USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 590 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.793 USER MOD Single : A 13 MET CE :methyl -165:sc= 0 (180deg=-0.298) USER MOD Single : A 17 ASN : amide:sc= -4.54! C(o=-4.5!,f=-6.8!) USER MOD Single : A 18 SER OG : rot -116:sc= 0.715 USER MOD Single : A 22 SER OG : rot 180:sc= -0.504 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.94! C(o=-3.9!,f=-2.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -0.0237 (180deg=-0.26) USER MOD Single : A 46 MET CE :methyl -142:sc= -6.48! (180deg=-13.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.373 K(o=-0.37,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -3.352 8.961 -15.247 1.00 0.00 N ATOM 2 CA SER A 2 -3.890 8.512 -13.933 1.00 0.00 C ATOM 3 C SER A 2 -3.230 9.317 -12.812 1.00 0.00 C ATOM 4 O SER A 2 -2.036 9.543 -12.816 1.00 0.00 O ATOM 5 CB SER A 2 -3.592 7.026 -13.739 1.00 0.00 C ATOM 6 OG SER A 2 -4.716 6.398 -13.135 1.00 0.00 O ATOM 0 HA SER A 2 -4.968 8.670 -13.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.372 6.559 -14.699 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.709 6.899 -13.112 1.00 0.00 H new ATOM 0 HG SER A 2 -4.530 5.444 -13.010 1.00 0.00 H new ATOM 12 N ASP A 3 -3.999 9.750 -11.852 1.00 0.00 N ATOM 13 CA ASP A 3 -3.419 10.541 -10.731 1.00 0.00 C ATOM 14 C ASP A 3 -2.765 9.596 -9.721 1.00 0.00 C ATOM 15 O ASP A 3 -1.560 9.574 -9.568 1.00 0.00 O ATOM 16 CB ASP A 3 -4.528 11.336 -10.040 1.00 0.00 C ATOM 17 CG ASP A 3 -4.510 12.781 -10.540 1.00 0.00 C ATOM 18 OD1 ASP A 3 -3.467 13.212 -11.003 1.00 0.00 O ATOM 19 OD2 ASP A 3 -5.538 13.431 -10.452 1.00 0.00 O ATOM 0 H ASP A 3 -5.005 9.590 -11.795 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.669 11.228 -11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.497 10.881 -10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.387 11.313 -8.959 1.00 0.00 H new ATOM 24 N LYS A 4 -3.550 8.816 -9.029 1.00 0.00 N ATOM 25 CA LYS A 4 -2.972 7.875 -8.028 1.00 0.00 C ATOM 26 C LYS A 4 -2.023 6.895 -8.733 1.00 0.00 C ATOM 27 O LYS A 4 -2.414 6.231 -9.672 1.00 0.00 O ATOM 28 CB LYS A 4 -4.105 7.093 -7.359 1.00 0.00 C ATOM 29 CG LYS A 4 -3.583 6.417 -6.089 1.00 0.00 C ATOM 30 CD LYS A 4 -4.252 7.043 -4.863 1.00 0.00 C ATOM 31 CE LYS A 4 -5.529 6.270 -4.525 1.00 0.00 C ATOM 32 NZ LYS A 4 -5.273 5.372 -3.363 1.00 0.00 N ATOM 0 H LYS A 4 -4.566 8.790 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.419 8.437 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.928 7.764 -7.114 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.499 6.344 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.790 5.347 -6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.501 6.530 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.568 7.025 -4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.489 8.089 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.336 6.964 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.852 5.685 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.140 4.846 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.515 4.701 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.985 5.941 -2.542 1.00 0.00 H new ATOM 46 N PRO A 5 -0.801 6.828 -8.258 1.00 0.00 N ATOM 47 CA PRO A 5 0.221 5.934 -8.825 1.00 0.00 C ATOM 48 C PRO A 5 0.010 4.488 -8.389 1.00 0.00 C ATOM 49 O PRO A 5 -0.710 4.202 -7.454 1.00 0.00 O ATOM 50 CB PRO A 5 1.528 6.470 -8.278 1.00 0.00 C ATOM 51 CG PRO A 5 1.169 7.274 -7.021 1.00 0.00 C ATOM 52 CD PRO A 5 -0.324 7.631 -7.122 1.00 0.00 C ATOM 0 HA PRO A 5 0.189 5.920 -9.914 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.212 5.656 -8.037 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.028 7.100 -9.013 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.365 6.690 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.777 8.176 -6.954 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.858 7.383 -6.205 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.469 8.697 -7.297 1.00 0.00 H new ATOM 60 N LYS A 6 0.646 3.575 -9.065 1.00 0.00 N ATOM 61 CA LYS A 6 0.503 2.139 -8.701 1.00 0.00 C ATOM 62 C LYS A 6 1.166 1.897 -7.344 1.00 0.00 C ATOM 63 O LYS A 6 2.366 2.015 -7.198 1.00 0.00 O ATOM 64 CB LYS A 6 1.174 1.283 -9.766 1.00 0.00 C ATOM 65 CG LYS A 6 2.602 1.777 -10.003 1.00 0.00 C ATOM 66 CD LYS A 6 3.551 0.579 -10.078 1.00 0.00 C ATOM 67 CE LYS A 6 3.276 -0.209 -11.361 1.00 0.00 C ATOM 68 NZ LYS A 6 4.261 -1.323 -11.480 1.00 0.00 N ATOM 0 H LYS A 6 1.261 3.762 -9.857 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.552 1.873 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.188 0.239 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.605 1.329 -10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.651 2.351 -10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.906 2.445 -9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.586 0.920 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.414 -0.063 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.261 -0.606 -11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.348 0.449 -12.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.075 -1.859 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.224 -0.933 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.171 -1.955 -10.659 1.00 0.00 H new ATOM 82 N ARG A 7 0.390 1.573 -6.349 1.00 0.00 N ATOM 83 CA ARG A 7 0.968 1.339 -4.996 1.00 0.00 C ATOM 84 C ARG A 7 1.857 0.087 -5.001 1.00 0.00 C ATOM 85 O ARG A 7 1.608 -0.849 -5.733 1.00 0.00 O ATOM 86 CB ARG A 7 -0.168 1.145 -3.991 1.00 0.00 C ATOM 87 CG ARG A 7 -0.977 -0.095 -4.376 1.00 0.00 C ATOM 88 CD ARG A 7 -1.948 -0.447 -3.248 1.00 0.00 C ATOM 89 NE ARG A 7 -3.334 -0.514 -3.791 1.00 0.00 N ATOM 90 CZ ARG A 7 -4.217 -1.291 -3.228 1.00 0.00 C ATOM 91 NH1 ARG A 7 -4.076 -1.641 -1.978 1.00 0.00 N ATOM 92 NH2 ARG A 7 -5.242 -1.717 -3.914 1.00 0.00 N ATOM 0 H ARG A 7 -0.622 1.460 -6.414 1.00 0.00 H new ATOM 0 HA ARG A 7 1.574 2.201 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.236 1.032 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.812 2.024 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.528 0.090 -5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.307 -0.933 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.674 -1.403 -2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.891 0.301 -2.457 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.592 0.048 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.275 -1.307 -1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.767 -2.249 -1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.352 -1.442 -4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.933 -2.325 -3.474 1.00 0.00 H new ATOM 106 N PRO A 8 2.864 0.113 -4.160 1.00 0.00 N ATOM 107 CA PRO A 8 3.815 -1.003 -4.008 1.00 0.00 C ATOM 108 C PRO A 8 3.155 -2.167 -3.269 1.00 0.00 C ATOM 109 O PRO A 8 2.182 -1.998 -2.560 1.00 0.00 O ATOM 110 CB PRO A 8 4.957 -0.396 -3.183 1.00 0.00 C ATOM 111 CG PRO A 8 4.353 0.822 -2.445 1.00 0.00 C ATOM 112 CD PRO A 8 3.142 1.264 -3.282 1.00 0.00 C ATOM 0 HA PRO A 8 4.159 -1.408 -4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.355 -1.123 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.783 -0.092 -3.826 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.051 0.555 -1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.083 1.627 -2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.286 1.497 -2.649 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.365 2.161 -3.861 1.00 0.00 H new ATOM 120 N LEU A 9 3.675 -3.346 -3.439 1.00 0.00 N ATOM 121 CA LEU A 9 3.083 -4.533 -2.761 1.00 0.00 C ATOM 122 C LEU A 9 4.144 -5.597 -2.550 1.00 0.00 C ATOM 123 O LEU A 9 5.331 -5.366 -2.671 1.00 0.00 O ATOM 124 CB LEU A 9 1.939 -5.106 -3.603 1.00 0.00 C ATOM 125 CG LEU A 9 2.511 -5.910 -4.765 1.00 0.00 C ATOM 126 CD1 LEU A 9 1.402 -6.213 -5.767 1.00 0.00 C ATOM 127 CD2 LEU A 9 3.606 -5.084 -5.429 1.00 0.00 C ATOM 0 H LEU A 9 4.489 -3.542 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 9 2.692 -4.221 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.303 -5.741 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.312 -4.298 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 9 2.926 -6.852 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.810 -6.788 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.617 -6.790 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.985 -5.278 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.028 -5.643 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.184 -4.148 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.390 -4.869 -4.703 1.00 0.00 H new ATOM 139 N SER A 10 3.700 -6.757 -2.211 1.00 0.00 N ATOM 140 CA SER A 10 4.638 -7.885 -1.950 1.00 0.00 C ATOM 141 C SER A 10 4.891 -8.690 -3.228 1.00 0.00 C ATOM 142 O SER A 10 4.073 -8.745 -4.133 1.00 0.00 O ATOM 143 CB SER A 10 4.040 -8.803 -0.883 1.00 0.00 C ATOM 144 OG SER A 10 2.851 -8.216 -0.371 1.00 0.00 O ATOM 0 H