USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 594 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 1 LYS N :NH3+ -172:sc= -0.0196 (180deg=-0.145) USER MOD Single : A 1 LYS NZ :NH3+ 168:sc=-0.00607 (180deg=-0.175) USER MOD Single : A 4 SER OG : rot -174:sc= 1.01 USER MOD Single : A 6 SER OG : rot 180:sc= 0.213 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.384 K(o=0.38,f=-0.16) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.43 F(o=-3.5!,f=-1.4) USER MOD Single : A 31 THR OG1 : rot -130:sc= 0.185 USER MOD Single : A 33 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.5!) USER MOD Single : A 37 GLN : amide:sc= -4.94! C(o=-4.9!,f=-9.5!) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= 0.728 (180deg=0.624) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 45 ASN : amide:sc= -2.18 K(o=-2.2,f=-3.8!) USER MOD Single : A 46 ASN : amide:sc= -0.268 K(o=-0.27,f=-0.81) USER MOD Single : A 48 GLN : amide:sc= -1.75! C(o=-1.7!,f=-1.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -0.05 (180deg=-0.298) USER MOD Single : A 59 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 1.22 (180deg=0.71) USER MOD Single : A 67 ASN : amide:sc= 0.704 K(o=0.7,f=-0.62) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -20.067 -7.836 -14.324 1.00 2.23 N ATOM 2 CA LYS A 1 -20.168 -8.306 -12.948 1.00 41.32 C ATOM 3 C LYS A 1 -18.985 -7.786 -12.176 1.00 71.31 C ATOM 4 O LYS A 1 -17.865 -7.832 -12.682 1.00 24.24 O ATOM 5 CB LYS A 1 -20.134 -9.840 -12.905 1.00 74.10 C ATOM 6 CG LYS A 1 -21.209 -10.528 -13.723 1.00 2.11 C ATOM 7 CD LYS A 1 -21.079 -12.041 -13.623 1.00 3.00 C ATOM 8 CE LYS A 1 -22.109 -12.753 -14.484 1.00 10.51 C ATOM 9 NZ LYS A 1 -21.940 -12.459 -15.931 1.00 23.24 N ATOM 0 H1 LYS A 1 -20.941 -8.071 -14.836 1.00 2.23 H new ATOM 0 H2 LYS A 1 -19.929 -6.805 -14.330 1.00 2.23 H new ATOM 0 H3 LYS A 1 -19.259 -8.296 -14.790 1.00 2.23 H new ATOM 0 HA LYS A 1 -21.105 -7.952 -12.518 1.00 41.32 H new ATOM 0 HB2 LYS A 1 -19.159 -10.177 -13.257 1.00 74.10 H new ATOM 0 HB3 LYS A 1 -20.226 -10.162 -11.868 1.00 74.10 H new ATOM 0 HG2 LYS A 1 -22.193 -10.219 -13.371 1.00 2.11 H new ATOM 0 HG3 LYS A 1 -21.132 -10.220 -14.766 1.00 2.11 H new ATOM 0 HD2 LYS A 1 -20.077 -12.341 -13.931 1.00 3.00 H new ATOM 0 HD3 LYS A 1 -21.198 -12.348 -12.584 1.00 3.00 H new ATOM 0 HE2 LYS A 1 -22.032 -13.828 -14.323 1.00 10.51 H new ATOM 0 HE3 LYS A 1 -23.109 -12.455 -14.170 1.00 10.51 H new ATOM 0 HZ1 LYS A 1 -22.524 -13.115 -16.489 1.00 23.24 H new ATOM 0 HZ2 LYS A 1 -22.237 -11.481 -16.124 1.00 23.24 H new ATOM 0 HZ3 LYS A 1 -20.941 -12.575 -16.194 1.00 23.24 H new ATOM 25 N PRO A 2 -19.202 -7.237 -10.972 1.00 61.14 N ATOM 26 CA PRO A 2 -18.113 -6.821 -10.101 1.00 2.11 C ATOM 27 C PRO A 2 -17.238 -8.023 -9.754 1.00 55.23 C ATOM 28 O PRO A 2 -17.711 -9.002 -9.164 1.00 31.14 O ATOM 29 CB PRO A 2 -18.827 -6.296 -8.848 1.00 74.34 C ATOM 30 CG PRO A 2 -20.199 -5.966 -9.308 1.00 33.42 C ATOM 31 CD PRO A 2 -20.519 -6.955 -10.380 1.00 14.30 C ATOM 0 HA PRO A 2 -17.460 -6.076 -10.555 1.00 2.11 H new ATOM 0 HB2 PRO A 2 -18.844 -7.047 -8.058 1.00 74.34 H new ATOM 0 HB3 PRO A 2 -18.323 -5.418 -8.443 1.00 74.34 H new ATOM 0 HG2 PRO A 2 -20.913 -6.034 -8.487 1.00 33.42 H new ATOM 0 HG3 PRO A 2 -20.249 -4.946 -9.690 1.00 33.42 H new ATOM 0 HD2 PRO A 2 -20.980 -7.855 -9.974 1.00 14.30 H new ATOM 0 HD3 PRO A 2 -21.212 -6.545 -11.114 1.00 14.30 H new ATOM 39 N VAL A 3 -15.983 -7.959 -10.141 1.00 40.40 N ATOM 40 CA VAL A 3 -15.062 -9.065 -9.937 1.00 50.13 C ATOM 41 C VAL A 3 -14.518 -9.117 -8.518 1.00 63.31 C ATOM 42 O VAL A 3 -13.885 -10.095 -8.117 1.00 33.33 O ATOM 43 CB VAL A 3 -13.907 -9.076 -10.975 1.00 72.25 C ATOM 44 CG1 VAL A 3 -14.456 -9.300 -12.376 1.00 55.52 C ATOM 45 CG2 VAL A 3 -13.119 -7.774 -10.925 1.00 24.32 C ATOM 0 H VAL A 3 -15.571 -7.148 -10.602 1.00 40.40 H new ATOM 0 HA VAL A 3 -15.650 -9.969 -10.093 1.00 50.13 H new ATOM 0 HB VAL A 3 -13.234 -9.896 -10.723 1.00 72.25 H new ATOM 0 HG11 VAL A 3 -13.634 -9.305 -13.092 1.00 55.52 H new ATOM 0 HG12 VAL A 3 -14.977 -10.257 -12.414 1.00 55.52 H new ATOM 0 HG13 VAL A 3 -15.151 -8.499 -12.627 1.00 55.52 H new ATOM 0 HG21 VAL A 3 -12.316 -7.806 -11.661 1.00 24.32 H new ATOM 0 HG22 VAL A 3 -13.782 -6.938 -11.148 1.00 24.32 H new ATOM 0 HG23 VAL A 3 -12.694 -7.644 -9.930 1.00 24.32 H new ATOM 55 N SER A 4 -14.764 -8.088 -7.772 1.00 10.11 N ATOM 56 CA SER A 4 -14.336 -8.040 -6.409 1.00 3.14 C ATOM 57 C SER A 4 -15.472 -8.548 -5.533 1.00 30.02 C ATOM 58 O SER A 4 -16.483 -7.865 -5.338 1.00 72.51 O ATOM 59 CB SER A 4 -13.930 -6.612 -6.027 1.00 12.34 C ATOM 60 OG SER A 4 -13.355 -6.553 -4.733 1.00 70.25 O ATOM 0 H SER A 4 -15.266 -7.258 -8.089 1.00 10.11 H new ATOM 0 HA SER A 4 -13.460 -8.673 -6.265 1.00 3.14 H new ATOM 0 HB2 SER A 4 -13.218 -6.229 -6.758 1.00 12.34 H new ATOM 0 HB3 SER A 4 -14.805 -5.964 -6.065 1.00 12.34 H new ATOM 0 HG SER A 4 -13.201 -5.617 -4.486 1.00 70.25 H new ATOM 66 N LEU A 5 -15.328 -9.749 -5.056 1.00 65.52 N ATOM 67 CA LEU A 5 -16.343 -10.381 -4.252 1.00 53.21 C ATOM 68 C LEU A 5 -15.988 -10.276 -2.781 1.00 32.33 C ATOM 69 O LEU A 5 -16.714 -9.666 -1.988 1.00 3.23 O ATOM 70 CB LEU A 5 -16.480 -11.861 -4.643 1.00 41.32 C ATOM 71 CG LEU A 5 -16.846 -12.153 -6.103 1.00 42.30 C ATOM 72 CD1 LEU A 5 -16.890 -13.650 -6.347 1.00 24.33 C ATOM 73 CD2 LEU A 5 -18.182 -11.522 -6.461 1.00 61.11 C ATOM 0 H LEU A 5 -14.500 -10.324 -5.212 1.00 65.52 H new ATOM 0 HA LEU A 5 -17.291 -9.873 -4.428 1.00 53.21 H new ATOM 0 HB2 LEU A 5 -15.537 -12.361 -4.421 1.00 41.32 H new ATOM 0 HB3 LEU A 5 -17.239 -12.314 -4.004 1.00 41.32 H new ATOM 0 HG LEU A 5 -16.078 -11.716 -6.741 1.00 42.30 H new ATOM 0 HD11 LEU A 5 -17.151 -13.841 -7.388 1.00 24.33 H new ATOM 0 HD12 LEU A 5 -15.913 -14.082 -6.133 1.00 24.33 H new ATOM 0 HD13 LEU A 5 -17.638 -14.103 -5.696 1.00 24.33 H new ATOM 0 HD21 LEU A 5 -18.421 -11.742 -7.501 1.00 61.11 H new ATOM 0 HD22 LEU A 5 -18.961 -11.928 -5.816 1.00 61.11 H new ATOM 0 HD23 LEU A 5 -18.123 -10.442 -6.323 1.00 61.11 H new ATOM 85 N SER A 6 -14.863 -10.832 -2.429 1.00 14.31 N ATOM 86 CA SER A 6 -14.446 -10.884 -1.062 1.00 13.32 C ATOM 87 C SER A 6 -12.982 -10.505 -0.945 1.00 14.42 C ATOM 88 O SER A 6 -12.228 -10.601 -1.919 1.00 41.32 O ATOM 89 CB SER A 6 -14.687 -12.296 -0.519 1.00 23.50 C ATOM 90 OG SER A 6 -14.041 -13.275 -1.340 1.00 1.02 O ATOM 0 H SER A 6 -14.211 -11.262 -3.085 1.00 14.31 H new ATOM 0 HA SER A 6 -15.025 -10.172 -0.474 1.00 13.32 H new ATOM 0 HB2 SER A 6 -14.312 -12.367 0.502 1.00 23.50 H new ATOM 0 HB3 SER A 6 -15.758 -12.497 -0.480 1.00 23.50 H new ATOM 0 HG SER A 6 -14.206 -14.169 -0.974 1.00 1.02 H new ATOM 96 N TYR A 7 -12.576 -10.075 0.211 1.00 63.02 N ATOM 97 CA TYR A 7 -11.218 -9.731 0.408 1.00 53.03 C ATOM 98 C TYR A 7 -10.556 -10.621 1.421 1.00 74.21 C ATOM 99 O TYR A 7 -10.795 -10.536 2.617 1.00 45.13 