USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=9 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= -1.94! USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= -0.0805 (180deg=-0.392) USER MOD Single : A 18 GLN : amide:sc= -0.98 K(o=-0.98,f=-0.075) USER MOD Single : A 24 THR OG1 : rot -68:sc= 0.44 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -5:sc= 0.936 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 33 ASN : amide:sc= -0.0065 X(o=-0.0065,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.234) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -120:sc= -0.0843 (180deg=-0.657) USER MOD Single : A 51 GLN : amide:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 56 SER OG : rot 43:sc= 0.534! USER MOD Single : A 57 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.19) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ALA A 8 -6.796 -7.095 -9.047 1.00 0.33 N ATOM 103 CA ALA A 8 -5.856 -7.516 -7.978 1.00 0.16 C ATOM 104 C ALA A 8 -6.586 -7.580 -6.639 1.00 0.17 C ATOM 105 O ALA A 8 -7.740 -7.212 -6.548 1.00 0.30 O ATOM 106 CB ALA A 8 -4.735 -6.471 -7.894 1.00 0.27 C ATOM 0 HA ALA A 8 -5.449 -8.501 -8.204 1.00 0.16 H new ATOM 0 HB1 ALA A 8 -4.029 -6.757 -7.114 1.00 0.27 H new ATOM 0 HB2 ALA A 8 -4.216 -6.416 -8.851 1.00 0.27 H new ATOM 0 HB3 ALA A 8 -5.163 -5.497 -7.657 1.00 0.27 H new ATOM 112 N VAL A 9 -5.912 -8.044 -5.628 1.00 0.13 N ATOM 113 CA VAL A 9 -6.569 -8.131 -4.303 1.00 0.12 C ATOM 114 C VAL A 9 -5.555 -7.938 -3.194 1.00 0.13 C ATOM 115 O VAL A 9 -4.429 -7.565 -3.426 1.00 0.17 O ATOM 116 CB VAL A 9 -7.165 -9.547 -4.148 1.00 0.17 C ATOM 117 CG1 VAL A 9 -7.647 -10.054 -5.502 1.00 0.18 C ATOM 118 CG2 VAL A 9 -6.103 -10.526 -3.625 1.00 0.26 C ATOM 0 H VAL A 9 -4.944 -8.364 -5.662 1.00 0.13 H new ATOM 0 HA VAL A 9 -7.336 -7.359 -4.238 1.00 0.12 H new ATOM 0 HB VAL A 9 -7.994 -9.489 -3.442 1.00 0.17 H new ATOM 0 HG11 VAL A 9 -8.067 -11.053 -5.388 1.00 0.18 H new ATOM 0 HG12 VAL A 9 -8.412 -9.382 -5.891 1.00 0.18 H new ATOM 0 HG13 VAL A 9 -6.808 -10.090 -6.197 1.00 0.18 H new ATOM 0 HG21 VAL A 9 -6.542 -11.518 -3.522 1.00 0.26 H new ATOM 0 HG22 VAL A 9 -5.270 -10.568 -4.327 1.00 0.26 H new ATOM 0 HG23 VAL A 9 -5.742 -10.187 -2.654 1.00 0.26 H new ATOM 128 N LYS A 10 -5.998 -8.189 -2.009 1.00 0.11 N ATOM 129 CA LYS A 10 -5.115 -8.049 -0.836 1.00 0.13 C ATOM 130 C LYS A 10 -5.453 -9.182 0.142 1.00 0.10 C ATOM 131 O LYS A 10 -6.238 -8.993 1.049 1.00 0.10 O ATOM 132 CB LYS A 10 -5.389 -6.696 -0.164 1.00 0.19 C ATOM 133 CG LYS A 10 -4.243 -6.380 0.800 1.00 0.30 C ATOM 134 CD LYS A 10 -4.806 -5.686 2.041 1.00 0.88 C ATOM 135 CE LYS A 10 -3.673 -4.964 2.774 1.00 1.56 C ATOM 136 NZ LYS A 10 -4.069 -4.670 4.180 1.00 2.45 N ATOM 0 H LYS A 10 -6.950 -8.490 -1.799 1.00 0.11 H new ATOM 0 HA LYS A 10 -4.067 -8.099 -1.130 1.00 0.13 H new ATOM 0 HB2 LYS A 10 -5.476 -5.912 -0.916 1.00 0.19 H new ATOM 0 HB3 LYS A 10 -6.336 -6.727 0.374 1.00 0.19 H new ATOM 0 HG2 LYS A 10 -3.728 -7.297 1.084 1.00 0.30 H new ATOM 0 HG3 LYS A 10 -3.508 -5.739 0.312 1.00 0.30 H new ATOM 0 HD2 LYS A 10 -5.581 -4.975 1.754 1.00 0.88 H new ATOM 0 HD3 LYS A 10 -5.273 -6.417 2.700 1.00 0.88 H new ATOM 0 HE2 LYS A 10 -2.774 -5.580 2.764 1.00 1.56 H new ATOM 0 HE3 LYS A 10 -3.429 -4.036 2.256 1.00 1.56 H new ATOM 0 HZ1 LYS A 10 -3.290 -4.180 4.665 1.00 2.45 H new ATOM 0 HZ2 LYS A 10 -4.914 -4.064 4.183 1.00 2.45 H new ATOM 0 HZ3 LYS A 10 -4.279 -5.560 4.675 1.00 2.45 H new ATOM 150 N ALA A 11 -4.871 -10.345 -0.078 1.00 0.17 N ATOM 151 CA ALA A 11 -5.154 -11.503 0.828 1.00 0.21 C ATOM 152 C ALA A 11 -5.334 -11.068 2.268 1.00 0.19 C ATOM 153 O ALA A 11 -4.393 -10.705 2.946 1.00 0.23 O ATOM 154 CB ALA A 11 -3.994 -12.488 0.751 1.00 0.25 C ATOM 0 H ALA A 11 -4.219 -10.537 -0.839 1.00 0.17 H new ATOM 0 HA ALA A 11 -6.084 -11.966 0.498 1.00 0.21 H new ATOM 0 HB1 ALA A 11 -4.192 -13.335 1.408 1.00 0.25 H new ATOM 0 HB2 ALA A 11 -3.885 -12.842 -0.274 1.00 0.25 H new ATOM 0 HB3 ALA A 11 -3.075 -11.993 1.064 1.00 0.25 H new ATOM 160 N LEU A 12 -6.558 -11.117 2.700 1.00 0.24 N ATOM 161 CA LEU A 12 -6.862 -10.717 4.086 1.00 0.22 C ATOM 162 C LEU A 12 -6.339 -11.754 5.071 1.00 0.26 C ATOM 163 O LEU A 12 -5.902 -11.403 6.141 1.00 0.32 O ATOM 164 CB LEU A 12 -8.388 -10.607 4.226 1.00 0.26 C ATOM 165 CG LEU A 12 -8.946 -9.705 3.107 1.00 0.22 C ATOM 166 CD1 LEU A 12 -10.475 -9.746 3.149 1.00 0.32 C ATOM 167 CD2 LEU A 12 -8.485 -8.257 3.321 1.00 0.14 C ATOM 0 H LEU A 12 -7.361 -11.419 2.147 1.00 0.24 H new ATOM 0 HA LEU A 12 -6.382 -9.763 4.305 1.00 0.22 H new ATOM 0 HB2 LEU A 12 -8.841 -11.597 4.169 1.00 0.26 H new ATOM 0 HB3 LEU A 12 -8.645 -10.195 5.202 1.00 0.26 H new ATOM 0 HG LEU A 12 -8.582 -10.063 2.144 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -10.878 -9.110 2.360 1.00 0.32 H new ATOM 0 HD12 LEU A 12 -10.816 -10.770 2.999 1.00 0.32 H new ATOM 0 HD13 LEU A 12 -10.822 -9.386 4.118 1.00 0.32 H new ATOM 0 HD21 LEU A 12 -8.884 -7.627 2.526 1.00 0.14 H new ATOM 0 HD22 LEU A 12 -8.847 -7.898 4.284 1.00 0.14 H new ATOM 0 HD23 LEU A 12 -7.396 -8.216 3.305 1.00 0.14 H new ATOM 179 N PHE A 13 -6.376 -13.003 4.673 1.00 0.27 N ATOM 180 CA PHE A 13 -5.881 -14.088 5.579 1.00 0.31 C ATOM 181 C PHE A 13 -4.796 -14.918 4.885 1.00 0.53 C ATOM 182 O PHE A 13 -4.872 -15.187 3.703 1.00 1.42 O ATOM 183 CB PHE A 13 -7.061 -15.008 5.970 1.00 0.18 C ATOM 184 CG PHE A 13 -8.282 -14.175 6.411 1.00 0.30 C ATOM 185 CD1 PHE A 13 -8.134 -13.019 7.164 1.00 0.42 C ATOM 186 CD2 PHE A 13 -9.557 -14.561 6.032 1.00 0.56 C ATOM 187 CE1 PHE A 13 -9.231 -12.265 7.515 1.00 0.69 C ATOM 188 CE2 PHE A 13 -10.656 -13.803 6.388 1.00 0.79 C ATOM 189 CZ PHE A 13 -10.493 -12.656 7.130 1.00 0.84 C ATOM 