -10.980 -21.549 -6.308 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -14.580 -22.611 -5.478 1.00 0.55 H new ATOM 0 HE1 TRP A 41 -14.732 -23.175 -3.003 1.00 0.67 H new ATOM 0 HE3 TRP A 41 -9.841 -21.810 -4.259 1.00 0.33 H new ATOM 0 HZ2 TRP A 41 -12.929 -23.164 -0.675 1.00 0.64 H new ATOM 0 HZ3 TRP A 41 -9.010 -22.087 -1.960 1.00 0.38 H new ATOM 0 HH2 TRP A 41 -10.566 -22.746 -0.155 1.00 0.52 H new ATOM 654 N TRP A 42 -10.593 -18.383 -6.295 1.00 0.34 N ATOM 655 CA TRP A 42 -9.997 -17.361 -7.178 1.00 0.30 C ATOM 656 C TRP A 42 -8.729 -17.788 -7.926 1.00 0.24 C ATOM 657 O TRP A 42 -8.019 -18.630 -7.474 1.00 0.24 O ATOM 658 CB TRP A 42 -9.557 -16.267 -6.230 1.00 0.37 C ATOM 659 CG TRP A 42 -10.754 -15.640 -5.522 1.00 0.41 C ATOM 660 CD1 TRP A 42 -11.825 -16.325 -5.087 1.00 0.35 C ATOM 661 CD2 TRP A 42 -10.956 -14.342 -5.396 1.00 0.51 C ATOM 662 NE1 TRP A 42 -12.671 -15.353 -4.762 1.00 0.42 N ATOM 663 CE2 TRP A 42 -12.214 -14.099 -4.909 1.00 0.52 C ATOM 664 CE3 TRP A 42 -10.082 -13.310 -5.606 1.00 0.62 C ATOM 665 CZ2 TRP A 42 -12.618 -12.814 -4.646 1.00 0.63 C ATOM 666 CZ3 TRP A 42 -10.485 -12.013 -5.336 1.00 0.72 C ATOM 667 CH2 TRP A 42 -11.753 -11.769 -4.860 1.00 0.73 C ATOM 0 H TRP A 42 -10.053 -18.612 -5.461 1.00 0.34 H new ATOM 0 HA TRP A 42 -10.735 -17.105 -7.939 1.00 0.30 H new ATOM 0 HB2 TRP A 42 -8.868 -16.677 -5.492 1.00 0.37 H new ATOM 0 HB3 TRP A 42 -9.014 -15.500 -6.782 1.00 0.37 H new ATOM 0 HD1 TRP A 42 -11.963 -17.394 -5.019 1.00 0.35 H new ATOM 0 HE1 TRP A 42 -13.612 -15.548 -4.421 1.00 0.42 H new ATOM 0 HE3 TRP A 42 -9.087 -13.505 -5.979 1.00 0.62 H new ATOM 0 HZ2 TRP A 42 -13.613 -12.625 -4.272 1.00 0.63 H new ATOM 0 HZ3 TRP A 42 -9.803 -11.192 -5.499 1.00 0.72 H new ATOM 0 HH2 TRP A 42 -12.068 -10.756 -4.655 1.00 0.73 H new ATOM 678 N ARG A 43 -8.443 -17.124 -9.026 1.00 0.24 N ATOM 679 CA ARG A 43 -7.212 -17.473 -9.820 1.00 0.26 C ATOM 680 C ARG A 43 -6.275 -16.273 -9.920 1.00 0.30 C ATOM 681 O ARG A 43 -6.664 -15.175 -9.594 1.00 0.31 O ATOM 682 CB ARG A 43 -7.590 -17.707 -11.278 1.00 0.15 C ATOM 683 CG ARG A 43 -7.970 -19.153 -11.557 1.00 0.93 C ATOM 684 CD ARG A 43 -7.874 -19.391 -13.072 1.00 0.58 C ATOM 685 NE ARG A 43 -8.939 -18.598 -13.749 1.00 3.08 N ATOM 686 CZ ARG A 43 -9.887 -19.214 -14.397 1.00 3.42 C ATOM 687 NH1 ARG A 43 -10.378 -20.315 -13.899 1.00 4.33 