SER A 10 2.712 -6.986 -2.099 1.00 0.00 H new ATOM 0 HA SER A 10 5.587 -7.476 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.821 -9.782 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.758 -8.960 -0.078 1.00 0.00 H new ATOM 0 HG SER A 10 2.464 -8.803 0.312 1.00 0.00 H new ATOM 150 N ALA A 11 6.028 -9.329 -3.296 1.00 0.00 N ATOM 151 CA ALA A 11 6.362 -10.149 -4.490 1.00 0.00 C ATOM 152 C ALA A 11 5.323 -11.259 -4.632 1.00 0.00 C ATOM 153 O ALA A 11 4.967 -11.658 -5.723 1.00 0.00 O ATOM 154 CB ALA A 11 7.748 -10.767 -4.306 1.00 0.00 C ATOM 0 H ALA A 11 6.743 -9.316 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 11 6.360 -9.525 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.997 -11.369 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.487 -9.974 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.750 -11.399 -3.418 1.00 0.00 H new ATOM 160 N TYR A 12 4.826 -11.755 -3.531 1.00 0.00 N ATOM 161 CA TYR A 12 3.805 -12.826 -3.588 1.00 0.00 C ATOM 162 C TYR A 12 2.588 -12.303 -4.351 1.00 0.00 C ATOM 163 O TYR A 12 1.890 -13.043 -5.014 1.00 0.00 O ATOM 164 CB TYR A 12 3.415 -13.189 -2.158 1.00 0.00 C ATOM 165 CG TYR A 12 2.142 -13.996 -2.171 1.00 0.00 C ATOM 166 CD1 TYR A 12 2.067 -15.161 -2.940 1.00 0.00 C ATOM 167 CD2 TYR A 12 1.038 -13.579 -1.420 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.890 -15.913 -2.958 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.142 -14.330 -1.438 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.216 -15.498 -2.207 1.00 0.00 C ATOM 171 OH TYR A 12 -1.381 -16.239 -2.226 1.00 0.00 O ATOM 0 H TYR A 12 5.089 -11.459 -2.591 1.00 0.00 H new ATOM 0 HA TYR A 12 4.192 -13.709 -4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 12 4.215 -13.760 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.278 -12.284 -1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.920 -15.480 -3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.097 -12.678 -0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.833 -16.814 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.995 -14.009 -0.859 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.049 -15.813 -1.650 1.00 0.00 H new ATOM 181 N MET A 13 2.337 -11.025 -4.264 1.00 0.00 N ATOM 182 CA MET A 13 1.179 -10.443 -4.984 1.00 0.00 C ATOM 183 C MET A 13 1.469 -10.443 -6.484 1.00 0.00 C ATOM 184 O MET A 13 0.653 -10.865 -7.280 1.00 0.00 O ATOM 185 CB MET A 13 0.960 -9.009 -4.503 1.00 0.00 C ATOM 186 CG MET A 13 0.999 -8.964 -2.972 1.00 0.00 C ATOM 187 SD MET A 13 -0.048 -10.276 -2.292 1.00 0.00 S ATOM 188 CE MET A 13 -1.645 -9.537 -2.714 1.00 0.00 C ATOM 0 H MET A 13 2.889 -10.360 -3.722 1.00 0.00 H new ATOM 0 HA MET A 13 0.284 -11.033 -4.788 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.729 -8.356 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.000 -8.637 -4.863 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.024 -9.086 -2.622 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.655 -7.992 -2.619 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.437 -10.040 -2.159 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.636 -8.478 -2.454 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.826 -9.647 -3.783 1.00 0.00 H new ATOM 198 N LEU A 14 2.626 -9.981 -6.881 1.00 0.00 N ATOM 199 CA LEU A 14 2.944 -9.973 -8.341 1.00 0.00 C ATOM 200 C LEU A 14 2.632 -11.349 -8.921 1.00 0.00 C ATOM 201 O LEU A 14 1.968 -11.478 -9.930 1.00 0.00 O ATOM 202 CB LEU A 14 4.428 -9.666 -8.574 1.00 0.00 C ATOM 203 CG LEU A 14 4.926 -8.648 -7.546 1.00 0.00 C ATOM 204 CD1 LEU A 14 6.301 -8.122 -7.970 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.943 -7.482 -7.477 1.00 0.00 C ATOM 0 H LEU A 14 3.355 -9.614 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 14 2.344 -9.203 -8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.012 -10.583 -8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.572 -9.276 -9.582 1.00 0.00 H new ATOM 0 HG LEU A 14 5.004 -9.126 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.655 -7.397 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.006 -8.952 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.222 -7.643 -8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.293 -6.754 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.872 -7.008 -8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.961 -7.851 -7.180 1.00 0.00 H new ATOM 217 N TRP A 15 3.110 -12.382 -8.285 1.00 0.00 N ATOM 218 CA TRP A 15 2.851 -13.758 -8.788 1.00 0.00 C ATOM 219 C TRP A 15 1.342 -13.993 -8.881 1.00 0.00 C ATOM 220 O TRP A 15 0.835 -14.441 -9.890 1.00 0.00 O ATOM 221 CB TRP A 15 3.471 -14.767 -7.820 1.00 0.00 C ATOM 222 CG TRP A 15 3.124 -16.152 -8.256 1.00 0.00 C ATOM 223 CD1 TRP A 15 3.727 -16.822 -9.263 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.108 -17.046 -7.717 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.144 -18.071 -9.378 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.141 -18.256 -8.447 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.172 -16.922 -6.675 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.272 -19.309 -8.153 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.297 -17.978 -6.377 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.346 -19.170 -7.115 1.00 0.00 C ATOM 0 H TRP A 15 3.671 -12.331 -7.435 1.00 0.00 H new ATOM 0 HA TRP A 15 3.293 -13.879 -9.777 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.554 -14.643 -7.793 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.104 -14.590 -6.809 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.531 -16.444 -9.877 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.421 -18.770 -10.067 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.126 -16.009 -6.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.315 -20.225 -8.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.418 -17.872 -5.575 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.330 -19.979 -6.882 1.00 0.00 H new ATOM 241 N LEU A 16 0.621 -13.695 -7.835 1.00 0.00 N ATOM 242 CA LEU A 16 -0.854 -13.902 -7.860 1.00 0.00 C ATOM 243 C LEU A 16 -1.465 -13.139 -9.038 1.00 0.00 C ATOM 244 O LEU A 16 -2.505 -13.501 -9.551 1.00 0.00 O ATOM 245 CB LEU A 16 -1.455 -13.386 -6.551 1.00 0.00 C ATOM 246 CG LEU A 16 -0.868 -14.173 -5.379 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.076 -13.388 -4.082 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.572 -15.527 -5.274 1.00 0.00 C ATOM 0 H LEU A 16 0.991 -13.317 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.070 -14.964 -7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.241 -12.324 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.540 -13.493 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 16 0.199 -14.328 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.658 -13.949 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.576 -12.422 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.142 -13.233 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.155 -16.090 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.638 -15.371 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.425 -16.086 -6.198 1.00 0.00 H new ATOM 260 N ASN A 17 -0.830 -12.083 -9.469 1.00 0.00 N ATOM 261 CA ASN A 17 -1.374 -11.300 -10.609 1.00 0.00 C ATOM 262 C ASN A 17 -1.022 -11.991 -11.927 1.00 0.00 C ATOM 263 O ASN A 17 -1.789 -11.978 -12.869 1.00 0.00 O ATOM 264 CB ASN A 17 -0.768 -9.908 -10.589 1.00 0.00 C ATOM 265 CG ASN A 17 -0.665 -9.411 -9.146 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.353 -9.900 -8.272 1.00 0.00 O ATOM 267 ND2 ASN A 17 0.171 -8.452 -8.856 1.00 0.00 N ATOM 0 H ASN A 17 0.044 -11.730 -9.078 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.458 -11.233 -10.520 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.220 -9.924 -11.050 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.382 -9.225 -11.176 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.246 -8.114 -7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.749 -8.041 -9.589 1.00 0.00 H new ATOM 274 N SER A 18 0.131 -12.594 -12.000 1.00 0.00 N ATOM 275 CA SER A 18 0.533 -13.287 -13.255 1.00 0.00 C ATOM 276 C SER A 18 0.000 -14.720 -13.246 1.00 0.00 C ATOM 277 O SER A 18 0.113 -15.439 -14.219 1.00 0.00 O ATOM 278 CB SER A 18 2.052 -13.316 -13.357 1.00 0.00 C ATOM 279 OG SER A 18 2.547 -14.454 -12.664 1.00 0.00 O ATOM 0 H SER A 18 0.814 -12.637 -11.243 1.00 0.00 H new ATOM 0 HA SER A 18 0.119 -12.751 -14.109 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.357 -13.351 -14.403 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.474 -12.405 -12.932 1.00 0.00 H new ATOM 0 HG SER A 18 3.101 -14.162 -11.910 1.00 0.00 H new ATOM 285 N ALA A 19 -0.577 -15.146 -12.155 1.00 0.00 N ATOM 286 CA ALA A 19 -1.108 -16.535 -12.094 1.00 0.00 C ATOM 287 C ALA A 19 -2.623 -16.503 -11.906 1.00 0.00 C ATOM 288 O ALA A 19 -3.275 -17.520 -11.938 1.00 0.00 O ATOM 289 CB ALA A 19 -0.476 -17.279 -10.914 1.00 0.00 C ATOM 0 H ALA A 19 -0.703 -14.593 -11.307 