0 H PHE A 13 -6.725 -13.317 3.767 1.00 0.27 H new ATOM 0 HA PHE A 13 -5.454 -13.631 6.472 1.00 0.31 H new ATOM 0 HB2 PHE A 13 -7.332 -15.639 5.124 1.00 0.18 H new ATOM 0 HB3 PHE A 13 -6.757 -15.673 6.779 1.00 0.18 H new ATOM 0 HD1 PHE A 13 -7.149 -12.708 7.478 1.00 0.42 H new ATOM 0 HD2 PHE A 13 -9.693 -15.462 5.453 1.00 0.56 H new ATOM 0 HE1 PHE A 13 -9.101 -11.363 8.095 1.00 0.69 H new ATOM 0 HE2 PHE A 13 -11.645 -14.112 6.083 1.00 0.79 H new ATOM 0 HZ PHE A 13 -11.352 -12.065 7.409 1.00 0.84 H new ATOM 199 N ASP A 14 -3.806 -15.303 5.646 1.00 0.69 N ATOM 200 CA ASP A 14 -2.686 -16.114 5.082 1.00 0.65 C ATOM 201 C ASP A 14 -3.131 -17.482 4.554 1.00 0.59 C ATOM 202 O ASP A 14 -4.259 -17.886 4.722 1.00 0.95 O ATOM 203 CB ASP A 14 -1.673 -16.345 6.205 1.00 0.71 C ATOM 204 CG ASP A 14 -2.421 -16.635 7.510 1.00 0.66 C ATOM 205 OD1 ASP A 14 -3.211 -17.566 7.485 1.00 2.31 O ATOM 206 OD2 ASP A 14 -2.164 -15.909 8.455 1.00 1.94 O ATOM 0 H ASP A 14 -3.724 -15.089 6.640 1.00 0.69 H new ATOM 0 HA ASP A 14 -2.270 -15.563 4.238 1.00 0.65 H new ATOM 0 HB2 ASP A 14 -1.019 -17.180 5.954 1.00 0.71 H new ATOM 0 HB3 ASP A 14 -1.038 -15.467 6.324 1.00 0.71 H new ATOM 211 N TYR A 15 -2.210 -18.157 3.909 1.00 0.36 N ATOM 212 CA TYR A 15 -2.502 -19.509 3.343 1.00 0.27 C ATOM 213 C TYR A 15 -1.255 -20.390 3.462 1.00 0.23 C ATOM 214 O TYR A 15 -0.207 -19.921 3.864 1.00 0.24 O ATOM 215 CB TYR A 15 -2.849 -19.349 1.855 1.00 0.21 C ATOM 216 CG TYR A 15 -3.618 -20.577 1.356 1.00 0.19 C ATOM 217 CD1 TYR A 15 -2.949 -21.721 0.984 1.00 0.17 C ATOM 218 CD2 TYR A 15 -4.994 -20.572 1.328 1.00 0.20 C ATOM 219 CE1 TYR A 15 -3.625 -22.840 0.611 1.00 0.14 C ATOM 220 CE2 TYR A 15 -5.688 -21.704 0.940 1.00 0.18 C ATOM 221 CZ TYR A 15 -5.004 -22.855 0.583 1.00 0.15 C ATOM 222 OH TYR A 15 -5.686 -24.011 0.259 1.00 0.14 O ATOM 0 H TYR A 15 -1.259 -17.824 3.750 1.00 0.36 H new ATOM 0 HA TYR A 15 -3.330 -19.967 3.884 1.00 0.27 H new ATOM 0 HB2 TYR A 15 -3.449 -18.451 1.709 1.00 0.21 H new ATOM 0 HB3 TYR A 15 -1.936 -19.221 1.273 1.00 0.21 H new ATOM 0 HD1 TYR A 15 -1.869 -21.730 0.989 1.00 0.17 H new ATOM 0 HD2 TYR A 15 -5.534 -19.680 1.610 1.00 0.20 H new ATOM 0 HE1 TYR A 15 -3.076 -23.728 0.333 1.00 0.14 H new ATOM 0 HE2 TYR A 15 -6.768 -21.691 0.915 1.00 0.18 H new ATOM 0 HH TYR A 15 -6.611 -23.790 0.023 1.00 0.14 H new ATOM 232 N LYS A 16 -1.377 -21.642 3.118 1.00 0.19 N ATOM 233 CA LYS A 16 -0.190 -22.535 3.217 1.00 0.16 C ATOM 234 C LYS A 16 -0.198 -23.694 2.205 1.00 0.13 C ATOM 235 O LYS A 16 -0.244 -24.847 2.589 1.00 0.17 O ATOM 236 CB LYS A 16 -0.148 -23.112 4.632 1.00 0.19 C ATOM 237 CG LYS A 16 -1.570 -23.457 5.061 1.00 2.74 C ATOM 238 CD LYS A 16 -1.521 -24.238 6.374 1.00 2.74 C ATOM 239 CE LYS A 16 -1.454 -25.734 6.067 1.00 4.36 C ATOM 240 NZ LYS A 16 -2.763 -26.219 5.542 1.00 6.11 N ATOM 0 H LYS A 16 -2.233 -22.080 2.778 1.00 0.19 H new ATOM 0 HA LYS A 16 0.689 -21.933 2.989 1.00 0.16 H new ATOM 0 HB2 LYS A 16 0.481 -24.002 4.659 1.00 0.19 H new ATOM 0 HB3 LYS A 16 0.290 -22.391 5.322 1.00 0.19 H new ATOM 0 HG2 LYS A 16 -2.156 -22.547 5.187 1.00 2.74 H new ATOM 0 HG3 LYS A 16 -2.062 -24.049 4.289 1.00 2.74 H new ATOM 0 HD2 LYS A 16 -0.652 -23.935 6.959 1.00 2.74 H new ATOM 0 HD3 LYS A 16 -2.403 -24.017 6.975 1.00 2.74 H new ATOM 0 HE2 LYS A 16 -0.669 -25.926 5.336 1.00 4.36 H new ATOM 0 HE3 LYS A 16 -1.191 -26.285 6.970 1.00 4.36 H new ATOM 0 HZ1 LYS A 16 -2.858 -27.237 5.733 1.00 6.11 H new ATOM 0 HZ2 LYS A 16 -3.537 -25.705 6.010 1.00 6.11 H new ATOM 0 HZ3 LYS A 16 -2.809 -26.053 4.516 1.00 6.11 H new ATOM 254 N ALA A 17 -0.162 -23.365 0.933 1.00 0.17 N ATOM 255 CA ALA A 17 -0.157 -24.439 -0.115 1.00 0.20 C ATOM 256 C ALA A 17 1.210 -24.497 -0.727 1.00 0.33 C ATOM 257 O ALA A 17 1.807 -25.544 -0.863 1.00 0.45 O ATOM 258 CB ALA A 17 -1.104 -24.111 -1.272 1.00 0.17 C ATOM 0 H ALA A 17 -0.136 -22.409 0.578 1.00 0.17 H new ATOM 0 HA ALA A 17 -0.459 -25.367 0.370 1.00 0.20 H new ATOM 0 HB1 ALA A 17 -1.070 -24.914 -2.009 1.00 0.17 H new ATOM 0 HB2 ALA A 17 -2.121 -24.009 -0.892 1.00 0.17 H new ATOM 0 HB3 ALA A 17 -0.796 -23.176 -1.740 1.00 0.17 H new ATOM 264 N GLN A 18 1.645 -23.329 -1.090 1.00 0.39 N ATOM 265 CA GLN A 18 2.989 -23.164 -1.724 1.00 0.58 C ATOM 266 C GLN A 18 2.890 -23.437 -3.213 1.00 0.48 C ATOM 267 O GLN A 18 3.449 -22.724 -4.023 1.00 0.49 O ATOM 268 CB GLN A 18 3.970 -24.171 -1.118 1.00 0.85 C ATOM 269 CG GLN A 18 5.394 -23.621 -1.216 1.00 0.86 C ATOM 270 CD GLN A 18 6.388 -24.737 -0.883 1.00 1.66 C ATOM 271 OE1 GLN A 18 7.371 -24.526 -0.202 1.00 2.27 O ATOM 272 NE2 GLN A 18 6.169 -25.939 -1.344 1.00 1.99 N ATOM 0 H GLN A 18 1.121 -22.462 -0.975 1.00 0.39 H new ATOM 0 HA GLN A 18 3.336 -22.146 -1.550 1.00 0.58 H new ATOM 0 HB2 GLN A 18 3.714 -24.362 -0.076 1.00 0.85 H new ATOM 0 HB3 GLN A 18 3.900 -25.124 -1.643 1.00 0.85 H new ATOM 0 HG2 GLN A 18 5.581 -23.239 -2.219 1.00 0.86 H new ATOM 0 HG3 GLN A 18 5.522 -22.786 -0.528 1.00 0.86 H new ATOM 0 HE21 GLN A 18 5.345 -26.123 -1.917 1.00 1.99 H new ATOM 0 HE22 GLN A 18 6.822 -26.694 -1.131 1.00 1.99 H new ATOM 281 N ARG A 19 2.175 -24.475 -3.538 1.00 0.43 N ATOM 282 CA ARG A 19 2.015 -24.827 -4.972 1.00 0.48 C ATOM 283 C ARG A 19 1.143 -26.062 -5.134 1.00 0.49 C ATOM 284 O ARG A 19 1.632 -27.129 -5.453 1.00 0.49 O ATOM 285 CB ARG A 19 3.386 -25.132 -5.589 1.00 0.57 C ATOM 286 CG ARG A 19 4.210 -25.983 -4.609 1.00 2.34 C ATOM 287 CD ARG A 19 5.279 -26.804 -5.359 1.00 2.62 C ATOM 288 NE ARG A 19 6.623 -26.262 -5.026 1.00 1.47 N ATOM 289 CZ ARG A 19 7.630 -26.530 -5.811 1.00 1.38 C ATOM 290 NH1 ARG A 19 7.496 -27.466 -6.711 1.00 0.60 N ATOM 291 NH2 ARG A 19 8.736 -25.854 -5.668 1.00 3.82 N ATOM 0 H ARG A 19 1.698 -25.090 -2.878 1.00 0.43 H new ATOM 0 HA ARG A 19 1.546 -23.979 -5.472 1.00 0.48 H new ATOM 0 HB2 ARG A 19 3.262 -25.663 -6.533 1.00 0.57 H new ATOM 0 HB3 ARG A 19 3.911 -24.203 -5.812 1.00 0.57 H new ATOM 0 HG2 ARG A 19 4.691 -25.337 -3.875 1.00 2.34 H new ATOM 0 HG3 ARG A 19 3.550 -26.654 -4.059 1.00 2.34 H new ATOM 0 HD2 ARG A 19 5.215 -27.855 -5.075 1.00 2.62 H new ATOM 0 HD3 ARG A 19 5.108 -26.753 -6.434 1.00 2.62 H new ATOM 0 HE ARG A 19 6.756 -25.688 -4.194 1.00 1.47 H new ATOM 0 HH11 ARG A 19 6.615 -27.974 -6.792 1.00 0.60 H new ATOM 0 HH12 ARG A 19 8.272 -27.690 -7.334 1.00 0.60 H new ATOM 0 HH21 ARG A 19 8.803 -25.131 -4.952 1.00 3.82 H new ATOM 0 HH22 ARG A 19 9.534 -26.049 -6.272 1.00 3.82 H new ATOM 305 N GLU A 20 -0.131 -25.893 -4.911 1.00 0.60 N ATOM 306 CA GLU A 20 -1.060 -27.057 -5.051 1.00 0.67 C ATOM 307 C GLU A 20 -2.210 -26.620 -5.909 1.00 0.49 C ATOM 308 O GLU A 20 -3.287 -27.180 -5.870 1.00 0.57 O ATOM 309 CB GLU A 20 -1.601 -27.466 -3.675 1.00 0.71 C ATOM 310 CG GLU A 20 -2.716 -26.513 -3.226 1.00 0.58 C ATOM 311 CD GLU A 20 -3.084 -26.846 -1.779 1.00 1.65 C ATOM 312 OE1 GLU A 20 -2.164 -27.181 -1.051 1.00 2.39 O ATOM 313 OE2 GLU A 20 -4.263 -26.750 -1.484 1.00 2.36 O ATOM 0 H GLU A 20 -0.568 -25.012 -4.641 1.00 0.60 H new ATOM 0 HA GLU A 20 -0.534 -27.904 -5.492 1.00 0.67 H new ATOM 0 HB2 GLU A 20 -1.983 -28.486 -3.717 1.00 0.71 H new ATOM 0 HB3 GLU A 20 -0.793 -27.458 -2.944 1.00 0.71 H new ATOM 0 HG2 GLU A 20 -2.384 -25.478 -3.304 1.00 0.58 H new ATOM 0 HG3 GLU A 20 -3.587 -26.618 -3.872 1.00 0.58 H new ATOM 320 N ASP A 21 -1.897 -25.655 -6.703 1.00 0.45 N ATOM 321 CA ASP A 21 -2.874 -25.056 -7.625 1.00 0.28 C ATOM 322 C ASP A 21 -3.417 -23.900 -6.802 1.00 0.58 C ATOM 323 O ASP A 21 -4.206 -23.097 -7.228 1.00 1.75 O ATOM 324 CB ASP A 21 -3.984 -26.054 -8.022 1.00 0.23 C ATOM 325 CG ASP A 21 -4.561 -25.673 -9.390 1.00 2.50 C ATOM 326 OD1 ASP A 21 -3.774 -25.240 -10.215 1.00 2.74 O ATOM 327 OD2 ASP A 21 -5.760 -25.844 -9.532 1.00 3.99 O ATOM 0 H ASP A 21 -0.966 -25.241 -6.752 1.00 0.45 H new ATOM 0 HA ASP A 21 -2.443 -24.750 -8.578 1.00 0.28 H new ATOM 0 HB2 ASP A 21 -3.580 -27.066 -8.057 1.00 0.23 H new ATOM 0 HB3 ASP A 21 -4.774 -26.051 -7.271 1.00 0.23 H new ATOM 332 N GLU A 22 -2.886 -23.875 -5.595 1.00 0.36 N ATOM 333 CA GLU A 22 -3.217 -22.859 -4.568 1.00 0.12 C ATOM 334 C GLU A 22 -1.850 -22.436 -3.992 1.00 0.11 C ATOM 335 O GLU A 22 -0.901 -23.166 -4.191 1.00 0.15 O ATOM 336 CB GLU A 22 -4.076 -23.528 -3.475 1.00 0.19 C ATOM 337 CG GLU A 22 -5.282 -22.663 -3.114 1.00 0.17 C ATOM 338 CD GLU A 22 -6.198 -23.443 -2.176 1.00 0.34 C ATOM 339 OE1 GLU A 22 -6.186 -24.658 -2.289 1.00 0.56 O ATOM 340 OE2 GLU A 22 -6.860 -22.781 -1.392 1.00 0.86 O ATOM 0 H GLU A 22 -2.201 -24.562 -5.278 1.00 0.36 H new ATOM 0 HA GLU A 22 -3.774 -22.008 -4.960 1.00 0.12 H new ATOM 0 HB2 GLU A 22 -4.416 -24.504 -3.822 1.00 0.19 H new ATOM 0 HB3 GLU A 22 -3.469 -23.700 -2.586 1.00 0.19 H new ATOM 0 HG2 GLU A 22 -4.953 -21.741 -2.636 1.00 0.17 H new ATOM 0 HG3 GLU A 22 -5.823 -22.378 -4.016 1.00 0.17 H new ATOM 347 N LEU A 23 -1.725 -21.300 -3.323 1.00 0.12 N ATOM 348 CA LEU A 23 -0.354 -20.940 -2.783 1.00 0.16 C ATOM 349 C LEU A 23 -0.376 -20.623 -1.299 1.00 0.16 C ATOM 350 O LEU A 23 -1.412 -20.363 -0.731 1.00 0.15 O ATOM 351 CB LEU A 23 0.235 -19.703 -3.476 1.00 0.26 C ATOM 352 CG LEU A 23 -0.420 -19.454 -4.834 1.00 0.25 C ATOM 353 CD1 LEU A 23 -1.277 -18.177 -4.846 1.00 0.30 C ATOM 354 CD2 LEU A 23 0.708 -19.335 -5.851 1.00 0.20 C ATOM 0 H LEU A 23 -2.473 -20.633 -3.133 1.00 0.12 H new ATOM 0 HA LEU A 23 0.254 -21.824 -2.977 1.00 0.16 H new ATOM 0 HB2 LEU A 23 0.098 -18.829 -2.840 1.00 0.26 H new ATOM 0 HB3 LEU A 23 1.309 -19.836 -3.608 1.00 0.26 H new ATOM 0 HG LEU A 23 -1.095 -20.277 -5.069 1.00 0.25 H new ATOM 0 HD11 LEU A 23 -1.720 -18.045 -5.833 1.00 0.30 H new ATOM 0 HD12 LEU A 23 -2.068 -18.263 -4.102 1.00 0.30 H new ATOM 0 HD13 LEU A 23 -0.651 -17.316 -4.612 1.00 0.30 H new ATOM 0 HD21 LEU A 23 0.288 -19.156 -6.841 1.00 0.20 H new ATOM 0 HD22 LEU A 23 1.359 -18.504 -5.577 1.00 0.20 H new ATOM 0 HD23 LEU A 23 1.285 -20.259 -5.864 1.00 0.20 H new ATOM 366 N THR A 24 0.801 -20.581 -0.728 1.00 0.18 N ATOM 367 CA THR A 24 0.930 -20.283 0.715 1.00 0.19 C ATOM 368 C THR A 24 1.012 -18.798 0.913 1.00 0.20 C ATOM 369 O THR A 24 1.549 -18.316 1.889 1.00 0.21 O ATOM 370 CB THR A 24 2.224 -20.916 1.237 1.00 0.20 C ATOM 371 OG1 THR A 24 2.383 -20.415 2.550 1.00 0.25 O ATOM 372 CG2 THR A 24 3.435 -20.374 0.477 1.00 0.32 C ATOM 0 H THR A 24 1.684 -20.744 -1.213 1.00 0.18 H new ATOM 0 HA THR A 24 0.068 -20.681 1.249 1.00 0.19 H new ATOM 0 HB THR A 24 2.166 -22.001 1.149 1.00 0.20 H new ATOM 0 HG1 THR A 24 2.580 -19.456 2.512 1.00 0.25 H new ATOM 0 HG21 THR A 24 4.344 -20.836 0.863 1.00 0.32 H new ATOM 0 HG22 THR A 24 3.333 -20.605 -0.583 1.00 0.32 H new ATOM 0 HG23 THR A 24 3.493 -19.294 0.609 1.00 0.32 H new ATOM 380 N PHE A 25 0.479 -18.104 -0.037 1.00 0.21 N ATOM 381 CA PHE A 25 0.500 -16.638 0.052 1.00 0.23 C ATOM 382 C PHE A 25 0.130 -16.206 1.465 1.00 0.28 C ATOM 383 O PHE A 25 -0.600 -16.899 2.147 1.00 0.44 O ATOM 384 CB PHE A 25 -0.462 -16.079 -0.985 1.00 0.19 C ATOM 385 CG PHE A 25 -1.863 -16.635 -0.799 1.00 0.22 C ATOM 386 CD1 PHE A 25 -2.748 -16.070 0.097 1.00 0.20 C ATOM 387 CD2 PHE A 25 -2.283 -17.671 -1.595 1.00 0.31 C ATOM 388 CE1 PHE A 25 -4.042 -16.543 0.178 1.00 0.23 C ATOM 389 CE2 PHE A 25 -3.542 -18.145 -1.529 1.00 0.34 C ATOM 390 CZ PHE A 25 -4.437 -17.586 -0.638 1.00 0.29 C ATOM 0 H PHE A 25 0.031 -18.489 -0.868 1.00 0.21 H new ATOM 0 HA PHE A 25 1.497 -16.249 -0.156 1.00 0.23 H new ATOM 0 HB2 PHE A 25 -0.488 -14.992 -0.911 1.00 0.19 H new