N ATOM 688 NH2 ARG A 43 -10.313 -18.708 -15.523 1.00 3.18 N ATOM 0 H ARG A 43 -9.003 -16.361 -9.407 1.00 0.24 H new ATOM 0 HA ARG A 43 -6.762 -18.335 -9.327 1.00 0.26 H new ATOM 0 HB2 ARG A 43 -8.425 -17.058 -11.542 1.00 0.15 H new ATOM 0 HB3 ARG A 43 -6.753 -17.425 -11.917 1.00 0.15 H new ATOM 0 HG2 ARG A 43 -7.304 -19.831 -11.023 1.00 0.93 H new ATOM 0 HG3 ARG A 43 -8.981 -19.355 -11.204 1.00 0.93 H new ATOM 0 HD2 ARG A 43 -6.891 -19.095 -13.439 1.00 0.58 H new ATOM 0 HD3 ARG A 43 -7.992 -20.451 -13.296 1.00 0.58 H new ATOM 0 HE ARG A 43 -8.926 -17.579 -13.705 1.00 3.08 H new ATOM 0 HH11 ARG A 43 -10.020 -20.680 -13.017 1.00 4.33 H new ATOM 0 HH12 ARG A 43 -11.120 -20.811 -14.392 1.00 4.33 H new ATOM 0 HH21 ARG A 43 -9.904 -17.845 -15.881 1.00 3.18 H new ATOM 0 HH22 ARG A 43 -11.054 -19.176 -16.044 1.00 3.18 H new ATOM 702 N GLY A 44 -5.066 -16.484 -10.416 1.00 0.36 N ATOM 703 CA GLY A 44 -4.120 -15.342 -10.539 1.00 0.40 C ATOM 704 C GLY A 44 -2.705 -15.672 -10.038 1.00 0.35 C ATOM 705 O GLY A 44 -2.497 -16.474 -9.151 1.00 0.37 O ATOM 0 H GLY A 44 -4.710 -17.386 -10.732 1.00 0.36 H new ATOM 0 HA2 GLY A 44 -4.066 -15.034 -11.583 1.00 0.40 H new ATOM 0 HA3 GLY A 44 -4.509 -14.494 -9.976 1.00 0.40 H new ATOM 709 N ASP A 45 -1.771 -15.050 -10.677 1.00 0.30 N ATOM 710 CA ASP A 45 -0.330 -15.243 -10.328 1.00 0.21 C ATOM 711 C ASP A 45 -0.017 -14.834 -8.884 1.00 0.30 C ATOM 712 O ASP A 45 -0.837 -14.291 -8.189 1.00 0.69 O ATOM 713 CB ASP A 45 0.495 -14.314 -11.235 1.00 0.13 C ATOM 714 CG ASP A 45 -0.354 -13.867 -12.431 1.00 2.40 C ATOM 715 OD1 ASP A 45 -1.224 -13.044 -12.197 1.00 2.41 O ATOM 716 OD2 ASP A 45 -0.084 -14.365 -13.510 1.00 4.20 O ATOM 0 H ASP A 45 -1.938 -14.400 -11.445 1.00 0.30 H new ATOM 0 HA ASP A 45 -0.094 -16.300 -10.454 1.00 0.21 H new ATOM 0 HB2 ASP A 45 0.831 -13.444 -10.671 1.00 0.13 H new ATOM 0 HB3 ASP A 45 1.388 -14.832 -11.585 1.00 0.13 H new ATOM 721 N TYR A 46 1.193 -15.100 -8.482 1.00 0.13 N ATOM 722 CA TYR A 46 1.642 -14.752 -7.101 1.00 0.09 C ATOM 723 C TYR A 46 3.107 -15.143 -6.973 1.00 0.30 C ATOM 724 O TYR A 46 3.605 -15.413 -5.897 1.00 0.64 O ATOM 725 CB TYR A 46 0.802 -15.512 -6.040 1.00 0.34 C ATOM 726 CG TYR A 46 1.078 -14.891 -4.660 1.00 0.33 C ATOM 727 CD1 TYR A 46 1.015 -13.518 -4.491 1.00 0.32 C ATOM 728 CD2 TYR A 46 1.572 -15.662 -3.614 1.00 0.35 C