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.865 -17.047 -13.025 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.867 -18.295 -10.873 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.606 -17.312 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.716 -16.760 -9.986 1.00 0.00 H new ATOM 295 N ARG A 20 -3.194 -15.348 -11.702 1.00 0.00 N ATOM 296 CA ARG A 20 -4.670 -15.283 -11.504 1.00 0.00 C ATOM 297 C ARG A 20 -5.386 -15.810 -12.745 1.00 0.00 C ATOM 298 O ARG A 20 -6.376 -16.507 -12.649 1.00 0.00 O ATOM 299 CB ARG A 20 -5.094 -13.836 -11.241 1.00 0.00 C ATOM 300 CG ARG A 20 -5.621 -13.711 -9.811 1.00 0.00 C ATOM 301 CD ARG A 20 -6.188 -12.306 -9.597 1.00 0.00 C ATOM 302 NE ARG A 20 -6.853 -12.238 -8.263 1.00 0.00 N ATOM 303 CZ ARG A 20 -8.140 -12.436 -8.165 1.00 0.00 C ATOM 304 NH1 ARG A 20 -8.952 -11.899 -9.033 1.00 0.00 N ATOM 305 NH2 ARG A 20 -8.614 -13.171 -7.197 1.00 0.00 N ATOM 0 H ARG A 20 -2.707 -14.452 -11.664 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.940 -15.899 -10.647 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.247 -13.165 -11.388 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.865 -13.537 -11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.394 -14.458 -9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.819 -13.903 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.389 -11.567 -9.656 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.903 -12.066 -10.384 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.303 -12.037 -7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.582 -11.324 -9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.957 -12.054 -8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.979 -13.590 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.619 -13.326 -7.120 1.00 0.00 H new ATOM 319 N GLU A 21 -4.901 -15.491 -13.911 1.00 0.00 N ATOM 320 CA GLU A 21 -5.570 -15.987 -15.144 1.00 0.00 C ATOM 321 C GLU A 21 -5.246 -17.466 -15.336 1.00 0.00 C ATOM 322 O GLU A 21 -6.118 -18.280 -15.564 1.00 0.00 O ATOM 323 CB GLU A 21 -5.078 -15.191 -16.356 1.00 0.00 C ATOM 324 CG GLU A 21 -6.241 -14.955 -17.321 1.00 0.00 C ATOM 325 CD GLU A 21 -6.007 -13.658 -18.097 1.00 0.00 C ATOM 326 OE1 GLU A 21 -4.995 -13.022 -17.856 1.00 0.00 O ATOM 327 OE2 GLU A 21 -6.843 -13.324 -18.920 1.00 0.00 O ATOM 0 H GLU A 21 -4.075 -14.912 -14.063 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.648 -15.860 -15.047 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.661 -14.237 -16.033 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.278 -15.734 -16.860 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.330 -15.793 -18.012 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.179 -14.896 -16.769 1.00 0.00 H new ATOM 334 N SER A 22 -3.998 -17.821 -15.240 1.00 0.00 N ATOM 335 CA SER A 22 -3.618 -19.249 -15.411 1.00 0.00 C ATOM 336 C SER A 22 -4.081 -20.042 -14.188 1.00 0.00 C ATOM 337 O SER A 22 -4.012 -21.254 -14.163 1.00 0.00 O ATOM 338 CB SER A 22 -2.100 -19.362 -15.555 1.00 0.00 C ATOM 339 OG SER A 22 -1.476 -18.834 -14.392 1.00 0.00 O ATOM 0 H SER A 22 -3.224 -17.184 -15.050 1.00 0.00 H new ATOM 0 HA SER A 22 -4.092 -19.650 -16.307 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.813 -20.404 -15.694 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.766 -18.819 -16.439 1.00 0.00 H new ATOM 0 HG SER A 22 -0.503 -18.907 -14.481 1.00 0.00 H new ATOM 345 N ILE A 23 -4.566 -19.370 -13.177 1.00 0.00 N ATOM 346 CA ILE A 23 -5.043 -20.091 -11.966 1.00 0.00 C ATOM 347 C ILE A 23 -6.518 -20.443 -12.156 1.00 0.00 C ATOM 348 O ILE A 23 -6.933 -21.562 -11.928 1.00 0.00 O ATOM 349 CB ILE A 23 -4.866 -19.192 -10.731 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.453 -19.377 -10.170 1.00 0.00 C ATOM 351 CG2 ILE A 23 -5.883 -19.564 -9.647 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.187 -18.323 -9.094 1.00 0.00 C ATOM 0 H ILE A 23 -4.651 -18.354 -13.140 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.467 -21.004 -11.819 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.023 -18.155 -11.027 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.346 -20.377 -9.749 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.718 -19.288 -10.970 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.744 -18.918 -8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.893 -19.436 -10.036 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.737 -20.603 -9.352 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.181 -18.456 -8.695 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.276 -17.328 -9.530 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.914 -18.433 -8.289 1.00 0.00 H new ATOM 364 N LYS A 24 -7.315 -19.497 -12.565 1.00 0.00 N ATOM 365 CA LYS A 24 -8.751 -19.782 -12.756 1.00 0.00 C ATOM 366 C LYS A 24 -8.925 -20.799 -13.891 1.00 0.00 C ATOM 367 O LYS A 24 -9.922 -21.489 -13.974 1.00 0.00 O ATOM 368 CB LYS A 24 -9.457 -18.468 -13.084 1.00 0.00 C ATOM 369 CG LYS A 24 -9.367 -18.190 -14.580 1.00 0.00 C ATOM 370 CD LYS A 24 -9.422 -16.682 -14.825 1.00 0.00 C ATOM 371 CE LYS A 24 -10.881 -16.228 -14.897 1.00 0.00 C ATOM 372 NZ LYS A 24 -11.356 -16.308 -16.307 1.00 0.00 N ATOM 0 H LYS A 24 -7.028 -18.541 -12.774 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.186 -20.209 -11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.502 -18.520 -12.777 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.001 -17.651 -12.525 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.440 -18.600 -14.981 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.187 -18.684 -15.102 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.905 -16.154 -14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.907 -16.435 -15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.501 -16.856 -14.257 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.974 -15.207 -14.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.348 -16.000 -16.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.771 -15.691 -16.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.281 -17.289 -16.643 1.00 0.00 H new ATOM 386 N ARG A 25 -7.959 -20.895 -14.766 1.00 0.00 N ATOM 387 CA ARG A 25 -8.066 -21.861 -15.892 1.00 0.00 C ATOM 388 C ARG A 25 -7.441 -23.199 -15.484 1.00 0.00 C ATOM 389 O ARG A 25 -7.893 -24.253 -15.885 1.00 0.00 O ATOM 390 CB ARG A 25 -7.329 -21.304 -17.114 1.00 0.00 C ATOM 391 CG ARG A 25 -8.015 -20.019 -17.585 1.00 0.00 C ATOM 392 CD ARG A 25 -8.161 -20.033 -19.101 1.00 0.00 C ATOM 393 NE ARG A 25 -8.611 -21.381 -19.552 1.00 0.00 N ATOM 394 CZ ARG A 25 -8.502 -21.719 -20.808 1.00 0.00 C ATOM 395 NH1 ARG A 25 -9.038 -20.974 -21.735 1.00 0.00 N ATOM 396 NH2 ARG A 25 -7.856 -22.806 -21.135 1.00 0.00 N ATOM 0 H ARG A 25 -7.101 -20.344 -14.747 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.117 -22.014 -16.139 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.288 -21.101 -16.862 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.325 -22.042 -17.917 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.996 -19.928 -17.118 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.432 -19.151 -17.275 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.880 -19.276 -19.413 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.210 -19.781 -19.570 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.004 -22.039 -18.879 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.543 -20.126 -21.479 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.952 -21.240 -22.716 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.438 -23.389 -20.410 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.769 -23.072 -22.116 1.00 0.00 H new ATOM 410 N GLU A 26 -6.403 -23.165 -14.693 1.00 0.00 N ATOM 411 CA GLU A 26 -5.751 -24.434 -14.264 1.00 0.00 C ATOM 412 C GLU A 26 -6.463 -24.989 -13.027 1.00 0.00 C ATOM 413 O GLU A 26 -5.963 -25.868 -12.354 1.00 0.00 O ATOM 414 CB GLU A 26 -4.277 -24.166 -13.934 1.00 0.00 C ATOM 415 CG GLU A 26 -4.168 -23.471 -12.574 1.00 0.00 C ATOM 416 CD GLU A 26 -2.815 -22.767 -12.469 1.00 0.00 C ATOM 417 OE1 GLU A 26 -2.137 -22.674 -13.479 1.00 0.00 O ATOM 418 OE2 GLU A 26 -2.479 -22.329 -11.380 1.00 0.00 O ATOM 0 H GLU A 26 -5.979 -22.313 -14.326 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.815 -25.164 -15.071 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.722 -25.104 -13.919 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.829 -23.543 -14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.976 -22.749 -12.457 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.274 -24.201 -11.771 1.00 0.00 H new ATOM 425 N ASN A 27 -7.624 -24.482 -12.721 1.00 0.00 N ATOM 426 CA ASN A 27 -8.360 -24.982 -11.525 1.00 0.00 C ATOM 427 C ASN A 27 -9.757 -25.447 -11.935 1.00 0.00 C ATOM 428 O ASN A 27 -10.268 -25.049 -12.962 1.00 0.00 O ATOM 429 CB ASN A 27 -8.480 -23.859 -10.492 1.00 0.00 C ATOM 430 CG ASN A 27 -7.153 -23.703 -9.749 1.00 0.00 C ATOM 431 OD1 ASN A 27 -6.498 -24.679 -9.441 1.00 0.00 O ATOM 432 ND2 ASN A 27 -6.728 -22.508 -9.444 