ATOM 0 HB3 PHE A 25 -0.103 -16.322 -1.985 1.00 0.19 H new ATOM 0 HD1 PHE A 25 -2.428 -15.259 0.734 1.00 0.20 H new ATOM 0 HD2 PHE A 25 -1.588 -18.117 -2.291 1.00 0.31 H new ATOM 0 HE1 PHE A 25 -4.740 -16.102 0.874 1.00 0.23 H new ATOM 0 HE2 PHE A 25 -3.850 -18.958 -2.170 1.00 0.34 H new ATOM 0 HZ PHE A 25 -5.447 -17.964 -0.579 1.00 0.29 H new ATOM 400 N ILE A 26 0.634 -15.078 1.878 1.00 0.25 N ATOM 401 CA ILE A 26 0.326 -14.595 3.255 1.00 0.28 C ATOM 402 C ILE A 26 -0.688 -13.462 3.300 1.00 0.12 C ATOM 403 O ILE A 26 -1.141 -12.971 2.284 1.00 0.25 O ATOM 404 CB ILE A 26 1.622 -14.074 3.868 1.00 0.47 C ATOM 405 CG1 ILE A 26 2.369 -13.224 2.840 1.00 0.53 C ATOM 406 CG2 ILE A 26 2.486 -15.282 4.249 1.00 0.54 C ATOM 407 CD1 ILE A 26 3.620 -12.611 3.478 1.00 0.76 C ATOM 0 H ILE A 26 1.242 -14.472 1.327 1.00 0.25 H new ATOM 0 HA ILE A 26 -0.104 -15.437 3.798 1.00 0.28 H new ATOM 0 HB ILE A 26 1.407 -13.465 4.746 1.00 0.47 H new ATOM 0 HG12 ILE A 26 2.650 -13.837 1.984 1.00 0.53 H new ATOM 0 HG13 ILE A 26 1.717 -12.434 2.466 1.00 0.53 H new ATOM 0 HG21 ILE A 26 3.421 -14.936 4.691 1.00 0.54 H new ATOM 0 HG22 ILE A 26 1.951 -15.899 4.970 1.00 0.54 H new ATOM 0 HG23 ILE A 26 2.702 -15.871 3.357 1.00 0.54 H new ATOM 0 HD11 ILE A 26 4.147 -12.007 2.739 1.00 0.76 H new ATOM 0 HD12 ILE A 26 3.329 -11.982 4.319 1.00 0.76 H new ATOM 0 HD13 ILE A 26 4.276 -13.407 3.830 1.00 0.76 H new ATOM 419 N LYS A 27 -1.012 -13.068 4.505 1.00 0.16 N ATOM 420 CA LYS A 27 -1.984 -11.972 4.698 1.00 0.19 C ATOM 421 C LYS A 27 -1.342 -10.661 4.315 1.00 0.26 C ATOM 422 O LYS A 27 -0.460 -10.192 5.003 1.00 0.66 O ATOM 423 CB LYS A 27 -2.371 -11.894 6.181 1.00 0.38 C ATOM 424 CG LYS A 27 -2.930 -10.488 6.478 1.00 0.48 C ATOM 425 CD LYS A 27 -3.744 -10.508 7.786 1.00 2.35 C ATOM 426 CE LYS A 27 -2.795 -10.510 8.989 1.00 1.57 C ATOM 427 NZ LYS A 27 -3.566 -10.336 10.255 1.00 1.99 N ATOM 0 H LYS A 27 -0.637 -13.468 5.365 1.00 0.16 H new ATOM 0 HA LYS A 27 -2.863 -12.160 4.082 1.00 0.19 H new ATOM 0 HB2 LYS A 27 -3.117 -12.654 6.416 1.00 0.38 H new ATOM 0 HB3 LYS A 27 -1.502 -12.095 6.808 1.00 0.38 H new ATOM 0 HG2 LYS A 27 -2.112 -9.773 6.561 1.00 0.48 H new ATOM 0 HG3 LYS A 27 -3.561 -10.157 5.653 1.00 0.48 H new ATOM 0 HD2 LYS A 27 -4.400 -9.638 7.830 1.00 2.35 H new ATOM 0 HD3 LYS A 27 -4.383 -11.391 7.814 1.00 2.35 H new ATOM 0 HE2 LYS A 27 -2.238 -11.446 9.020 1.00 1.57 H new ATOM 0 HE3 LYS A 27 -2.065 -9.707 8.886 1.00 1.57 H new ATOM 0 HZ1 LYS A 27 -2.912 -10.339 11.063 1.00 1.99 H new ATOM 0 HZ2 LYS A 27 -4.078 -9.431 10.228 1.00 1.99 H new ATOM 0 HZ3 LYS A 27 -4.246 -11.116 10.357 1.00 1.99 H new ATOM 441 N SER A 28 -1.804 -10.147 3.216 1.00 0.22 N ATOM 442 CA SER A 28 -1.314 -8.856 2.651 1.00 0.20 C ATOM 443 C SER A 28 -0.846 -9.068 1.216 1.00 0.14 C ATOM 444 O SER A 28 -0.645 -8.122 0.480 1.00 0.27 O ATOM 445 CB SER A 28 -0.131 -8.272 3.442 1.00 0.20 C ATOM 446 OG SER A 28 0.224 -7.109 2.708 1.00 0.24 O ATOM 0 H SER A 28 -2.536 -10.587 2.658 1.00 0.22 H new ATOM 0 HA SER A 28 -2.149 -8.158 2.705 1.00 0.20 H new ATOM 0 HB2 SER A 28 -0.415 -8.028 4.466 1.00 0.20 H new ATOM 0 HB3 SER A 28 0.698 -8.977 3.501 1.00 0.20 H new ATOM 0 HG SER A 28 -0.313 -7.062 1.890 1.00 0.24 H new ATOM 452 N ALA A 29 -0.673 -10.313 0.844 1.00 0.05 N ATOM 453 CA ALA A 29 -0.217 -10.592 -0.543 1.00 0.18 C ATOM 454 C ALA A 29 -1.091 -9.817 -1.503 1.00 0.26 C ATOM 455 O ALA A 29 -2.194 -9.458 -1.153 1.00 0.52 O ATOM 456 CB ALA A 29 -0.365 -12.092 -0.825 1.00 0.29 C ATOM 0 H ALA A 29 -0.826 -11.132 1.433 1.00 0.05 H new ATOM 0 HA ALA A 29 0.825 -10.297 -0.664 1.00 0.18 H new ATOM 0 HB1 ALA A 29 -0.033 -12.306 -1.841 1.00 0.29 H new ATOM 0 HB2 ALA A 29 0.243 -12.657 -0.118 1.00 0.29 H new ATOM 0 HB3 ALA A 29 -1.410 -12.381 -0.717 1.00 0.29 H new ATOM 462 N ILE A 30 -0.602 -9.567 -2.691 1.00 0.13 N ATOM 463 CA ILE A 30 -1.425 -8.806 -3.660 1.00 0.18 C ATOM 464 C ILE A 30 -1.468 -9.519 -5.009 1.00 0.31 C ATOM 465 O ILE A 30 -0.915 -9.057 -5.989 1.00 0.96 O ATOM 466 CB ILE A 30 -0.808 -7.417 -3.843 1.00 0.19 C ATOM 467 CG1 ILE A 30 -0.316 -6.846 -2.508 1.00 0.31 C ATOM 468 CG2 ILE A 30 -1.899 -6.485 -4.377 1.00 0.18 C ATOM 469 CD1 ILE A 30 1.175 -7.152 -2.336 1.00 1.85 C ATOM 0 H ILE A 30 0.319 -9.855 -3.023 1.00 0.13 H new ATOM 0 HA ILE A 30 -2.443 -8.726 -3.278 1.00 0.18 H new ATOM 0 HB ILE A 30 0.038 -7.496 -4.526 1.00 0.19 H new ATOM 0 HG12 ILE A 30 -0.482 -5.769 -2.478 1.00 0.31 H new ATOM 0 HG13 ILE A 30 -0.884 -7.279 -1.684 1.00 0.31 H new ATOM 0 HG21 ILE A 30 -1.487 -5.486 -4.517 1.00 0.18 H new ATOM 0 HG22 ILE A 30 -2.266 -6.864 -5.331 1.00 0.18 H new ATOM 0 HG23 ILE A 30 -2.722 -6.441 -3.663 1.00 0.18 H new ATOM 0 HD11 ILE A 30 1.523 -6.745 -1.386 1.00 1.85 H new ATOM 0 HD12 ILE A 30 1.329 -8.231 -2.347 1.00 1.85 H new ATOM 0 HD13 ILE A 30 1.736 -6.698 -3.153 1.00 1.85 H new ATOM 481 N ILE A 31 -2.131 -10.636 -5.026 1.00 0.34 N ATOM 482 CA ILE A 31 -2.242 -11.420 -6.283 1.00 0.28 C ATOM 483 C ILE A 31 -2.795 -10.530 -7.403 1.00 0.29 C ATOM 484 O ILE A 31 -3.574 -9.637 -7.136 1.00 0.33 O ATOM 485 CB ILE A 31 -3.181 -12.588 -5.995 1.00 0.26 C ATOM 486 CG1 ILE A 31 -2.635 -13.360 -4.779 1.00 0.26 C ATOM 487 CG2 ILE A 31 -3.198 -13.510 -7.219 1.00 0.26 C ATOM 488 CD1 ILE A 31 -3.608 -14.455 -4.360 1.00 0.23 C ATOM 0 H ILE A 31 -2.604 -11.043 -4.219 1.00 0.34 H new ATOM 0 HA ILE A 31 -1.270 -11.789 -6.611 1.00 0.28 H new ATOM 0 HB ILE A 31 -4.190 -12.233 -5.787 1.00 0.26 H new ATOM 0 HG12 ILE A 31 -1.668 -13.799 -5.024 1.00 0.26 H new ATOM 0 HG13 ILE A 31 -2.472 -12.673 -3.948 1.00 0.26 H new ATOM 0 HG21 ILE A 31 -3.865 -14.352 -7.031 1.00 0.26 H new ATOM 0 HG22 ILE A 31 -3.551 -12.955 -8.088 1.00 0.26 H new