ATOM 729 CE1 TYR A 46 1.459 -12.932 -3.346 1.00 0.34 C ATOM 730 CE2 TYR A 46 2.021 -15.057 -2.463 1.00 0.36 C ATOM 731 CZ TYR A 46 1.965 -13.689 -2.315 1.00 0.36 C ATOM 732 OH TYR A 46 2.423 -13.090 -1.158 1.00 0.39 O ATOM 0 H TYR A 46 1.903 -15.551 -9.059 1.00 0.13 H new ATOM 0 HA TYR A 46 1.510 -13.684 -6.930 1.00 0.09 H new ATOM 0 HB2 TYR A 46 -0.259 -15.446 -6.279 1.00 0.34 H new ATOM 0 HB3 TYR A 46 1.063 -16.570 -6.038 1.00 0.34 H new ATOM 0 HD1 TYR A 46 0.607 -12.903 -5.280 1.00 0.32 H new ATOM 0 HD2 TYR A 46 1.603 -16.738 -3.705 1.00 0.35 H new ATOM 0 HE1 TYR A 46 1.413 -11.858 -3.245 1.00 0.34 H new ATOM 0 HE2 TYR A 46 2.423 -15.663 -1.665 1.00 0.36 H new ATOM 0 HH TYR A 46 2.744 -13.778 -0.538 1.00 0.39 H new ATOM 778 N LYS A 50 1.362 -18.402 -12.562 1.00 0.79 N ATOM 779 CA LYS A 50 0.505 -17.405 -13.274 1.00 0.82 C ATOM 780 C LYS A 50 -0.959 -17.454 -12.840 1.00 1.09 C ATOM 781 O LYS A 50 -1.651 -16.460 -12.906 1.00 3.01 O ATOM 782 CB LYS A 50 0.552 -17.708 -14.777 1.00 0.85 C ATOM 783 CG LYS A 50 0.013 -16.486 -15.537 1.00 1.01 C ATOM 784 CD LYS A 50 -0.232 -16.851 -17.008 1.00 0.97 C ATOM 785 CE LYS A 50 -1.194 -15.833 -17.628 1.00 1.87 C ATOM 786 NZ LYS A 50 -0.600 -14.466 -17.615 1.00 2.54 N ATOM 0 HA LYS A 50 0.896 -16.417 -13.032 1.00 0.82 H new ATOM 0 HB2 LYS A 50 1.574 -17.927 -15.088 1.00 0.85 H new ATOM 0 HB3 LYS A 50 -0.046 -18.590 -15.005 1.00 0.85 H new ATOM 0 HG2 LYS A 50 -0.915 -16.142 -15.079 1.00 1.01 H new ATOM 0 HG3 LYS A 50 0.725 -15.663 -15.471 1.00 1.01 H new ATOM 0 HD2 LYS A 50 0.711 -16.858 -17.555 1.00 0.97 H new ATOM 0 HD3 LYS A 50 -0.650 -17.855 -17.081 1.00 0.97 H new ATOM 0 HE2 LYS A 50 -1.427 -16.123 -18.653 1.00 1.87 H new ATOM 0 HE3 LYS A 50 -2.134 -15.831 -17.076 1.00 1.87 H new ATOM 0 HZ1 LYS A 50 -1.169 -13.834 -18.214 1.00 2.54 H new ATOM 0 HZ2 LYS A 50 -0.588 -14.102 -16.641 1.00 2.54 H new ATOM 0 HZ3 LYS A 50 0.373 -14.507 -17.981 1.00 2.54 H new ATOM 800 N GLN A 51 -1.410 -18.584 -12.389 1.00 0.76 N ATOM 801 CA GLN A 51 -2.825 -18.661 -11.968 1.00 0.43 C ATOM 802 C GLN A 51 -3.074 -19.924 -11.152 1.00 0.32 C ATOM 803 O GLN A 51 -3.236 -21.010 -11.659 1.00 0.54 O ATOM 804 CB GLN A 51 -3.700 -18.592 -13.244 1.00 0.44 C ATOM 805 CG GLN A 51 -3.726 -19.932 -13.983 1.00 3.01 C ATOM 806 CD GLN A 51 -4.905 -20.754 -13.463 1.00 4.71 C ATOM 807 OE1 