1.00 0.00 N ATOM 0 H ASN A 27 -8.095 -23.745 -13.245 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.814 -25.820 -11.092 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.744 -22.924 -10.985 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.280 -24.084 -9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.845 -22.392 -8.947 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.279 -21.689 -9.703 1.00 0.00 H new ATOM 439 N PRO A 28 -10.329 -26.278 -11.106 1.00 0.00 N ATOM 440 CA PRO A 28 -11.670 -26.832 -11.329 1.00 0.00 C ATOM 441 C PRO A 28 -12.744 -25.813 -10.954 1.00 0.00 C ATOM 442 O PRO A 28 -13.405 -25.949 -9.944 1.00 0.00 O ATOM 443 CB PRO A 28 -11.728 -28.030 -10.397 1.00 0.00 C ATOM 444 CG PRO A 28 -10.674 -27.784 -9.311 1.00 0.00 C ATOM 445 CD PRO A 28 -9.688 -26.745 -9.864 1.00 0.00 C ATOM 0 HA PRO A 28 -11.847 -27.096 -12.372 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.721 -28.134 -9.959 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.520 -28.953 -10.938 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.142 -27.422 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.157 -28.710 -9.060 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.534 -25.926 -9.161 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.710 -27.186 -10.060 1.00 0.00 H new ATOM 453 N GLY A 29 -12.920 -24.784 -11.741 1.00 0.00 N ATOM 454 CA GLY A 29 -13.944 -23.762 -11.389 1.00 0.00 C ATOM 455 C GLY A 29 -13.793 -23.437 -9.906 1.00 0.00 C ATOM 456 O GLY A 29 -14.737 -23.075 -9.232 1.00 0.00 O ATOM 0 H GLY A 29 -12.404 -24.610 -12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.809 -22.864 -11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.946 -24.138 -11.597 1.00 0.00 H new ATOM 460 N ILE A 30 -12.598 -23.588 -9.398 1.00 0.00 N ATOM 461 CA ILE A 30 -12.339 -23.320 -7.963 1.00 0.00 C ATOM 462 C ILE A 30 -13.125 -22.094 -7.501 1.00 0.00 C ATOM 463 O ILE A 30 -13.566 -21.289 -8.296 1.00 0.00 O ATOM 464 CB ILE A 30 -10.848 -23.096 -7.781 1.00 0.00 C ATOM 465 CG1 ILE A 30 -10.528 -22.927 -6.300 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.453 -21.846 -8.538 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.012 -22.947 -6.104 1.00 0.00 C ATOM 0 H ILE A 30 -11.782 -23.891 -9.930 1.00 0.00 H new ATOM 0 HA ILE A 30 -12.662 -24.169 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.293 -23.953 -8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.941 -21.988 -5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.991 -23.727 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.384 -21.670 -8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.683 -21.973 -9.596 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.007 -20.993 -8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.780 -22.826 -5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.612 -23.898 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.561 -22.131 -6.669 1.00 0.00 H new ATOM 479 N LYS A 31 -13.310 -21.950 -6.218 1.00 0.00 N ATOM 480 CA LYS A 31 -14.077 -20.780 -5.706 1.00 0.00 C ATOM 481 C LYS A 31 -13.225 -19.516 -5.817 1.00 0.00 C ATOM 482 O LYS A 31 -12.032 -19.536 -5.592 1.00 0.00 O ATOM 483 CB LYS A 31 -14.452 -21.017 -4.245 1.00 0.00 C ATOM 484 CG LYS A 31 -15.917 -21.450 -4.158 1.00 0.00 C ATOM 485 CD LYS A 31 -15.990 -22.967 -3.975 1.00 0.00 C ATOM 486 CE LYS A 31 -16.026 -23.647 -5.346 1.00 0.00 C ATOM 487 NZ LYS A 31 -15.029 -24.755 -5.382 1.00 0.00 N ATOM 0 H LYS A 31 -12.964 -22.590 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.983 -20.655 -6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.809 -21.784 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.296 -20.107 -3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.407 -20.948 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.449 -21.156 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.128 -23.317 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.879 -23.232 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.025 -24.037 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.806 -22.921 -6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.055 -25.215 -6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.077 -24.371 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.258 -25.452 -4.645 1.00 0.00 H new ATOM 501 N VAL A 32 -13.831 -18.415 -6.164 1.00 0.00 N ATOM 502 CA VAL A 32 -13.071 -17.152 -6.291 1.00 0.00 C ATOM 503 C VAL A 32 -12.535 -16.748 -4.909 1.00 0.00 C ATOM 504 O VAL A 32 -11.637 -15.938 -4.794 1.00 0.00 O ATOM 505 CB VAL A 32 -13.987 -16.062 -6.873 1.00 0.00 C ATOM 506 CG1 VAL A 32 -15.428 -16.335 -6.480 1.00 0.00 C ATOM 507 CG2 VAL A 32 -13.587 -14.696 -6.341 1.00 0.00 C ATOM 0 H VAL A 32 -14.828 -18.341 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.225 -17.283 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.888 -16.074 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -16.072 -15.559 -6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.733 -17.307 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -15.515 -16.335 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.244 -13.935 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.673 -14.689 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.556 -14.483 -6.625 1.00 0.00 H new ATOM 517 N THR A 33 -13.077 -17.311 -3.863 1.00 0.00 N ATOM 518 CA THR A 33 -12.595 -16.963 -2.496 1.00 0.00 C ATOM 519 C THR A 33 -11.508 -17.952 -2.073 1.00 0.00 C ATOM 520 O THR A 33 -10.745 -17.700 -1.161 1.00 0.00 O ATOM 521 CB THR A 33 -13.761 -17.039 -1.507 1.00 0.00 C ATOM 522 OG1 THR A 33 -14.513 -18.218 -1.755 1.00 0.00 O ATOM 523 CG2 THR A 33 -14.662 -15.814 -1.674 1.00 0.00 C ATOM 0 H THR A 33 -13.832 -17.996 -3.896 1.00 0.00 H new ATOM 0 HA THR A 33 -12.188 -15.952 -2.502 1.00 0.00 H new ATOM 0 HB THR A 33 -13.371 -17.061 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.259 -18.269 -1.122 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.490 -15.873 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.085 -14.909 -1.482 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.053 -15.786 -2.691 1.00 0.00 H new ATOM 531 N GLU A 34 -11.428 -19.079 -2.729 1.00 0.00 N ATOM 532 CA GLU A 34 -10.393 -20.081 -2.367 1.00 0.00 C ATOM 533 C GLU A 34 -9.221 -19.954 -3.351 1.00 0.00 C ATOM 534 O GLU A 34 -8.144 -20.470 -3.124 1.00 0.00 O ATOM 535 CB GLU A 34 -11.033 -21.489 -2.415 1.00 0.00 C ATOM 536 CG GLU A 34 -10.323 -22.393 -3.425 1.00 0.00 C ATOM 537 CD GLU A 34 -9.018 -22.913 -2.820 1.00 0.00 C ATOM 538 OE1 GLU A 34 -9.066 -23.441 -1.721 1.00 0.00 O ATOM 539 OE2 GLU A 34 -7.992 -22.774 -3.466 1.00 0.00 O ATOM 0 H GLU A 34 -12.038 -19.346 -3.501 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.011 -19.913 -1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.990 -21.943 -1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.087 -21.402 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.968 -23.229 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.116 -21.840 -4.341 1.00 0.00 H new ATOM 546 N VAL A 35 -9.433 -19.273 -4.444 1.00 0.00 N ATOM 547 CA VAL A 35 -8.350 -19.111 -5.452 1.00 0.00 C ATOM 548 C VAL A 35 -7.111 -18.512 -4.779 1.00 0.00 C ATOM 549 O VAL A 35 -5.990 -18.838 -5.117 1.00 0.00 O ATOM 550 CB VAL A 35 -8.843 -18.178 -6.559 1.00 0.00 C ATOM 551 CG1 VAL A 35 -7.655 -17.632 -7.356 1.00 0.00 C ATOM 552 CG2 VAL A 35 -9.772 -18.951 -7.498 1.00 0.00 C ATOM 0 H VAL A 35 -10.315 -18.820 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.088 -20.079 -5.878 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.382 -17.345 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.018 -16.969 -8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.994 -17.078 -6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.107 -18.460 -7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.125 -18.288 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.229 -19.786 -7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.625 -19.330 -6.935 1.00 0.00 H new ATOM 562 N ALA A 36 -7.306 -17.634 -3.835 1.00 0.00 N ATOM 563 CA ALA A 36 -6.145 -17.007 -3.144 1.00 0.00 C ATOM 564 C ALA A 36 -5.587 -17.967 -2.091 1.00 0.00 C ATOM 565 O ALA A 36 -4.424 -17.914 -1.745 1.00 0.00 O ATOM 566 CB ALA A 36 -6.595 -15.712 -2.464 1.00 0.00 C ATOM 0 H ALA A 36 -8.222 -17.323 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.369 -16.786 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.746 -15.253 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.986 -15.024 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.374 -15.935 -1.735 1.00 0.00 H new ATOM 572 N LYS A 37 -6.405 -18.843 -1.575 1.00 0.00 N ATOM 573 CA LYS A 37 -5.917 -19.798 -0.547 1.00 0.00 C ATOM 574 C LYS A 37 -4.837 -20.697 -1.153 1.00 0.00 C ATOM 575 O LYS A 37 -3.741 -20.805 -0.639 1.00 0.00 O ATOM 576 CB LYS A 37 -7.100 -20.625 -0.056 1.00 0.00 C ATOM 577 CG LYS A 37 -6.625 -21.975 0.491 1.00 0.00 C ATOM 578 CD LYS A 37 -5.719 -21.743 1.702 1.00 0.00 C