ATOM 0 HG23 ILE A 31 -2.191 -13.881 -7.409 1.00 0.26 H new ATOM 0 HD11 ILE A 31 -3.206 -14.990 -3.500 1.00 0.23 H new ATOM 0 HD12 ILE A 31 -4.566 -14.008 -4.094 1.00 0.23 H new ATOM 0 HD13 ILE A 31 -3.750 -15.152 -5.186 1.00 0.23 H new ATOM 500 N GLN A 32 -2.391 -10.788 -8.633 1.00 0.28 N ATOM 501 CA GLN A 32 -2.896 -9.946 -9.765 1.00 0.33 C ATOM 502 C GLN A 32 -3.711 -10.755 -10.765 1.00 0.34 C ATOM 503 O GLN A 32 -3.621 -11.967 -10.811 1.00 0.31 O ATOM 504 CB GLN A 32 -1.685 -9.351 -10.492 1.00 0.45 C ATOM 505 CG GLN A 32 -0.669 -8.876 -9.453 1.00 0.57 C ATOM 506 CD GLN A 32 0.260 -7.841 -10.089 1.00 0.76 C ATOM 507 OE1 GLN A 32 0.607 -7.931 -11.248 1.00 0.83 O ATOM 508 NE2 GLN A 32 0.686 -6.844 -9.362 1.00 1.02 N ATOM 0 H GLN A 32 -1.745 -11.533 -8.894 1.00 0.28 H new ATOM 0 HA GLN A 32 -3.545 -9.173 -9.353 1.00 0.33 H new ATOM 0 HB2 GLN A 32 -1.234 -10.097 -11.147 1.00 0.45 H new ATOM 0 HB3 GLN A 32 -1.996 -8.519 -11.124 1.00 0.45 H new ATOM 0 HG2 GLN A 32 -1.184 -8.441 -8.596 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -0.090 -9.721 -9.081 1.00 0.57 H new ATOM 0 HE21 GLN A 32 0.397 -6.764 -8.387 1.00 1.02 H new ATOM 0 HE22 GLN A 32 1.308 -6.145 -9.769 1.00 1.02 H new ATOM 517 N ASN A 33 -4.491 -10.061 -11.557 1.00 0.42 N ATOM 518 CA ASN A 33 -5.319 -10.767 -12.556 1.00 0.48 C ATOM 519 C ASN A 33 -6.107 -11.826 -11.837 1.00 0.41 C ATOM 520 O ASN A 33 -5.636 -12.922 -11.623 1.00 0.44 O ATOM 521 CB ASN A 33 -4.409 -11.417 -13.605 1.00 0.62 C ATOM 522 CG ASN A 33 -5.275 -11.977 -14.735 1.00 0.83 C ATOM 523 OD1 ASN A 33 -5.398 -13.175 -14.907 1.00 3.14 O ATOM 524 ND2 ASN A 33 -5.894 -11.144 -15.527 1.00 1.21 N ATOM 0 H ASN A 33 -4.583 -9.045 -11.548 1.00 0.42 H new ATOM 0 HA ASN A 33 -5.992 -10.072 -13.059 1.00 0.48 H new ATOM 0 HB2 ASN A 33 -3.704 -10.684 -13.998 1.00 0.62 H new ATOM 0 HB3 ASN A 33 -3.820 -12.214 -13.151 1.00 0.62 H new ATOM 0 HD21 ASN A 33 -6.477 -11.499 -16.285 1.00 1.21 H new ATOM 0 HD22 ASN A 33 -5.795 -10.138 -15.388 1.00 1.21 H new ATOM 531 N VAL A 34 -7.299 -11.462 -11.477 1.00 0.38 N ATOM 532 CA VAL A 34 -8.167 -12.411 -10.753 1.00 0.36 C ATOM 533 C VAL A 34 -9.494 -12.689 -11.450 1.00 0.46 C ATOM 534 O VAL A 34 -9.941 -11.929 -12.286 1.00 0.49 O ATOM 535 CB VAL A 34 -8.401 -11.762 -9.382 1.00 0.19 C ATOM 536 CG1 VAL A 34 -9.891 -11.686 -9.035 1.00 0.27 C ATOM 537 CG2 VAL A 34 -7.663 -12.571 -8.341 1.00 0.19 C ATOM 0 H VAL A 34 -7.708 -10.545 -11.655 1.00 0.38 H new ATOM 0 HA VAL A 34 -7.686 -13.387 -10.693 1.00 0.36 H new ATOM 0 HB VAL A 34 -8.027 -10.738 -9.407 1.00 0.19 H new ATOM 0 HG11 VAL A 34 -10.014 -11.220 -8.057 1.00 0.27 H new ATOM 0 HG12 VAL A 34 -10.410 -11.092 -9.787 1.00 0.27 H new ATOM 0 HG13 VAL A 34 -10.311 -12.691 -9.013 1.00 0.27 H new ATOM 0 HG21 VAL A 34 -7.817 -12.126 -7.358 1.00 0.19 H new ATOM 0 HG22 VAL A 34 -8.041 -13.593 -8.339 1.00 0.19 H new ATOM 0 HG23 VAL A 34 -6.598 -12.578 -8.574 1.00 0.19 H new ATOM 547 N GLU A 35 -10.092 -13.792 -11.070 1.00 0.54 N ATOM 548 CA GLU A 35 -11.392 -14.181 -11.668 1.00 0.69 C ATOM 549 C GLU A 35 -12.049 -15.318 -10.874 1.00 0.54 C ATOM 550 O GLU A 35 -11.767 -16.480 -11.088 1.00 0.39 O ATOM 551 CB GLU A 35 -11.141 -14.648 -13.110 1.00 0.84 C ATOM 552 CG GLU A 35 -11.846 -13.698 -14.082 1.00 1.31 C ATOM 553 CD GLU A 35 -13.356 -13.937 -14.013 1.00 0.88 C ATOM 554 OE1 GLU A 35 -13.750 -14.656 -13.109 1.00 1.89 O ATOM 555 OE2 GLU A 35 -14.030 -13.391 -14.870 1.00 1.76 O ATOM 0 H GLU A 35 -9.729 -14.437 -10.368 1.00 0.54 H new ATOM 0 HA GLU A 35 -12.063 -13.322 -11.648 1.00 0.69 H new ATOM 0 HB2 GLU A 35 -10.071 -14.669 -13.316 1.00 0.84 H new ATOM 0 HB3 GLU A 35 -11.511 -15.664 -13.245 1.00 0.84 H new ATOM 0 HG2 GLU A 35 -11.618 -12.663 -13.828 1.00 1.31 H new ATOM 0 HG3 GLU A 35 -11.485 -13.864 -15.097 1.00 1.31 H new ATOM 562 N LYS A 36 -12.902 -14.944 -9.952 1.00 0.63 N ATOM 563 CA LYS A 36 -13.605 -15.969 -9.119 1.00 0.57 C ATOM 564 C LYS A 36 -14.042 -17.140 -9.977 1.00 0.42 C ATOM 565 O LYS A 36 -14.243 -17.009 -11.169 1.00 0.33 O ATOM 566 CB LYS A 36 -14.854 -15.317 -8.510 1.00 0.81 C ATOM 567 CG LYS A 36 -14.741 -13.794 -8.629 1.00 0.99 C ATOM 568 CD LYS A 36 -15.888 -13.141 -7.859 1.00 1.23 C ATOM 569 CE LYS A 36 -15.607 -11.642 -7.725 1.00 1.38 C ATOM 570 NZ LYS A 36 -15.494 -11.010 -9.070 1.00 1.76 N ATOM 0 H LYS A 36 -13.142 -13.975 -9.740 1.00 0.63 H new ATOM 0 HA LYS A 36 -12.929 -16.330 -8.343 1.00 0.57 H new ATOM 0 HB2 LYS A 36 -15.749 -15.668 -9.024 1.00 0.81 H new ATOM 0 HB3 LYS A 36 -14.955 -15.605 -7.464 1.00 0.81 H new ATOM 0 HG2 LYS A 36 -13.783 -13.457 -8.233 1.00 0.99 H new ATOM 0 HG3 LYS A 36 -14.775 -13.496 -9.677 1.00 0.99 H new ATOM 0 HD2 LYS A 36 -16.832 -13.302 -8.380 1.00 1.23 H new ATOM 0 HD3 LYS A 36 -15.987 -13.595 -6.873 1.00 1.23 H new ATOM 0 HE2 LYS A 36 -16.407 -11.165 -7.159 1.00 1.38 H new ATOM 0 HE3 LYS A 36 -14.684 -11.487 -7.165 1.00 1.38 H new ATOM 0 HZ1 LYS A 36 -15.558 -9.976 -8.974 1.00 1.76 H new ATOM 0 HZ2 LYS A 36 -14.579 -11.262 -9.496 1.00 1.76 H new ATOM 0 HZ3 LYS A 36 -16.265 -11.350 -9.679 1.00 1.76 H new ATOM 623 N GLY A 40 -16.513 -19.904 -5.520 1.00 0.46 N ATOM 624 CA GLY A 40 -15.875 -18.938 -4.587 1.00 0.22 C ATOM 625 C GLY A 40 -14.375 -19.221 -4.512 1.00 0.14 C ATOM 626 O GLY A 40 -13.817 -19.364 -3.442 1.00 0.15 O ATOM 0 HA2 GLY A 40 -16.047 -17.917 -4.929 1.00 0.22 H new ATOM 0 HA3 GLY A 40 -16.322 -19.022 -3.597 1.00 0.22 H new ATOM 630 N TRP A 41 -13.754 -19.321 -5.659 1.00 0.18 N ATOM 631 CA TRP A 41 -12.289 -19.596 -5.687 1.00 0.22 C ATOM 632 C TRP A 41 -11.709 -18.639 -6.692 1.00 0.25 C ATOM 633 O TRP A 41 -12.253 -18.460 -7.757 1.00 0.33 O ATOM 634 CB TRP A 41 -12.055 -21.081 -5.989 1.00 