GLN A 51 -5.430 -20.421 -12.315 1.00 5.54 O flip ATOM 808 NE2 GLN A 51 -5.351 -21.696 -14.085 1.00 5.42 N flip ATOM 0 H GLN A 51 -0.869 -19.444 -12.295 1.00 0.76 H new ATOM 0 HA GLN A 51 -3.085 -17.828 -11.315 1.00 0.43 H new ATOM 0 HB2 GLN A 51 -4.716 -18.305 -12.974 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -3.316 -17.817 -13.908 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -3.822 -19.770 -15.057 1.00 3.01 H new ATOM 0 HG3 GLN A 51 -2.791 -20.469 -13.824 1.00 3.01 H new ATOM 0 HE21 GLN A 51 -4.940 -21.955 -14.982 1.00 5.42 H new ATOM 0 HE22 GLN A 51 -6.137 -22.228 -13.711 1.00 5.42 H new ATOM 817 N LEU A 52 -2.972 -19.755 -9.872 1.00 0.13 N ATOM 818 CA LEU A 52 -3.195 -20.896 -8.953 1.00 0.27 C ATOM 819 C LEU A 52 -4.580 -20.725 -8.341 1.00 0.23 C ATOM 820 O LEU A 52 -5.507 -20.405 -9.061 1.00 0.36 O ATOM 821 CB LEU A 52 -2.104 -20.885 -7.858 1.00 0.40 C ATOM 822 CG LEU A 52 -0.685 -21.188 -8.437 1.00 0.37 C ATOM 823 CD1 LEU A 52 0.122 -21.975 -7.399 1.00 0.45 C ATOM 824 CD2 LEU A 52 -0.706 -22.025 -9.721 1.00 0.38 C ATOM 0 H LEU A 52 -2.742 -18.871 -9.418 1.00 0.13 H new ATOM 0 HA LEU A 52 -3.139 -21.849 -9.478 1.00 0.27 H new ATOM 0 HB2 LEU A 52 -2.094 -19.912 -7.367 1.00 0.40 H new ATOM 0 HB3 LEU A 52 -2.349 -21.624 -7.096 1.00 0.40 H new ATOM 0 HG LEU A 52 -0.243 -20.220 -8.672 1.00 0.37 H new ATOM 0 HD11 LEU A 52 1.114 -22.190 -7.796 1.00 0.45 H new ATOM 0 HD12 LEU A 52 0.216 -21.385 -6.488 1.00 0.45 H new ATOM 0 HD13 LEU A 52 -0.389 -22.911 -7.174 1.00 0.45 H new ATOM 0 HD21 LEU A 52 0.315 -22.194 -10.062 1.00 0.38 H new ATOM 0 HD22 LEU A 52 -1.185 -22.984 -9.523 1.00 0.38 H new ATOM 0 HD23 LEU A 52 -1.263 -21.494 -10.493 1.00 0.38 H new ATOM 836 N TRP A 53 -4.729 -20.933 -7.056 1.00 0.24 N ATOM 837 CA TRP A 53 -6.096 -20.760 -6.480 1.00 0.21 C ATOM 838 C TRP A 53 -6.124 -20.138 -5.094 1.00 0.15 C ATOM 839 O TRP A 53 -5.248 -20.368 -4.284 1.00 0.15 O ATOM 840 CB TRP A 53 -6.736 -22.136 -6.329 1.00 0.28 C ATOM 841 CG TRP A 53 -7.218 -22.606 -7.683 1.00 0.37 C ATOM 842 CD1 TRP A 53 -6.623 -23.567 -8.370 1.00 0.51 C ATOM 843 CD2 TRP A 53 -8.232 -22.098 -8.372 1.00 0.40 C ATOM 844 NE1 TRP A 53 -7.318 -23.624 -9.505 1.00 0.63 N ATOM 845 CE2 TRP A 53 -8.341 -22.737 -9.592 1.00 0.57 C ATOM 846 CE3 TRP A 53 -9.088 -21.065 -8.052 1.00 0.32 C ATOM 847 CZ2 TRP A 53 -9.305 -22.338 -10.488 1.00 0.67 C ATOM 848 CZ3 TRP A 53 -10.046 -20.665 -8.961 1.00 0.40 C ATOM 849 CH2 TRP A 53 -10.145 -21.309 -10.177 1.00 0.58 C ATOM 0 H TRP A 53 -3.994 -21.205 -6.403 1.00 0.24 H new ATOM 0 HA TRP A 53 -6.619 -20.093 -7.165 1.00 0.21 H new ATOM 0 HB2 TRP A 53 -6.015 -22.844 -5.920 1.00 0.28 H new ATOM 0 HB3 TRP A 53 -7.570 -22.089 -5.628 1.00 0.28 H new ATOM 0 HD1 TRP A 53 -5.773 -24.166 -8.079 1.00 0.51 H new ATOM 0 HE1 TRP A 53 -7.098 -24.284 -10.251 1.00 0.63 H new ATOM 0 HE3 TRP A 53 -9.009 -20.572 -7.095 1.00 0.32 H new ATOM 0 HZ2 TRP A 53 -9.397 -22.840 -11.440 1.00 0.67 H new ATOM 0 HZ3 TRP A 53 -10.715 -19.852 -8.722 1.00 0.40 H new ATOM 0 HH2 TRP A 53 -10.894 -20.996 -10.889 1.00 0.58 H new ATOM 860 N PHE A 54 -7.117 -19.312 -4.869 1.00 0.12 N ATOM 861 CA PHE A 54 -7.239 -18.666 -3.533 1.00 0.10 C ATOM 862 C PHE A 54 -8.730 -18.670 -3.116 1.00 0.17 C ATOM 863 O PHE A 54 -9.567 -18.171 -3.839 1.00 0.20 O ATOM 864 CB PHE A 54 -6.745 -17.197 -3.534 1.00 0.08 C ATOM 865 CG PHE A 54 -6.059 -16.830 -4.823 1.00 0.06 C ATOM 866 CD1 PHE A 54 -4.967 -17.536 -5.256 1.00 0.13 C ATOM 867 CD2 PHE A 54 -6.574 -15.825 -5.608 1.00 0.17 C ATOM 868 CE1 PHE A 54 -4.408 -17.258 -6.470 1.00 0.23 C ATOM 869 CE2 PHE A 54 -6.028 -15.548 -6.805 1.00 0.28 C ATOM 870 CZ PHE A 54 -4.938 -16.264 -7.250 1.00 0.30 C ATOM 0 H PHE A 54 -7.838 -19.062 -5.546 1.00 0.12 H new ATOM 0 HA PHE A 54 -6.618 -19.231 -2.838 1.00 0.10 H new ATOM 0 HB2 PHE A 54 -7.592 -16.530 -3.372 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -6.057 -17.046 -2.702 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.548 -18.314 -4.635 1.00 0.13 H new ATOM 0 HD2 PHE A 54 -7.423 -15.254 -5.261 1.00 0.17 H new ATOM 0 HE1 PHE A 54 -3.552 -17.819 -6.814 1.00 0.23 H new ATOM 0 HE2 PHE A 54 -6.444 -14.763 -7.419 1.00 0.28 H new ATOM 0 HZ PHE A 54 -4.502 -16.042 -8.213 1.00 0.30 H new ATOM 880 N PRO A 55 -9.053 -19.234 -1.971 1.00 0.23 N ATOM 881 CA PRO A 55 -10.452 -19.281 -1.500 1.00 0.33 C ATOM 882 C PRO A 55 -11.138 -17.930 -1.471 1.00 0.39 C ATOM 883 O PRO A 55 -10.538 -16.924 -1.160 1.00 0.57 O ATOM 884 CB PRO A 55 -10.345 -19.741 -0.059 1.00 0.40 C ATOM 885 CG PRO A 55 -8.907 -20.295 0.150 1.00 0.32 C ATOM 886 CD PRO A 55 -8.079 -19.825 -1.030 1.00 0.22 C ATOM 0 HA PRO A 55 -11.032 -19.918 -2.168 1.00 0.33 H new ATOM 