ATOM 579 CE LYS A 37 -6.492 -22.055 2.985 1.00 0.00 C ATOM 580 NZ LYS A 37 -7.514 -20.996 3.223 1.00 0.00 N ATOM 0 H LYS A 37 -7.390 -18.937 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.479 -19.263 0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.634 -20.079 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.803 -20.785 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.482 -22.586 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.085 -22.523 -0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.835 -22.377 1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.371 -20.710 1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.975 -23.029 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.806 -22.109 3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.896 -21.092 4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.074 -20.059 3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.285 -21.096 2.533 1.00 0.00 H new ATOM 594 N ARG A 38 -5.139 -21.341 -2.243 1.00 0.00 N ATOM 595 CA ARG A 38 -4.136 -22.234 -2.888 1.00 0.00 C ATOM 596 C ARG A 38 -2.999 -21.390 -3.469 1.00 0.00 C ATOM 597 O ARG A 38 -1.877 -21.838 -3.584 1.00 0.00 O ATOM 598 CB ARG A 38 -4.813 -23.024 -4.011 1.00 0.00 C ATOM 599 CG ARG A 38 -4.667 -24.524 -3.743 1.00 0.00 C ATOM 600 CD ARG A 38 -5.423 -24.894 -2.465 1.00 0.00 C ATOM 601 NE ARG A 38 -5.859 -26.318 -2.543 1.00 0.00 N ATOM 602 CZ ARG A 38 -6.401 -26.894 -1.506 1.00 0.00 C ATOM 603 NH1 ARG A 38 -5.948 -26.644 -0.307 1.00 0.00 N ATOM 604 NH2 ARG A 38 -7.397 -27.722 -1.667 1.00 0.00 N ATOM 0 H ARG A 38 -6.040 -21.288 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.731 -22.924 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.868 -22.756 -4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.363 -22.770 -4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.057 -25.094 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.613 -24.785 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.784 -24.745 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.288 -24.243 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.733 -26.842 -3.409 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.169 -25.997 -0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.373 -27.095 0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.751 -27.918 -2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.821 -28.173 -0.857 1.00 0.00 H new ATOM 618 N GLY A 39 -3.280 -20.169 -3.831 1.00 0.00 N ATOM 619 CA GLY A 39 -2.213 -19.298 -4.401 1.00 0.00 C ATOM 620 C GLY A 39 -1.058 -19.186 -3.404 1.00 0.00 C ATOM 621 O GLY A 39 0.044 -18.814 -3.754 1.00 0.00 O ATOM 0 H GLY A 39 -4.201 -19.737 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.855 -19.713 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.615 -18.309 -4.621 1.00 0.00 H new ATOM 625 N GLY A 40 -1.303 -19.502 -2.162 1.00 0.00 N ATOM 626 CA GLY A 40 -0.220 -19.412 -1.144 1.00 0.00 C ATOM 627 C GLY A 40 0.645 -20.672 -1.200 1.00 0.00 C ATOM 628 O GLY A 40 1.840 -20.624 -0.985 1.00 0.00 O ATOM 0 H GLY A 40 -2.206 -19.818 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.393 -18.530 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.651 -19.299 -0.149 1.00 0.00 H new ATOM 632 N GLU A 41 0.053 -21.799 -1.487 1.00 0.00 N ATOM 633 CA GLU A 41 0.846 -23.058 -1.553 1.00 0.00 C ATOM 634 C GLU A 41 1.735 -23.042 -2.804 1.00 0.00 C ATOM 635 O GLU A 41 2.891 -23.415 -2.762 1.00 0.00 O ATOM 636 CB GLU A 41 -0.106 -24.260 -1.585 1.00 0.00 C ATOM 637 CG GLU A 41 -0.516 -24.589 -3.027 1.00 0.00 C ATOM 638 CD GLU A 41 -1.458 -25.795 -3.029 1.00 0.00 C ATOM 639 OE1 GLU A 41 -1.808 -26.252 -1.954 1.00 0.00 O ATOM 640 OE2 GLU A 41 -1.815 -26.240 -4.108 1.00 0.00 O ATOM 0 H GLU A 41 -0.944 -21.902 -1.678 1.00 0.00 H new ATOM 0 HA GLU A 41 1.484 -23.138 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.378 -25.126 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.993 -24.044 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.008 -23.729 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.368 -24.804 -3.627 1.00 0.00 H new ATOM 647 N LEU A 42 1.199 -22.614 -3.914 1.00 0.00 N ATOM 648 CA LEU A 42 2.003 -22.572 -5.170 1.00 0.00 C ATOM 649 C LEU A 42 3.121 -21.540 -5.035 1.00 0.00 C ATOM 650 O LEU A 42 4.252 -21.781 -5.406 1.00 0.00 O ATOM 651 CB LEU A 42 1.096 -22.178 -6.335 1.00 0.00 C ATOM 652 CG LEU A 42 0.543 -23.436 -7.003 1.00 0.00 C ATOM 653 CD1 LEU A 42 -0.282 -23.034 -8.227 1.00 0.00 C ATOM 654 CD2 LEU A 42 1.704 -24.331 -7.442 1.00 0.00 C ATOM 0 H LEU A 42 0.236 -22.290 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 42 2.438 -23.555 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.277 -21.555 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.654 -21.585 -7.059 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.087 -23.979 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.679 -23.928 -8.708 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.107 -22.393 -7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.351 -22.494 -8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.311 -25.229 -7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.333 -23.790 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.296 -24.612 -6.571 1.00 0.00 H new ATOM 666 N TRP A 43 2.812 -20.385 -4.512 1.00 0.00 N ATOM 667 CA TRP A 43 3.852 -19.330 -4.359 1.00 0.00 C ATOM 668 C TRP A 43 5.061 -19.898 -3.606 1.00 0.00 C ATOM 669 O TRP A 43 6.187 -19.510 -3.841 1.00 0.00 O ATOM 670 CB TRP A 43 3.256 -18.152 -3.579 1.00 0.00 C ATOM 671 CG TRP A 43 4.352 -17.267 -3.078 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.822 -17.259 -1.811 1.00 0.00 C ATOM 673 CD2 TRP A 43 5.118 -16.267 -3.807 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.831 -16.319 -1.715 1.00 0.00 N ATOM 675 CE2 TRP A 43 6.051 -15.680 -2.919 1.00 0.00 C ATOM 676 CE3 TRP A 43 5.095 -15.818 -5.139 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.931 -14.681 -3.340 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.979 -14.813 -5.565 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.895 -14.245 -4.668 1.00 0.00 C ATOM 0 H TRP A 43 1.882 -20.127 -4.183 1.00 0.00 H new ATOM 0 HA TRP A 43 4.179 -18.990 -5.342 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.582 -17.584 -4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.664 -18.521 -2.742 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.467 -17.885 -1.005 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.350 -16.122 -0.859 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.394 -16.248 -5.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.635 -14.248 -2.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.953 -14.475 -6.591 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.571 -13.472 -5.002 1.00 0.00 H new ATOM 690 N ARG A 44 4.838 -20.807 -2.697 1.00 0.00 N ATOM 691 CA ARG A 44 5.979 -21.385 -1.929 1.00 0.00 C ATOM 692 C ARG A 44 6.776 -22.344 -2.818 1.00 0.00 C ATOM 693 O ARG A 44 7.983 -22.438 -2.716 1.00 0.00 O ATOM 694 CB ARG A 44 5.442 -22.148 -0.716 1.00 0.00 C ATOM 695 CG ARG A 44 6.026 -21.547 0.563 1.00 0.00 C ATOM 696 CD ARG A 44 5.609 -22.399 1.763 1.00 0.00 C ATOM 697 NE ARG A 44 5.854 -21.642 3.023 1.00 0.00 N ATOM 698 CZ ARG A 44 7.059 -21.576 3.521 1.00 0.00 C ATOM 699 NH1 ARG A 44 7.955 -20.813 2.961 1.00 0.00 N ATOM 700 NH2 ARG A 44 7.366 -22.276 4.580 1.00 0.00 N ATOM 0 H ARG A 44 3.918 -21.174 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 44 6.631 -20.577 -1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.354 -22.094 -0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.708 -23.203 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.113 -21.504 0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.674 -20.523 0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.554 -22.664 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.172 -23.332 1.772 1.00 0.00 H new ATOM 0 HE ARG A 44 5.080 -21.175 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.715 -20.267 2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.896 -20.762 3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.665 -22.874 5.017 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.307 -22.225 4.970 1.00 0.00 H new ATOM 714 N ALA A 45 6.112 -23.066 -3.678 1.00 0.00 N ATOM 715 CA ALA A 45 6.833 -24.028 -4.559 1.00 0.00 C ATOM 716 C ALA A 45 6.777 -23.551 -6.008 1.00 0.00 C ATOM 717 O ALA A 45 6.979 -24.312 -6.933 1.00 0.00 O ATOM 718 CB ALA A 45 6.152 -25.386 -4.466 1.00 0.00 C ATOM 0 H ALA A 45 5.101 -23.032 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 45 7.873 -24.099 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.672 -26.098 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.181 -25.738 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.115 -25.296 -4.790 1.00 0.00 H new ATOM 724 N MET A 46 6.501 -22.301 -6.211 1.00 0.00 N ATOM 725 CA MET A 46 6.426 -21.772 -7.596 1.00 0.00 C ATOM 726 C MET A 46 7.801 -21.904 -8.257 1.00 0.00 C ATOM 727 O MET A 46 8.204 -22.977 -8.659 1.00 0.00 O ATOM 728 CB MET A 46 5.991 -20.300 -7.547 1.00 0.00 C ATOM 729 CG MET A 46 5.911 -19.734 -8.969 1.00 0.00 C ATOM 730 SD MET A 46 6.795 -18.152 -9.058 1.00 0.00 S ATOM 731 CE MET A 46 6.147 -17.416 -7.535 1.00 0.00 C ATOM 0 H MET A 46 6.323 -21.618 -5.475 1.00 0.00 H new ATOM 0 HA MET A 46 5.698 -22.336 -8.179 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.021 -20.214 -7.057 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.700 -19.721 -6.955 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.344 -20.442 -9.676 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.869 -19.594 -9.255 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.975 -16.351 -7.690 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.208 -17.900 -7.268 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.868 -17.553 -6.729 1.00 0.00 H new ATOM 741 N LYS A 47 8.517 -20.825 -8.384 1.00 0.00 N ATOM 742 CA LYS A 47 9.846 -20.877 -9.024 1.00 0.00 C ATOM 743 C LYS A 47 10.873 -20.209 -8.111 1.00 0.00 C ATOM 744 O LYS A 47 11.730 -20.853 -7.541 1.00 0.00 O ATOM 745 CB LYS A 47 9.743 -20.104 -10.324 1.00 0.00 C ATOM 746 CG LYS A 47 9.656 -21.082 -11.497 1.00 0.00 C ATOM 747 CD LYS A 47 10.376 -20.493 -12.713 1.00 0.00 C ATOM 748 CE LYS A 47 9.345 -20.059 -13.757 1.00 0.00 C ATOM 749 NZ LYS A 47 9.661 -18.681 -14.227 1.00 0.00 N ATOM 0 H LYS A 47 8.229 -19.900 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 47 10.156 -21.906 -9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.863 -19.461 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.610 -19.455 -10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.106 -22.036 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.612 -21.281 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.984 -19.640 -12.411 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.053 -21.232 -13.141 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.351 -20.752 -14.599 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.343 -20.087 -13.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.960 -18.387 -14.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.634 -18.025 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.610 -18.668 -14.652 1.00 0.00 H new ATOM 763 N ASP A 48 10.784 -18.915 -7.969 1.00 0.00 N ATOM 764 CA ASP A 48 11.741 -18.185 -7.095 1.00 0.00 C ATOM 765 C ASP A 48 11.080 -16.897 -6.603 1.00 0.00 C ATOM 766 O ASP A 48 10.455 -16.183 -7.361 1.00 0.00 O ATOM 767 CB ASP A 48 13.002 -17.842 -7.890 1.00 0.00 C ATOM 768 CG ASP A 48 14.211 -18.523 -7.245 1.00 0.00 C ATOM 769 OD1 ASP A 48 14.318 -19.732 -7.365 1.00 0.00 O ATOM 770 OD2 ASP A 48 15.008 -17.823 -6.644 1.00 0.00 O ATOM 0 H ASP A 48 10.084 -18.330 -8.425 1.00 0.00 H new ATOM 0 HA ASP A 48 12.013 -18.809 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.894 -18.171 -8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.148 -16.762 -7.913 1.00 0.00 H new ATOM 775 N LYS A 49 11.203 -16.596 -5.340 1.00 0.00 N ATOM 776 CA LYS A 49 10.570 -15.358 -4.807 1.00 0.00 C ATOM 777 C LYS A 49 11.444 -14.146 -5.131 1.00 0.00 C ATOM 778 O LYS A 49 11.148 -13.038 -4.736 1.00 0.00 O ATOM 779 CB LYS A 49 10.411 -15.480 -3.292 1.00 0.00 C ATOM 780 CG LYS A 49 9.445 -16.622 -2.974 1.00 0.00 C ATOM 781 CD LYS A 49 10.147 -17.648 -2.081 1.00 0.00 C ATOM 782 CE LYS A 49 10.401 -17.038 -0.702 1.00 0.00 C ATOM 783 NZ LYS A 49 11.181 -17.998 0.129 1.00 0.00 N ATOM 0 H LYS A 49 11.714 -17.153 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 49 9.591 -15.228 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.379 -15.668 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.035 -14.545 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.558 -16.234 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.109 -17.096 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.533 -18.544 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.090 -17.955 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.947 -16.100 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.454 -16.805 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.354 -17.584 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.644 -18.882 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.090 -18.199 -0.334 1.00 0.00 H new ATOM 797 N SER A 50 12.519 -14.343 -5.843 1.00 0.00 N ATOM 798 CA SER A 50 13.404 -13.195 -6.185 1.00 0.00 C ATOM 799 C SER A 50 12.949 -12.575 -7.506 1.00 0.00 C ATOM 800 O SER A 50 13.295 -11.457 -7.837 1.00 0.00 O ATOM 801 CB SER A 50 14.846 -13.684 -6.316 1.00 0.00 C ATOM 802 OG SER A 50 15.271 -14.225 -5.072 1.00 0.00 O ATOM 0 H SER A 50 12.822 -15.248 -6.202 1.00 0.00 H new ATOM 0 HA SER A 50 13.347 -12.445 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.917 -14.440 -7.098 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.497 -12.860 -6.609 1.00 0.00 H new ATOM 0 HG SER A 50 16.195 -14.542 -5.152 1.00 0.00 H new ATOM 808 N GLU A 51 12.169 -13.291 -8.262 1.00 0.00 N ATOM 809 CA GLU A 51 11.685 -12.746 -9.557 1.00 0.00 C ATOM 810 C GLU A 51 10.775 -11.546 -9.290 1.00 0.00 C ATOM 811 O GLU A 51 11.006 -10.448 -9.759 1.00 0.00 O ATOM 812 CB GLU A 51 10.916 -13.831 -10.290 1.00 0.00 C ATOM 813 CG GLU A 51 9.991 -13.211 -11.344 1.00 0.00 C ATOM 814 CD GLU A 51 9.428 -14.314 -12.243 1.00 0.00 C ATOM 815 OE1 GLU A 51 9.494 -15.466 -11.847 1.00 0.00 O ATOM 816 OE2 GLU A 51 8.943 -13.988 -13.313 1.00 0.00 O ATOM 0 H GLU A 51 11.845 -14.232 -8.039 1.00 0.00 H new ATOM 0 HA GLU A 51 12.528 -12.424 -10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.613 -14.520 -10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.329 -14.413 -9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.177 -12.673 -10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.540 -12.484 -11.943 1.00 0.00 H new ATOM 823 N TRP A 52 9.736 -11.760 -8.539 1.00 0.00 N ATOM 824 CA TRP A 52 8.792 -10.661 -8.234 1.00 0.00 C ATOM 825 C TRP A 52 9.394 -9.720 -7.206 1.00 0.00 C ATOM 826 O TRP A 52 9.145 -8.541 -7.233 1.00 0.00 O ATOM 827 CB TRP A 52 7.519 -11.256 -7.665 1.00 0.00 C ATOM 828 CG TRP A 52 7.140 -12.427 -8.470 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.479 -13.677 -8.175 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.359 -12.474 -9.685 1.00 0.00 C ATOM 831 NE1 TRP A 52 6.943 -14.521 -9.128 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.237 -13.818 -10.088 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.749 -11.486 -10.461 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.523 -14.172 -11.235 1.00 0.00 C ATOM 835 CZ3 TRP A 52 5.033 -11.825 -11.606 1.00 0.00 C ATOM 836 CH2 TRP A 52 4.914 -13.169 -11.997 1.00 0.00 C ATOM 0 H TRP A 52 9.500 -12.660 -8.120 1.00 0.00 H new ATOM 0 HA TRP A 52 8.582 -10.105 -9.148 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.670 -11.546 -6.625 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.719 -10.516 -7.676 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.076 -13.983 -7.329 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.054 -15.535 -9.124 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.833 -10.449 -10.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.442 -15.208 -11.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.567 -11.050 -12.197 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.354 -13.427 -12.884 1.00 0.00 H new ATOM 847 N GLU A 53 10.170 -10.215 -6.287 1.00 0.00 N ATOM 848 CA GLU A 53 10.748 -9.290 -5.273 1.00 0.00 C ATOM 849 C GLU A 53 11.433 -8.134 -6.001 1.00 0.00 C ATOM 850 O GLU A 53 11.199 -6.977 -5.714 1.00 0.00 O ATOM 851 CB GLU A 53 11.748 -10.039 -4.380 1.00 0.00 C ATOM 852 CG GLU A 53 13.122 -10.097 -5.043 1.00 0.00 C ATOM 853 CD GLU A 53 14.125 -10.732 -4.077 1.00 0.00 C ATOM 854 OE1 GLU A 53 13.713 -11.570 -3.293 1.00 0.00 O ATOM 855 OE2 GLU A 53 15.289 -10.370 -4.141 1.00 0.00 O ATOM 0 H GLU A 53 10.426 -11.198 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 53 9.957 -8.898 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.825 -9.540 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.387 -11.050 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.070 -10.678 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.449 -9.094 -5.317 1.00 0.00 H new ATOM 862 N ALA A 54 12.268 -8.443 -6.949 1.00 0.00 N ATOM 863 CA ALA A 54 12.959 -7.365 -7.708 1.00 0.00 C ATOM 864 C ALA A 54 11.923 -6.586 -8.521 1.00 0.00 C ATOM 865 O ALA A 54 12.012 -5.384 -8.676 1.00 0.00 O ATOM 866 CB ALA A 54 13.993 -7.985 -8.652 1.00 0.00 C ATOM 0 H ALA A 54 12.503 -9.394 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 54 13.465 -6.692 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.498 -7.195 -9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.725 -8.546 -8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.492 -8.656 -9.350 1.00 0.00 H new ATOM 872 N LYS A 55 10.941 -7.269 -9.039 1.00 0.00 N ATOM 873 CA LYS A 55 9.889 -6.584 -9.847 1.00 0.00 C ATOM 874 C LYS A 55 9.189 -5.510 -9.012 1.00 0.00 C ATOM 875 O LYS A 55 8.824 -4.463 -9.509 1.00 0.00 O ATOM 876 CB LYS A 55 8.853 -7.613 -10.293 1.00 0.00 C ATOM 877 CG LYS A 55 9.434 -8.466 -11.421 1.00 0.00 C ATOM 878 CD LYS A 55 9.295 -7.717 -12.747 1.00 0.00 C ATOM 879 CE LYS A 55 10.442 -8.112 -13.679 1.00 0.00 C ATOM 880 NZ LYS A 55 10.177 -9.464 -14.249 1.00 0.00 N ATOM 0 H LYS A 55 10.820 -8.277 -8.938 1.00 0.00 H new ATOM 0 HA LYS A 55 10.358 -6.115 -10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.569 -8.247 -9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.948 -7.110 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.483 -8.685 -11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.913 -9.422 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.337 -7.953 -13.211 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.308 -6.641 -12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.541 -7.381 -14.481 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.385 -8.115 -13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.957 -9.733 -14.