0.27 C ATOM 635 CG TRP A 41 -12.625 -21.793 -4.764 1.00 0.27 C ATOM 636 CD1 TRP A 41 -13.938 -21.987 -4.584 1.00 0.26 C ATOM 637 CD2 TRP A 41 -11.993 -21.929 -3.595 1.00 0.26 C ATOM 638 NE1 TRP A 41 -14.060 -22.201 -3.273 1.00 0.24 N ATOM 639 CE2 TRP A 41 -12.899 -22.173 -2.580 1.00 0.24 C ATOM 640 CE3 TRP A 41 -10.651 -21.843 -3.305 1.00 0.25 C ATOM 641 CZ2 TRP A 41 -12.467 -22.298 -1.275 1.00 0.22 C ATOM 642 CZ3 TRP A 41 -10.215 -21.983 -2.008 1.00 0.22 C ATOM 643 CH2 TRP A 41 -11.128 -22.205 -0.982 1.00 0.21 C ATOM 0 H TRP A 41 -14.197 -19.224 -6.573 1.00 0.18 H new ATOM 0 HA TRP A 41 -11.788 -19.430 -4.733 1.00 0.22 H new ATOM 0 HB2 TRP A 41 -12.562 -21.389 -6.903 1.00 0.27 H new ATOM 0 HB3 TRP A 41 -10.996 -21.300 -6.123 1.00 0.27 H new ATOM 0 HD1 TRP A 41 -14.719 -21.973 -5.330 1.00 0.26 H new ATOM 0 HE1 TRP A 41 -14.961 -22.373 -2.827 1.00 0.24 H new ATOM 0 HE3 TRP A 41 -9.939 -21.665 -4.097 1.00 0.25 H new ATOM 0 HZ2 TRP A 41 -13.182 -22.469 -0.484 1.00 0.22 H new ATOM 0 HZ3 TRP A 41 -9.160 -21.920 -1.785 1.00 0.22 H new ATOM 0 HH2 TRP A 41 -10.786 -22.304 0.038 1.00 0.21 H new ATOM 654 N TRP A 42 -10.618 -18.039 -6.322 1.00 0.21 N ATOM 655 CA TRP A 42 -9.976 -17.058 -7.219 1.00 0.21 C ATOM 656 C TRP A 42 -8.653 -17.465 -7.861 1.00 0.25 C ATOM 657 O TRP A 42 -7.855 -18.122 -7.250 1.00 0.60 O ATOM 658 CB TRP A 42 -9.615 -15.913 -6.290 1.00 0.20 C ATOM 659 CG TRP A 42 -10.865 -15.306 -5.682 1.00 0.20 C ATOM 660 CD1 TRP A 42 -11.891 -16.027 -5.205 1.00 0.23 C ATOM 661 CD2 TRP A 42 -11.143 -14.015 -5.645 1.00 0.22 C ATOM 662 NE1 TRP A 42 -12.795 -15.103 -4.938 1.00 0.26 N ATOM 663 CE2 TRP A 42 -12.416 -13.833 -5.158 1.00 0.26 C ATOM 664 CE3 TRP A 42 -10.354 -12.919 -5.913 1.00 0.22 C ATOM 665 CZ2 TRP A 42 -12.915 -12.580 -4.941 1.00 0.29 C ATOM 666 CZ3 TRP A 42 -10.857 -11.652 -5.683 1.00 0.25 C ATOM 667 CH2 TRP A 42 -12.137 -11.485 -5.204 1.00 0.28 C ATOM 0 H TRP A 42 -10.144 -18.189 -5.432 1.00 0.21 H new ATOM 0 HA TRP A 42 -10.667 -16.876 -8.042 1.00 0.21 H new ATOM 0 HB2 TRP A 42 -8.957 -16.273 -5.499 1.00 0.20 H new ATOM 0 HB3 TRP A 42 -9.064 -15.150 -6.841 1.00 0.20 H new ATOM 0 HD1 TRP A 42 -11.960 -17.097 -5.073 1.00 0.23 H new ATOM 0 HE1 TRP A 42 -13.723 -15.338 -4.587 1.00 0.26 H new ATOM 0 HE3 TRP A 42 -9.353 -13.048 -6.299 1.00 0.22 H new ATOM 0 HZ2 TRP A 42 -13.919 -12.454 -4.564 1.00 0.29 H new ATOM 0 HZ3 TRP A 42 -10.241 -10.787 -5.880 1.00 0.25 H new ATOM 0 HH2 TRP A 42 -12.526 -10.492 -5.036 1.00 0.28 H new ATOM 678 N ARG A 43 -8.421 -16.974 -9.061 1.00 0.10 N ATOM 679 CA ARG A 43 -7.152 -17.305 -9.776 1.00 0.09 C ATOM 680 C ARG A 43 -6.269 -16.055 -9.863 1.00 0.08 C ATOM 681 O ARG A 43 -6.663 -14.997 -9.441 1.00 0.08 O ATOM 682 CB ARG A 43 -7.464 -17.734 -11.202 1.00 0.08 C ATOM 683 CG ARG A 43 -7.052 -19.192 -11.406 1.00 0.09 C ATOM 684 CD ARG A 43 -7.520 -19.659 -12.790 1.00 0.17 C ATOM 685 NE ARG A 43 -6.986 -21.028 -13.054 1.00 0.32 N ATOM 686 CZ ARG A 43 -6.636 -21.361 -14.270 1.00 0.93 C ATOM 687 NH1 ARG A 43 -7.142 -20.705 -15.282 1.00 1.48 N ATOM 688 NH2 ARG A 43 -5.795 -22.346 -14.435 1.00 1.02 N ATOM 0 H ARG A 43 -9.057 -16.361 -9.570 1.00 0.10 H new ATOM 0 HA ARG A 43 -6.646 -18.103 -9.232 1.00 0.09 H new ATOM 0 HB2 ARG A 43 -8.529 -17.616 -11.402 1.00 0.08 H new ATOM 0 HB3 ARG A 43 -6.934 -17.095 -11.908 1.00 0.08 H new ATOM 0 HG2 ARG A 43 -5.970 -19.292 -11.322 1.00 0.09 H new ATOM 0 HG3 ARG A 43 -7.491 -19.819 -10.630 1.00 0.09 H new ATOM 0 HD2 ARG A 43 -8.609 -19.666 -12.835 1.00 0.17 H new ATOM 0 HD3 ARG A 43 -7.173 -18.966 -13.557 1.00 0.17 H new ATOM 0 HE ARG A 43 -6.895 -21.699 -12.291 1.00 0.32 H new ATOM 0 HH11 ARG A 43 -7.801 -19.944 -15.118 1.00 1.48 H new ATOM 0 HH12 ARG A 43 -6.878 -20.954 -16.235 1.00 1.48 H new ATOM 0 HH21 ARG A 43 -5.423 -22.841 -13.624 1.00 1.02 H new ATOM 0 HH22 ARG A 43 -5.510 -22.621 -15.375 1.00 1.02 H new ATOM 702 N GLY A 44 -5.090 -16.201 -10.422 1.00 0.08 N ATOM 703 CA GLY A 44 -4.157 -15.041 -10.549 1.00 0.11 C ATOM 704 C GLY A 44 -2.733 -15.475 -10.157 1.00 0.20 C ATOM 705 O GLY A 44 -2.542 -16.377 -9.366 1.00 0.35 O ATOM 0 H GLY A 44 -4.734 -17.080 -10.797 1.00 0.08 H new ATOM 0 HA2 GLY A 44 -4.165 -14.666 -11.573 1.00 0.11 H new ATOM 0 HA3 GLY A 44 -4.488 -14.224 -9.908 1.00 0.11 H new ATOM 709 N ASP A 45 -1.777 -14.819 -10.736 1.00 0.09 N ATOM 710 CA ASP A 45 -0.339 -15.141 -10.448 1.00 0.16 C ATOM 711 C ASP A 45 0.092 -14.731 -9.039 1.00 0.23 C ATOM 712 O ASP A 45 -0.466 -13.833 -8.453 1.00 0.23 O ATOM 713 CB ASP A 45 0.531 -14.365 -11.449 1.00 0.11 C ATOM 714 CG ASP A 45 1.409 -13.369 -10.689 1.00 0.43 C ATOM 715 OD1 ASP A 45 0.940 -12.257 -10.512 1.00 0.60 O ATOM 716 OD2 ASP A 45 2.502 -13.776 -10.332 1.00 0.66 O ATOM 0 H ASP A 45 -1.920 -14.063 -11.406 1.00 0.09 H new ATOM 0 HA ASP A 45 -0.219 -16.221 -10.533 1.00 0.16 H new ATOM 0 HB2 ASP A 45 1.153 -15.055 -12.019 1.00 0.11 H new ATOM 0 HB3 ASP A 45 -0.100 -13.839 -12.165 1.00 0.11 H new ATOM 721 N TYR A 46 1.099 -15.399 -8.531 1.00 0.31 N ATOM 722 CA TYR A 46 1.585 -15.063 -7.165 1.00 0.36 C ATOM 723 C TYR A 46 2.897 -15.772 -6.837 1.00 0.44 C ATOM 724 O TYR A 46 2.897 -16.904 -6.393 1.00 1.24 O ATOM 725 CB TYR A 46 0.547 -15.506 -6.125 1.00 0.28 C ATOM 726 CG TYR A 46 0.993 -14.906 -4.795 1.00 0.33 C ATOM 727 CD1 TYR A 46 1.065 -13.533 -4.657 1.00 0.34 C ATOM 728 CD2 TYR A 46 1.516 -15.702 -3.784 1.00 0.40 C ATOM 729 CE1 TYR A 46 1.658 -12.971 -3.565 1.00 0.44 C ATOM 730 CE2 TYR A 46 2.112 -15.127 -2.693 1.00 0.50 C ATOM 731 CZ TYR A 46 2.189 -13.759 -2.569 1.00 0.52 C ATOM 732 OH TYR A 46 2.794 -13.187 -1.468 1.00 0.64 O ATOM 0 H TYR A 46 1.598 -16.154 -9.001 1.00 0.31 H new ATOM 0 HA TYR A 46 1.743 -13.985 -7.137 