0 HB2 PRO A 55 -10.540 -18.913 0.623 1.00 0.40 H new ATOM 0 HB3 PRO A 55 -11.087 -20.511 0.154 1.00 0.40 H new ATOM 0 HG2 PRO A 55 -8.485 -19.931 1.087 1.00 0.32 H new ATOM 0 HG3 PRO A 55 -8.917 -21.384 0.206 1.00 0.32 H new ATOM 0 HD2 PRO A 55 -7.334 -19.092 -0.722 1.00 0.22 H new ATOM 0 HD3 PRO A 55 -7.540 -20.654 -1.489 1.00 0.22 H new ATOM 894 N SER A 56 -12.399 -17.947 -1.789 1.00 0.36 N ATOM 895 CA SER A 56 -13.174 -16.694 -1.782 1.00 0.38 C ATOM 896 C SER A 56 -13.617 -16.560 -0.344 1.00 0.51 C ATOM 897 O SER A 56 -14.378 -15.694 0.035 1.00 0.54 O ATOM 898 CB SER A 56 -14.405 -16.852 -2.686 1.00 0.37 C ATOM 899 OG SER A 56 -15.368 -17.483 -1.852 1.00 0.15 O ATOM 0 H SER A 56 -12.923 -18.781 -2.054 1.00 0.36 H new ATOM 0 HA SER A 56 -12.608 -15.834 -2.139 1.00 0.38 H new ATOM 0 HB2 SER A 56 -14.761 -15.887 -3.047 1.00 0.37 H new ATOM 0 HB3 SER A 56 -14.180 -17.457 -3.564 1.00 0.37 H new ATOM 0 HG SER A 56 -16.268 -17.209 -2.126 1.00 0.15 H new ATOM 905 N ASN A 57 -13.072 -17.474 0.422 1.00 0.58 N ATOM 906 CA ASN A 57 -13.340 -17.557 1.848 1.00 0.72 C ATOM 907 C ASN A 57 -12.115 -17.009 2.540 1.00 0.70 C ATOM 908 O ASN A 57 -12.111 -16.776 3.733 1.00 0.77 O ATOM 909 CB ASN A 57 -13.500 -19.054 2.198 1.00 0.75 C ATOM 910 CG ASN A 57 -14.989 -19.415 2.215 1.00 1.10 C ATOM 911 OD1 ASN A 57 -15.729 -19.010 3.089 1.00 1.36 O ATOM 912 ND2 ASN A 57 -15.467 -20.173 1.265 1.00 3.06 N ATOM 0 H ASN A 57 -12.427 -18.186 0.078 1.00 0.58 H new ATOM 0 HA ASN A 57 -14.233 -17.008 2.145 1.00 0.72 H new ATOM 0 HB2 ASN A 57 -12.974 -19.668 1.467 1.00 0.75 H new ATOM 0 HB3 ASN A 57 -13.053 -19.262 3.170 1.00 0.75 H new ATOM 0 HD21 ASN A 57 -16.456 -20.422 1.260 1.00 3.06 H new ATOM 0 HD22 ASN A 57 -14.851 -20.516 0.528 1.00 3.06 H new ATOM 919 N TYR A 58 -11.083 -16.822 1.738 1.00 0.63 N ATOM 920 CA TYR A 58 -9.815 -16.284 2.290 1.00 0.63 C ATOM 921 C TYR A 58 -9.460 -14.912 1.706 1.00 0.72 C ATOM 922 O TYR A 58 -9.045 -14.026 2.428 1.00 1.36 O ATOM 923 CB TYR A 58 -8.644 -17.234 1.962 1.00 0.42 C ATOM 924 CG TYR A 58 -8.507 -18.334 3.040 1.00 0.41 C ATOM 925 CD1 TYR A 58 -9.481 -19.328 3.219 1.00 0.48 C ATOM 926 CD2 TYR A 58 -7.415 -18.314 3.895 1.00 0.38 C ATOM 927 CE1 TYR A 58 -9.354 -20.246 4.242 1.00 0.56 C ATOM 928 CE2 TYR A 58 -7.306 -19.244 4.912 1.00 0.44 C ATOM 929 CZ TYR A 58 -8.269 -20.212 