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.103 -10.158 -13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.286 -9.446 -14.785 1.00 0.00 H new ATOM 894 N ALA A 56 8.988 -5.766 -7.752 1.00 0.00 N ATOM 895 CA ALA A 56 8.300 -4.768 -6.890 1.00 0.00 C ATOM 896 C ALA A 56 9.181 -3.525 -6.759 1.00 0.00 C ATOM 897 O ALA A 56 8.701 -2.411 -6.696 1.00 0.00 O ATOM 898 CB ALA A 56 8.059 -5.369 -5.505 1.00 0.00 C ATOM 0 H ALA A 56 9.271 -6.625 -7.280 1.00 0.00 H new ATOM 0 HA ALA A 56 7.344 -4.495 -7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.555 -4.637 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.436 -6.259 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.014 -5.640 -5.055 1.00 0.00 H new ATOM 904 N ALA A 57 10.472 -3.713 -6.720 1.00 0.00 N ATOM 905 CA ALA A 57 11.398 -2.555 -6.595 1.00 0.00 C ATOM 906 C ALA A 57 11.018 -1.489 -7.623 1.00 0.00 C ATOM 907 O ALA A 57 10.898 -0.322 -7.310 1.00 0.00 O ATOM 908 CB ALA A 57 12.831 -3.025 -6.853 1.00 0.00 C ATOM 0 H ALA A 57 10.926 -4.625 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 57 11.327 -2.134 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.513 -2.180 -6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.100 -3.788 -6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.902 -3.442 -7.857 1.00 0.00 H new ATOM 914 N LYS A 58 10.829 -1.885 -8.851 1.00 0.00 N ATOM 915 CA LYS A 58 10.457 -0.896 -9.903 1.00 0.00 C ATOM 916 C LYS A 58 9.298 -0.032 -9.405 1.00 0.00 C ATOM 917 O LYS A 58 9.418 1.170 -9.305 1.00 0.00 O ATOM 918 CB LYS A 58 10.042 -1.634 -11.177 1.00 0.00 C ATOM 919 CG LYS A 58 9.513 -0.629 -12.202 1.00 0.00 C ATOM 920 CD LYS A 58 10.557 -0.421 -13.301 1.00 0.00 C ATOM 921 CE LYS A 58 10.755 1.077 -13.543 1.00 0.00 C ATOM 922 NZ LYS A 58 10.000 1.489 -14.760 1.00 0.00 N ATOM 0 H LYS A 58 10.916 -2.849 -9.172 1.00 0.00 H new ATOM 0 HA LYS A 58 11.314 -0.258 -10.121 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.893 -2.176 -11.589 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.275 -2.373 -10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.581 -0.992 -12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.289 0.320 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.502 -0.881 -13.011 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.234 -0.909 -14.221 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.410 1.644 -12.679 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.815 1.299 -13.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.135 2.507 -14.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.349 0.957 -15.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.988 1.291 -14.624 1.00 0.00 H new ATOM 936 N ALA A 59 8.178 -0.625 -9.088 1.00 0.00 N ATOM 937 CA ALA A 59 7.032 0.194 -8.598 1.00 0.00 C ATOM 938 C ALA A 59 7.488 1.030 -7.410 1.00 0.00 C ATOM 939 O ALA A 59 6.987 2.099 -7.174 1.00 0.00 O ATOM 940 CB ALA A 59 5.880 -0.709 -8.144 1.00 0.00 C ATOM 0 H ALA A 59 8.008 -1.629 -9.146 1.00 0.00 H new ATOM 0 HA ALA A 59 6.688 0.834 -9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.053 -0.093 -7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.545 -1.320 -8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.222 -1.357 -7.337 1.00 0.00 H new ATOM 946 N LYS A 60 8.432 0.546 -6.655 1.00 0.00 N ATOM 947 CA LYS A 60 8.912 1.302 -5.476 1.00 0.00 C ATOM 948 C LYS A 60 9.504 2.630 -5.917 1.00 0.00 C ATOM 949 O LYS A 60 9.244 3.660 -5.337 1.00 0.00 O ATOM 950 CB LYS A 60 9.994 0.476 -4.805 1.00 0.00 C ATOM 951 CG LYS A 60 9.678 0.312 -3.316 1.00 0.00 C ATOM 952 CD LYS A 60 10.901 -0.251 -2.588 1.00 0.00 C ATOM 953 CE LYS A 60 10.952 0.314 -1.167 1.00 0.00 C ATOM 954 NZ LYS A 60 11.833 -0.541 -0.320 1.00 0.00 N ATOM 0 H LYS A 60 8.894 -0.350 -6.809 1.00 0.00 H new ATOM 0 HA LYS A 60 8.086 1.494 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.064 -0.502 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.963 0.961 -4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.397 1.273 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.826 -0.356 -3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.850 -1.339 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.811 0.010 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.329 1.337 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.948 0.351 -0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.867 -0.156 0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.455 -1.510 -0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.793 -0.555 -0.721 1.00 0.00 H new ATOM 968 N ASP A 61 10.314 2.609 -6.924 1.00 0.00 N ATOM 969 CA ASP A 61 10.938 3.877 -7.396 1.00 0.00 C ATOM 970 C ASP A 61 9.885 4.747 -8.092 1.00 0.00 C ATOM 971 O ASP A 61 9.780 5.930 -7.840 1.00 0.00 O ATOM 972 CB ASP A 61 12.075 3.549 -8.370 1.00 0.00 C ATOM 973 CG ASP A 61 12.475 4.807 -9.142 1.00 0.00 C ATOM 974 OD1 ASP A 61 12.420 5.877 -8.559 1.00 0.00 O ATOM 975 OD2 ASP A 61 12.830 4.680 -10.303 1.00 0.00 O ATOM 0 H ASP A 61 10.576 1.773 -7.446 1.00 0.00 H new ATOM 0 HA ASP A 61 11.339 4.426 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.933 3.159 -7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.758 2.771 -9.064 1.00 0.00 H new ATOM 980 N ASP A 62 9.108 4.173 -8.965 1.00 0.00 N ATOM 981 CA ASP A 62 8.065 4.968 -9.672 1.00 0.00 C ATOM 982 C ASP A 62 6.921 5.280 -8.707 1.00 0.00 C ATOM 983 O ASP A 62 6.027 6.044 -9.013 1.00 0.00 O ATOM 984 CB ASP A 62 7.518 4.148 -10.839 1.00 0.00 C ATOM 985 CG ASP A 62 8.435 4.304 -12.054 1.00 0.00 C ATOM 986 OD1 ASP A 62 9.577 4.692 -11.866 1.00 0.00 O ATOM 987 OD2 ASP A 62 7.979 4.034 -13.153 1.00 0.00 O ATOM 0 H ASP A 62 9.149 3.186 -9.221 1.00 0.00 H new ATOM 0 HA ASP A 62 8.501 5.897 -10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.448 3.098 -10.557 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.510 4.479 -11.087 1.00 0.00 H new ATOM 992 N TYR A 63 6.927 4.675 -7.555 1.00 0.00 N ATOM 993 CA TYR A 63 5.828 4.911 -6.582 1.00 0.00 C ATOM 994 C TYR A 63 6.215 6.006 -5.586 1.00 0.00 C ATOM 995 O TYR A 63 5.450 6.903 -5.317 1.00 0.00 O ATOM 996 CB TYR A 63 5.565 3.615 -5.839 1.00 0.00 C ATOM 997 CG TYR A 63 4.636 3.866 -4.699 1.00 0.00 C ATOM 998 CD1 TYR A 63 3.311 4.228 -4.944 1.00 0.00 C ATOM 999 CD2 TYR A 63 5.098 3.715 -3.397 1.00 0.00 C ATOM 1000 CE1 TYR A 63 2.440 4.439 -3.876 1.00 0.00 C ATOM 1001 CE2 TYR A 63 4.232 3.926 -2.322 1.00 0.00 C ATOM 1002 CZ TYR A 63 2.898 4.285 -2.559 1.00 0.00 C ATOM 1003 OH TYR A 63 2.040 4.492 -1.499 1.00 0.00 O ATOM 0 H TYR A 63 7.649 4.025 -7.244 1.00 0.00 H new ATOM 0 HA TYR A 63 4.933 5.236 -7.113 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.134 2.878 -6.516 1.00 0.00 H new ATOM 0 HB3 TYR A 63 6.503 3.199 -5.471 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.961 4.345 -5.959 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.125 3.435 -3.217 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.414 4.721 -4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.590 3.813 -1.309 1.00 0.00 H new ATOM 0 HH TYR A 63 2.518 4.342 -0.657 1.00 0.00 H new ATOM 1013 N ASP A 64 7.391 5.945 -5.035 1.00 0.00 N ATOM 1014 CA ASP A 64 7.804 6.991 -4.065 1.00 0.00 C ATOM 1015 C ASP A 64 8.030 8.285 -4.824 1.00 0.00 C ATOM 1016 O ASP A 64 7.911 9.373 -4.296 1.00 0.00 O ATOM 1017 CB ASP A 64 9.094 6.569 -3.402 1.00 0.00 C ATOM 1018 CG ASP A 64 9.216 7.239 -2.032 1.00 0.00 C ATOM 1019 OD1 ASP A 64 8.971 8.432 -1.953 1.00 0.00 O ATOM 1020 OD2 ASP A 64 9.553 6.548 -1.086 1.00 0.00 O ATOM 0 H ASP A 64 8.083 5.217 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 64 7.034 7.130 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.118 5.485 -3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.943 6.844 -4.028 1.00 0.00 H new ATOM 1025 N ARG A 65 8.377 8.158 -6.068 1.00 0.00 N ATOM 1026 CA ARG A 65 8.645 9.355 -6.902 1.00 0.00 C ATOM 1027 C ARG A 65 7.354 9.862 -7.555 1.00 0.00 C ATOM 