1.00 0.36 H new ATOM 0 HB2 TYR A 46 -0.449 -15.155 -6.396 1.00 0.28 H new ATOM 0 HB3 TYR A 46 0.497 -16.593 -6.064 1.00 0.28 H new ATOM 0 HD1 TYR A 46 0.647 -12.897 -5.423 1.00 0.34 H new ATOM 0 HD2 TYR A 46 1.453 -16.778 -3.858 1.00 0.40 H new ATOM 0 HE1 TYR A 46 1.712 -11.896 -3.481 1.00 0.44 H new ATOM 0 HE2 TYR A 46 2.527 -15.756 -1.920 1.00 0.50 H new ATOM 0 HH TYR A 46 3.111 -13.892 -0.866 1.00 0.64 H new ATOM 778 N LYS A 50 1.619 -19.063 -12.226 1.00 0.05 N ATOM 779 CA LYS A 50 0.644 -18.204 -12.933 1.00 0.18 C ATOM 780 C LYS A 50 -0.784 -18.727 -12.921 1.00 0.24 C ATOM 781 O LYS A 50 -1.124 -19.666 -13.611 1.00 0.36 O ATOM 782 CB LYS A 50 1.093 -18.055 -14.382 1.00 0.17 C ATOM 783 CG LYS A 50 0.782 -16.629 -14.822 1.00 0.07 C ATOM 784 CD LYS A 50 0.837 -16.551 -16.348 1.00 0.37 C ATOM 785 CE LYS A 50 1.330 -15.165 -16.756 1.00 0.89 C ATOM 786 NZ LYS A 50 2.760 -14.987 -16.376 1.00 1.26 N ATOM 0 HA LYS A 50 0.627 -17.254 -12.399 1.00 0.18 H new ATOM 0 HB2 LYS A 50 2.160 -18.259 -14.474 1.00 0.17 H new ATOM 0 HB3 LYS A 50 0.575 -18.773 -15.018 1.00 0.17 H new ATOM 0 HG2 LYS A 50 -0.205 -16.333 -14.466 1.00 0.07 H new ATOM 0 HG3 LYS A 50 1.500 -15.936 -14.384 1.00 0.07 H new ATOM 0 HD2 LYS A 50 1.504 -17.319 -16.741 1.00 0.37 H new ATOM 0 HD3 LYS A 50 -0.150 -16.739 -16.771 1.00 0.37 H new ATOM 0 HE2 LYS A 50 1.214 -15.034 -17.832 1.00 0.89 H new ATOM 0 HE3 LYS A 50 0.722 -14.400 -16.274 1.00 0.89 H new ATOM 0 HZ1 LYS A 50 2.848 -14.185 -15.719 1.00 1.26 H new ATOM 0 HZ2 LYS A 50 3.107 -15.852 -15.914 1.00 1.26 H new ATOM 0 HZ3 LYS A 50 3.325 -14.799 -17.229 1.00 1.26 H new ATOM 800 N GLN A 51 -1.565 -18.086 -12.102 1.00 0.24 N ATOM 801 CA GLN A 51 -3.007 -18.431 -11.944 1.00 0.25 C ATOM 802 C GLN A 51 -3.291 -19.679 -11.130 1.00 0.17 C ATOM 803 O GLN A 51 -3.783 -20.663 -11.646 1.00 0.42 O ATOM 804 CB GLN A 51 -3.664 -18.588 -13.324 1.00 0.44 C ATOM 805 CG GLN A 51 -3.216 -17.449 -14.242 1.00 0.56 C ATOM 806 CD GLN A 51 -4.352 -17.104 -15.210 1.00 0.96 C ATOM 807 OE1 GLN A 51 -4.233 -17.265 -16.409 1.00 0.84 O ATOM 808 NE2 GLN A 51 -5.472 -16.629 -14.732 1.00 1.56 N ATOM 0 H GLN A 51 -1.255 -17.311 -11.515 1.00 0.24 H new ATOM 0 HA GLN A 51 -3.430 -17.598 -11.383 1.00 0.25 H new ATOM 0 HB2 GLN A 51 -3.390 -19.549 -13.760 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -4.749 -18.581 -13.223 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -2.948 -16.574 -13.651 1.00 0.56 H new ATOM 0 HG3 GLN A 51 -2.326 -17.743 -14.798 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -5.580 -16.491 -13.727 1.00 1.56 H new ATOM 0 HE22 GLN A 51 -6.238 -16.396 -15.364 1.00 1.56 H new ATOM 817 N LEU A 52 -2.981 -19.616 -9.871 1.00 0.10 N ATOM 818 CA LEU A 52 -3.236 -20.786 -9.003 1.00 0.25 C ATOM 819 C LEU A 52 -4.630 -20.570 -8.407 1.00 0.26 C ATOM 820 O LEU A 52 -5.521 -20.169 -9.130 1.00 0.54 O ATOM 821 CB LEU A 52 -2.165 -20.830 -7.892 1.00 0.40 C ATOM 822 CG LEU A 52 -0.742 -21.174 -8.442 1.00 0.34 C ATOM 823 CD1 LEU A 52 -0.054 -22.159 -7.483 1.00 0.53 C ATOM 824 CD2 LEU A 52 -0.755 -21.808 -9.843 1.00 0.29 C ATOM 0 H LEU A 52 -2.564 -18.808 -9.409 1.00 0.10 H new ATOM 0 HA LEU A 52 -3.190 -21.729 -9.548 1.00 0.25 H new ATOM 0 HB2 LEU A 52 -2.132 -19.865 -7.386 1.00 0.40 H new ATOM 0 HB3 LEU A 52 -2.451 -21.571 -7.146 1.00 0.40 H new ATOM 0 HG LEU A 52 -0.207 -20.227 -8.515 1.00 0.34 H new ATOM 0 HD11 LEU A 52 0.939 -22.402 -7.862 1.00 0.53 H new ATOM 0 HD12 LEU A 52 0.035 -21.704 -6.497 1.00 0.53 H new ATOM 0 HD13 LEU A 52 -0.648 -23.070 -7.410 1.00 0.53 H new ATOM 0 HD21 LEU A 52 0.267 -22.018 -10.157 1.00 0.29 H new ATOM 0 HD22 LEU A 52 -1.325 -22.737 -9.817 1.00 0.29 H new ATOM 0 HD23 LEU A 52 -1.217 -21.119 -10.550 1.00 0.29 H new ATOM 836 N TRP A 53 -4.822 -20.820 -7.133 1.00 0.11 N ATOM 837 CA TRP A 53 -6.195 -20.599 -6.574 1.00 0.09 C ATOM 838 C TRP A 53 -6.195 -20.023 -5.181 1.00 0.07 C ATOM 839 O TRP A 53 -5.322 -20.301 -4.392 1.00 0.05 O ATOM 840 CB TRP A 53 -6.930 -21.928 -6.468 1.00 0.19 C ATOM 841 CG TRP A 53 -7.405 -22.315 -7.841 1.00 0.31 C ATOM 842 CD1 TRP A 53 -6.869 -23.310 -8.522 1.00 0.48 C ATOM 843 CD2 TRP A 53 -8.320 -21.676 -8.565 1.00 0.30 C ATOM 844 NE1 TRP A 53 -7.493 -23.256 -9.700 1.00 0.49 N ATOM 845 CE2 TRP A 53 -8.415 -22.259 -9.817 1.00 0.35 C ATOM 846 CE3 TRP A 53 -9.073 -20.552 -8.267 1.00 0.37 C ATOM 847 CZ2 TRP A 53 -9.259 -21.714 -10.762 1.00 0.33 C ATOM 848 CZ3 TRP A 53 -9.904 -20.012 -9.226 1.00 0.42 C ATOM 849 CH2 TRP A 53 -9.993 -20.593 -10.471 1.00 0.34 C ATOM 0 H TRP A 53 -4.117 -21.155 -6.476 1.00 0.11 H new ATOM 0 HA TRP A 53 -6.672 -19.896 -7.257 1.00 0.09 H new ATOM 0 HB2 TRP A 53 -6.270 -22.696 -6.064 1.00 0.19 H new ATOM 0 HB3 TRP A 53 -7.775 -21.842 -5.784 1.00 0.19 H new ATOM 0 HD1 TRP A 53 -6.106 -24.004 -8.202 1.00 0.48 H new ATOM 0 HE1 TRP A 53 -7.295 -23.911 -10.456 1.00 0.49 H new ATOM 0 HE3 TRP A 53 -9.010 -20.101 -7.288 1.00 0.37 H new ATOM 0 HZ2 TRP A 53 -9.342 -22.173 -11.736 1.00 0.33 H new ATOM 0 HZ3 TRP A 53 -10.486 -19.131 -9.000 1.00 0.42 H new ATOM 0 HH2 TRP A 53 -10.642 -20.165 -11.220 1.00 0.34 H new ATOM 860 N PHE A 54 -7.160 -19.182 -4.920 1.00 0.10 N ATOM 861 CA PHE A 54 -7.240 -18.582 -3.571 1.00 0.12 C ATOM 862 C PHE A 54 -8.726 -18.460 -3.161 1.00 0.14 C ATOM 863 O PHE A 54 -9.521 -17.924 -3.897 1.00 0.16 O ATOM 864 CB PHE A 54 -6.613 -17.176 -3.523 1.00 0.12 C ATOM 865 CG PHE A 54 -6.008 -16.774 -4.844 1.00 0.11 C ATOM 866 CD1 PHE A 54 -4.937 -17.461 -5.352 1.00 0.09 C ATOM 867 CD2 PHE A 54 -6.528 -15.709 -5.542 1.00 0.14 C ATOM 868 CE1 PHE A 54 -4.397 -17.104 -6.551 1.00 0.11 C ATOM 869 CE2 PHE A 54 -5.996 -15.346 -6.729 1.00 0.16 C ATOM 870 CZ PHE A 54 -4.918 -16.051 -7.249 