5.091 1.00 0.54 C ATOM 930 OH TYR A 58 -8.152 -21.134 6.113 1.00 0.64 O ATOM 0 H TYR A 58 -11.076 -17.020 0.737 1.00 0.63 H new ATOM 0 HA TYR A 58 -9.966 -16.191 3.365 1.00 0.63 H new ATOM 0 HB2 TYR A 58 -8.805 -17.693 0.987 1.00 0.42 H new ATOM 0 HB3 TYR A 58 -7.716 -16.665 1.897 1.00 0.42 H new ATOM 0 HD1 TYR A 58 -10.332 -19.375 2.555 1.00 0.48 H new ATOM 0 HD2 TYR A 58 -6.645 -17.567 3.765 1.00 0.38 H new ATOM 0 HE1 TYR A 58 -10.115 -21.000 4.379 1.00 0.56 H new ATOM 0 HE2 TYR A 58 -6.454 -19.211 5.575 1.00 0.44 H new ATOM 0 HH TYR A 58 -7.326 -20.965 6.613 1.00 0.64 H new ATOM 940 N VAL A 59 -9.631 -14.759 0.415 1.00 0.70 N ATOM 941 CA VAL A 59 -9.300 -13.451 -0.220 1.00 0.63 C ATOM 942 C VAL A 59 -10.519 -12.596 -0.555 1.00 0.79 C ATOM 943 O VAL A 59 -11.637 -13.068 -0.582 1.00 1.20 O ATOM 944 CB VAL A 59 -8.570 -13.748 -1.530 1.00 0.70 C ATOM 945 CG1 VAL A 59 -7.571 -14.873 -1.288 1.00 0.77 C ATOM 946 CG2 VAL A 59 -9.578 -14.168 -2.623 1.00 0.77 C ATOM 0 H VAL A 59 -9.982 -15.477 -0.219 1.00 0.70 H new ATOM 0 HA VAL A 59 -8.702 -12.888 0.496 1.00 0.63 H new ATOM 0 HB VAL A 59 -8.049 -12.852 -1.868 1.00 0.70 H new ATOM 0 HG11 VAL A 59 -7.042 -15.096 -2.215 1.00 0.77 H new ATOM 0 HG12 VAL A 59 -6.854 -14.566 -0.526 1.00 0.77 H new ATOM 0 HG13 VAL A 59 -8.101 -15.763 -0.949 1.00 0.77 H new ATOM 0 HG21 VAL A 59 -9.044 -14.376 -3.550 1.00 0.77 H new ATOM 0 HG22 VAL A 59 -10.111 -15.063 -2.302 1.00 0.77 H new ATOM 0 HG23 VAL A 59 -10.292 -13.361 -2.789 1.00 0.77 H new ATOM 956 N GLU A 60 -10.240 -11.346 -0.829 1.00 0.72 N ATOM 957 CA GLU A 60 -11.311 -10.374 -1.181 1.00 0.80 C ATOM 958 C GLU A 60 -10.713 -9.230 -1.984 1.00 0.76 C ATOM 959 O GLU A 60 -9.793 -8.579 -1.528 1.00 0.79 O ATOM 960 CB GLU A 60 -11.887 -9.755 0.097 1.00 0.89 C ATOM 961 CG GLU A 60 -13.142 -10.521 0.525 1.00 1.42 C ATOM 962 CD GLU A 60 -13.622 -9.993 1.882 1.00 1.35 C ATOM 963 OE1 GLU A 60 -14.066 -8.858 1.897 1.00 1.81 O ATOM 964 OE2 GLU A 60 -13.518 -10.759 2.826 1.00 1.38 O ATOM 0 H GLU A 60 -9.298 -10.955 -0.822 1.00 0.72 H new ATOM 0 HA GLU A 60 -12.080 -10.899 -1.747 1.00 0.80 H new ATOM 0 HB2 GLU A 60 -11.143 -9.784 0.893 1.00 0.89 H new ATOM 0 HB3 GLU A 60 -12.131 -8.706 -0.074 1.00 0.89 H new ATOM 0 HG2 GLU A 60 -13.927 -10.402 -0.222 1.00 1.42 H new ATOM 0 HG3 GLU A 60 -12.925 -11.587 0.593 1.00 1.42 H new