1028 O ARG A 65 7.139 11.051 -7.682 1.00 0.00 O ATOM 1029 CB ARG A 65 9.651 8.985 -7.993 1.00 0.00 C ATOM 1030 CG ARG A 65 10.507 10.204 -8.338 1.00 0.00 C ATOM 1031 CD ARG A 65 11.941 9.753 -8.620 1.00 0.00 C ATOM 1032 NE ARG A 65 12.810 10.110 -7.464 1.00 0.00 N ATOM 1033 CZ ARG A 65 12.918 11.355 -7.088 1.00 0.00 C ATOM 1034 NH1 ARG A 65 12.427 12.308 -7.833 1.00 0.00 N ATOM 1035 NH2 ARG A 65 13.517 11.648 -5.966 1.00 0.00 N ATOM 0 H ARG A 65 8.488 7.265 -6.549 1.00 0.00 H new ATOM 0 HA ARG A 65 9.047 10.145 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.286 8.167 -7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.126 8.634 -8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.097 10.716 -9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.494 10.917 -7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.968 8.677 -8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.311 10.229 -9.528 1.00 0.00 H new ATOM 0 HE ARG A 65 13.321 9.381 -6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.958 12.080 -8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.512 13.281 -7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.901 10.904 -5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.602 12.621 -5.672 1.00 0.00 H new ATOM 1049 N ALA A 66 6.509 8.972 -7.993 1.00 0.00 N ATOM 1050 CA ALA A 66 5.246 9.406 -8.665 1.00 0.00 C ATOM 1051 C ALA A 66 4.192 9.810 -7.638 1.00 0.00 C ATOM 1052 O ALA A 66 3.332 10.612 -7.926 1.00 0.00 O ATOM 1053 CB ALA A 66 4.706 8.258 -9.520 1.00 0.00 C ATOM 0 H ALA A 66 6.635 7.963 -7.916 1.00 0.00 H new ATOM 0 HA ALA A 66 5.467 10.270 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.785 8.572 -10.011 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.445 7.987 -10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.503 7.396 -8.885 1.00 0.00 H new ATOM 1059 N VAL A 67 4.237 9.285 -6.446 1.00 0.00 N ATOM 1060 CA VAL A 67 3.217 9.691 -5.452 1.00 0.00 C ATOM 1061 C VAL A 67 3.447 11.150 -5.104 1.00 0.00 C ATOM 1062 O VAL A 67 2.528 11.910 -4.977 1.00 0.00 O ATOM 1063 CB VAL A 67 3.323 8.867 -4.192 1.00 0.00 C ATOM 1064 CG1 VAL A 67 3.076 7.394 -4.501 1.00 0.00 C ATOM 1065 CG2 VAL A 67 4.700 9.068 -3.620 1.00 0.00 C ATOM 0 H VAL A 67 4.925 8.604 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 67 2.226 9.537 -5.880 1.00 0.00 H new ATOM 0 HB VAL A 67 2.571 9.182 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.156 6.811 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.078 7.273 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.818 7.043 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.804 8.482 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.446 8.744 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.849 10.124 -3.393 1.00 0.00 H new ATOM 1075 N LYS A 68 4.679 11.540 -4.952 1.00 0.00 N ATOM 1076 CA LYS A 68 4.974 12.965 -4.621 1.00 0.00 C ATOM 1077 C LYS A 68 4.205 13.861 -5.595 1.00 0.00 C ATOM 1078 O LYS A 68 3.665 14.882 -5.223 1.00 0.00 O ATOM 1079 CB LYS A 68 6.475 13.227 -4.755 1.00 0.00 C ATOM 1080 CG LYS A 68 7.231 12.392 -3.718 1.00 0.00 C ATOM 1081 CD LYS A 68 8.632 12.971 -3.516 1.00 0.00 C ATOM 1082 CE LYS A 68 9.117 12.655 -2.100 1.00 0.00 C ATOM 1083 NZ LYS A 68 8.561 13.660 -1.151 1.00 0.00 N ATOM 0 H LYS A 68 5.496 10.936 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 68 4.669 13.180 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.812 12.971 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.685 14.286 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.688 12.389 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.299 11.356 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.320 12.550 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.617 14.049 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.802 11.652 -1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.206 12.669 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.890 13.447 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.883 14.611 -1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.522 13.625 -1.178 1.00 0.00 H new ATOM 1097 N GLU A 69 4.131 13.461 -6.836 1.00 0.00 N ATOM 1098 CA GLU A 69 3.374 14.247 -7.844 1.00 0.00 C ATOM 1099 C GLU A 69 1.896 14.130 -7.469 1.00 0.00 C ATOM 1100 O GLU A 69 1.176 15.094 -7.303 1.00 0.00 O ATOM 1101 CB GLU A 69 3.662 13.608 -9.219 1.00 0.00 C ATOM 1102 CG GLU A 69 2.379 13.091 -9.872 1.00 0.00 C ATOM 1103 CD GLU A 69 2.635 12.817 -11.356 1.00 0.00 C ATOM 1104 OE1 GLU A 69 2.648 13.769 -12.119 1.00 0.00 O ATOM 1105 OE2 GLU A 69 2.814 11.661 -11.703 1.00 0.00 O ATOM 0 H GLU A 69 4.569 12.613 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 69 3.653 15.300 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.134 14.342 -9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.368 12.786 -9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.047 12.179 -9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.580 13.824 -9.759 1.00 0.00 H new ATOM 1112 N PHE A 70 1.491 12.914 -7.308 1.00 0.00 N ATOM 1113 CA PHE A 70 0.105 12.569 -6.900 1.00 0.00 C ATOM 1114 C PHE A 70 -0.293 13.330 -5.636 1.00 0.00 C ATOM 1115 O PHE A 70 -1.456 13.543 -5.361 1.00 0.00 O ATOM 1116 CB PHE A 70 0.143 11.107 -6.554 1.00 0.00 C ATOM 1117 CG PHE A 70 -0.997 10.786 -5.666 1.00 0.00 C ATOM 1118 CD1 PHE A 70 -2.236 10.563 -6.224 1.00 0.00 C ATOM 1119 CD2 PHE A 70 -0.801 10.745 -4.294 1.00 0.00 C ATOM 1120 CE1 PHE A 70 -3.324 10.284 -5.403 1.00 0.00 C ATOM 1121 CE2 PHE A 70 -1.882 10.464 -3.453 1.00 0.00 C ATOM 1122 CZ PHE A 70 -3.151 10.230 -4.010 1.00 0.00 C ATOM 0 H PHE A 70 2.092 12.102 -7.449 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.602 12.815 -7.693 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.093 10.505 -7.461 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.084 10.862 -6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.363 10.605 -7.296 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.179 10.929 -3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.298 10.110 -5.835 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.743 10.427 -2.383 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.991 10.009 -3.368 1.00 0.00 H new ATOM 1132 N GLU A 71 0.667 13.691 -4.849 1.00 0.00 N ATOM 1133 CA GLU A 71 0.362 14.381 -3.575 1.00 0.00 C ATOM 1134 C GLU A 71 0.510 15.879 -3.796 1.00 0.00 C ATOM 1135 O GLU A 71 -0.036 16.698 -3.083 1.00 0.00 O ATOM 1136 CB GLU A 71 1.349 13.912 -2.501 1.00 0.00 C ATOM 1137 CG GLU A 71 1.201 12.400 -2.293 1.00 0.00 C ATOM 1138 CD GLU A 71 1.702 12.023 -0.898 1.00 0.00 C ATOM 1139 OE1 GLU A 71 1.954 12.924 -0.117 1.00 0.00 O ATOM 1140 OE2 GLU A 71 1.825 10.837 -0.635 1.00 0.00 O ATOM 0 H GLU A 71 1.659 13.538 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.653 14.153 -3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.369 14.150 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.161 14.438 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.157 12.107 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.768 11.861 -3.052 1.00 0.00 H new ATOM 1147 N ALA A 72 1.259 16.222 -4.796 1.00 0.00 N ATOM 1148 CA ALA A 72 1.498 17.643 -5.131 1.00 0.00 C ATOM 1149 C ALA A 72 0.210 18.276 -5.664 1.00 0.00 C ATOM 1150 O ALA A 72 0.146 19.467 -5.903 1.00 0.00 O ATOM 1151 CB ALA A 72 2.577 17.676 -6.205 1.00 0.00 C ATOM 0 H ALA A 72 1.728 15.558 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 72 1.812 18.203 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.784 18.710 -6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.487 17.214 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.234 17.128 -7.082 1.00 0.00 H new ATOM 1157 N ASN A 73 -0.815 17.491 -5.853 1.00 0.00 N ATOM 1158 CA ASN A 73 -2.096 18.050 -6.371 1.00 0.00 C ATOM 1159 C ASN A 73 -3.109 18.144 -5.229 1.00 0.00 C ATOM 1160 O ASN A 73 -3.920 17.261 -5.034 1.00 0.00 O ATOM 1161 CB ASN A 73 -2.644 17.131 -7.465 1.00 0.00 C ATOM 1162 CG ASN A 73 -3.150 17.967 -8.633 1.00 0.00 C ATOM 1163 OD1 ASN A 73 -2.807 19.125 -8.765 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -3.960 17.422 -9.493 1.00 0.00 N ATOM 0 H ASN A 73 -0.821 16.487 -5.671 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.921 19.044 -6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.864 16.449 -7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.453 16.518 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.309 17.967 -10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.246 16.450 -9.379 1.00 0.00 H new ATOM 1171 N GLY A 74 -3.071 19.207 -4.473 1.00 0.00 N ATOM 1172 CA GLY A 74 -4.034 19.354 -3.345 1.00 0.00 C ATOM 1173 C GLY A 74 -5.375 19.857 -3.883 1.00 0.00 C ATOM 1174 O GLY A 74 -5.829 20.889 -3.417 1.00 0.00 O ATOM 1175 OXT GLY A 74 -5.927 19.201 -4.752 1.00 0.00 O ATOM 0 H GLY A 74 -2.415 19.980 -4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.168 18.397 -2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.641 20.052 -2.606 1.00 0.00 H new TER 1179 GLY A 74