1.00 0.15 C ATOM 0 H PHE A 54 -7.884 -18.892 -5.577 1.00 0.10 H new ATOM 0 HA PHE A 54 -6.688 -19.230 -2.890 1.00 0.12 H new ATOM 0 HB2 PHE A 54 -7.375 -16.450 -3.239 1.00 0.12 H new ATOM 0 HB3 PHE A 54 -5.844 -17.150 -2.751 1.00 0.12 H new ATOM 0 HD1 PHE A 54 -4.519 -18.289 -4.800 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -7.366 -15.160 -5.139 1.00 0.14 H new ATOM 0 HE1 PHE A 54 -3.557 -17.653 -6.950 1.00 0.11 H new ATOM 0 HE2 PHE A 54 -6.408 -14.509 -7.273 1.00 0.16 H new ATOM 0 HZ PHE A 54 -4.493 -15.768 -8.201 1.00 0.15 H new ATOM 880 N PRO A 55 -9.076 -18.955 -1.996 1.00 0.15 N ATOM 881 CA PRO A 55 -10.470 -18.896 -1.500 1.00 0.18 C ATOM 882 C PRO A 55 -11.105 -17.511 -1.485 1.00 0.23 C ATOM 883 O PRO A 55 -10.441 -16.508 -1.322 1.00 0.32 O ATOM 884 CB PRO A 55 -10.359 -19.314 -0.048 1.00 0.18 C ATOM 885 CG PRO A 55 -8.955 -19.958 0.154 1.00 0.17 C ATOM 886 CD PRO A 55 -8.130 -19.598 -1.062 1.00 0.14 C ATOM 0 HA PRO A 55 -11.088 -19.510 -2.155 1.00 0.18 H new ATOM 0 HB2 PRO A 55 -10.483 -18.453 0.608 1.00 0.18 H new ATOM 0 HB3 PRO A 55 -11.146 -20.024 0.207 1.00 0.18 H new ATOM 0 HG2 PRO A 55 -8.486 -19.584 1.064 1.00 0.17 H new ATOM 0 HG3 PRO A 55 -9.037 -21.040 0.259 1.00 0.17 H new ATOM 0 HD2 PRO A 55 -7.316 -18.923 -0.799 1.00 0.14 H new ATOM 0 HD3 PRO A 55 -7.678 -20.484 -1.507 1.00 0.14 H new ATOM 894 N SER A 56 -12.401 -17.506 -1.645 1.00 0.20 N ATOM 895 CA SER A 56 -13.156 -16.233 -1.639 1.00 0.25 C ATOM 896 C SER A 56 -13.441 -15.998 -0.175 1.00 0.27 C ATOM 897 O SER A 56 -14.079 -15.047 0.232 1.00 0.39 O ATOM 898 CB SER A 56 -14.498 -16.422 -2.366 1.00 0.30 C ATOM 899 OG SER A 56 -15.456 -15.862 -1.480 1.00 1.65 O ATOM 0 H SER A 56 -12.969 -18.342 -1.781 1.00 0.20 H new ATOM 0 HA SER A 56 -12.615 -15.420 -2.123 1.00 0.25 H new ATOM 0 HB2 SER A 56 -14.503 -15.915 -3.331 1.00 0.30 H new ATOM 0 HB3 SER A 56 -14.702 -17.475 -2.559 1.00 0.30 H new ATOM 0 HG SER A 56 -15.113 -15.018 -1.119 1.00 1.65 H new ATOM 905 N ASN A 57 -12.908 -16.925 0.581 1.00 0.21 N ATOM 906 CA ASN A 57 -13.048 -16.916 2.033 1.00 0.22 C ATOM 907 C ASN A 57 -11.759 -16.377 2.596 1.00 0.19 C ATOM 908 O ASN A 57 -11.671 -16.027 3.757 1.00 0.20 O ATOM 909 CB ASN A 57 -13.230 -18.381 2.486 1.00 0.25 C ATOM 910 CG ASN A 57 -14.691 -18.607 2.884 1.00 0.26 C ATOM 911 OD1 ASN A 57 -15.304 -19.587 2.508 1.00 1.51 O ATOM 912 ND2 ASN A 57 -15.285 -17.725 3.641 1.00 1.12 N ATOM 0 H ASN A 57 -12.365 -17.709 0.218 1.00 0.21 H new ATOM 0 HA ASN A 57 -13.892 -16.312 2.365 1.00 0.22 H new ATOM 0 HB2 ASN A 57 -12.951 -19.061 1.681 1.00 0.25 H new ATOM 0 HB3 ASN A 57 -12.573 -18.598 3.328 1.00 0.25 H new ATOM 0 HD21 ASN A 57 -16.258 -17.860 3.914 1.00 1.12 H new ATOM 0 HD22 ASN A 57 -14.776 -16.901 3.960 1.00 1.12 H new ATOM 919 N TYR A 58 -10.778 -16.323 1.725 1.00 0.20 N ATOM 920 CA TYR A 58 -9.456 -15.813 2.144 1.00 0.16 C ATOM 921 C TYR A 58 -9.112 -14.478 1.470 1.00 0.24 C ATOM 922 O TYR A 58 -8.528 -13.615 2.096 1.00 0.87 O ATOM 923 CB TYR A 58 -8.373 -16.851 1.800 1.00 0.16 C ATOM 924 CG TYR A 58 -8.279 -17.903 2.934 1.00 0.20 C ATOM 925 CD1 TYR A 58 -9.305 -18.831 3.184 1.00 0.23 C ATOM 926 CD2 TYR A 58 -7.177 -17.900 3.772 1.00 0.23 C ATOM 927 CE1 TYR A 58 -9.212 -19.701 4.252 1.00 0.28 C ATOM 928 CE2 TYR A 58 -7.101 -18.782 4.838 1.00 0.28 C ATOM 929 CZ TYR A 58 -8.113 -19.684 5.082 1.00 0.31 C ATOM 930 OH TYR A 58 -8.028 -20.563 6.145 1.00 0.37 O ATOM 0 H TYR A 58 -10.846 -16.611 0.749 1.00 0.20 H new ATOM 0 HA TYR A 58 -9.494 -15.643 3.220 1.00 0.16 H new ATOM 0 HB2 TYR A 58 -8.612 -17.340 0.856 1.00 0.16 H new ATOM 0 HB3 TYR A 58 -7.410 -16.357 1.669 1.00 0.16 H new ATOM 0 HD1 TYR A 58 -10.170 -18.864 2.538 1.00 0.23 H new ATOM 0 HD2 TYR A 58 -6.370 -17.205 3.593 1.00 0.23 H new ATOM 0 HE1 TYR A 58 -10.011 -20.403 4.439 1.00 0.28 H new ATOM 0 HE2 TYR A 58 -6.237 -18.762 5.486 1.00 0.28 H new ATOM 0 HH TYR A 58 -7.187 -20.415 6.625 1.00 0.37 H new ATOM 940 N VAL A 59 -9.473 -14.327 0.214 1.00 0.40 N ATOM 941 CA VAL A 59 -9.164 -13.048 -0.494 1.00 0.27 C ATOM 942 C VAL A 59 -10.426 -12.260 -0.842 1.00 0.56 C ATOM 943 O VAL A 59 -11.533 -12.673 -0.555 1.00 0.85 O ATOM 944 CB VAL A 59 -8.463 -13.380 -1.812 1.00 0.52 C ATOM 945 CG1 VAL A 59 -7.378 -14.421 -1.542 1.00 0.61 C ATOM 946 CG2 VAL A 59 -9.490 -13.905 -2.844 1.00 0.79 C ATOM 0 H VAL A 59 -9.962 -15.028 -0.343 1.00 0.40 H new ATOM 0 HA VAL A 59 -8.544 -12.446 0.171 1.00 0.27 H new ATOM 0 HB VAL A 59 -8.003 -12.483 -2.227 1.00 0.52 H new ATOM 0 HG11 VAL A 59 -6.870 -14.667 -2.474 1.00 0.61 H new ATOM 0 HG12 VAL A 59 -6.657 -14.019 -0.831 1.00 0.61 H new ATOM 0 HG13 VAL A 59 -7.832 -15.321 -1.128 1.00 0.61 H new ATOM 0 HG21 VAL A 59 -8.980 -14.138 -3.779 1.00 0.79 H new ATOM 0 HG22 VAL A 59 -9.967 -14.805 -2.457 1.00 0.79 H new ATOM 0 HG23 VAL A 59 -10.247 -13.142 -3.024 1.00 0.79 H new ATOM 956 N GLU A 60 -10.209 -11.132 -1.458 1.00 0.54 N ATOM 957 CA GLU A 60 -11.336 -10.250 -1.867 1.00 0.89 C ATOM 958 C GLU A 60 -10.776 -9.064 -2.642 1.00 0.74 C ATOM 959 O GLU A 60 -9.753 -8.524 -2.276 1.00 0.61 O ATOM 960 CB GLU A 60 -12.046 -9.733 -0.608 1.00 1.18 C ATOM 961 CG GLU A 60 -13.475 -10.282 -0.563 1.00 1.57 C ATOM 962 CD GLU A 60 -14.332 -9.568 -1.612 1.00 3.68 C ATOM 963 OE1 GLU A 60 -13.756 -9.189 -2.617 1.00 5.10 O ATOM 964 OE2 GLU A 60 -15.518 -9.446 -1.346 1.00 4.14 O ATOM 0 H GLU A 60 -9.283 -10.779 -1.699 1.00 0.54 H new ATOM 0 HA GLU A 60 -12.039 -10.805 -2.489 1.00 0.89 H new ATOM 0 HB2 GLU A 60 -11.499 -10.041 0.283 1.00 1.18 H new ATOM 0 HB3 GLU A 60 -12.064 -8.643 -0.610 1.00 1.18 H new ATOM 0 HG2 GLU A 60 -13.469 -11.355 -0.753 1.00 1.57 H new ATOM 0 HG3 GLU A 60 -13.901 -10.136 0.430 1.00 1.57 H new