O ATOM 100 CB TYR A 7 -10.995 -8.217 0.671 1.00 33.43 C ATOM 101 CG TYR A 7 -11.679 -7.617 1.884 1.00 74.33 C ATOM 102 CD1 TYR A 7 -12.985 -7.163 1.818 1.00 54.44 C ATOM 103 CD2 TYR A 7 -11.003 -7.485 3.086 1.00 15.42 C ATOM 104 CE1 TYR A 7 -13.599 -6.600 2.917 1.00 23.13 C ATOM 105 CE2 TYR A 7 -11.607 -6.922 4.190 1.00 25.51 C ATOM 106 CZ TYR A 7 -12.908 -6.482 4.099 1.00 73.21 C ATOM 107 OH TYR A 7 -13.522 -5.915 5.197 1.00 41.01 O ATOM 0 H TYR A 7 -13.174 -9.957 1.029 1.00 63.02 H new ATOM 0 HA TYR A 7 -10.713 -9.918 -0.539 1.00 53.03 H new ATOM 0 HB2 TYR A 7 -9.923 -8.045 0.768 1.00 33.43 H new ATOM 0 HB3 TYR A 7 -11.327 -7.668 -0.210 1.00 33.43 H new ATOM 0 HD1 TYR A 7 -13.532 -7.251 0.891 1.00 54.44 H new ATOM 0 HD2 TYR A 7 -9.982 -7.830 3.160 1.00 15.42 H new ATOM 0 HE1 TYR A 7 -14.619 -6.253 2.849 1.00 23.13 H new ATOM 0 HE2 TYR A 7 -11.064 -6.827 5.119 1.00 25.51 H new ATOM 0 HH TYR A 7 -12.898 -5.907 5.953 1.00 41.01 H new ATOM 117 N ARG A 8 -9.746 -11.503 0.911 1.00 70.14 N ATOM 118 CA ARG A 8 -8.948 -12.397 1.728 1.00 3.31 C ATOM 119 C ARG A 8 -7.571 -11.799 1.928 1.00 5.42 C ATOM 120 O ARG A 8 -6.671 -12.397 2.522 1.00 2.21 O ATOM 121 CB ARG A 8 -8.888 -13.853 1.179 1.00 32.04 C ATOM 122 CG ARG A 8 -8.612 -14.027 -0.323 1.00 33.32 C ATOM 123 CD ARG A 8 -9.864 -13.748 -1.158 1.00 21.42 C ATOM 124 NE ARG A 8 -9.632 -13.905 -2.589 1.00 12.12 N ATOM 125 CZ ARG A 8 -10.594 -13.801 -3.527 1.00 3.51 C ATOM 126 NH1 ARG A 8 -11.856 -13.534 -3.181 1.00 52.03 N ATOM 127 NH2 ARG A 8 -10.296 -13.968 -4.803 1.00 74.25 N ATOM 0 H ARG A 8 -9.613 -11.630 -0.092 1.00 70.14 H new ATOM 0 HA ARG A 8 -9.439 -12.491 2.696 1.00 3.31 H new ATOM 0 HB2 ARG A 8 -8.115 -14.390 1.729 1.00 32.04 H new ATOM 0 HB3 ARG A 8 -9.837 -14.339 1.407 1.00 32.04 H new ATOM 0 HG2 ARG A 8 -7.812 -13.352 -0.628 1.00 33.32 H new ATOM 0 HG3 ARG A 8 -8.264 -15.042 -0.515 1.00 33.32 H new ATOM 0 HD2 ARG A 8 -10.661 -14.423 -0.847 1.00 21.42 H new ATOM 0 HD3 ARG A 8 -10.210 -12.734 -0.959 1.00 21.42 H new ATOM 0 HE ARG A 8 -8.682 -14.106 -2.900 1.00 12.12 H new ATOM 0 HH11 ARG A 8 -12.099 -13.407 -2.199 1.00 52.03 H new ATOM 0 HH12 ARG A 8 -12.576 -13.457 -3.899 1.00 52.03 H new ATOM 0 HH21 ARG A 8 -9.337 -14.176 -5.080 1.00 74.25 H new ATOM 0 HH22 ARG A 8 -11.025 -13.889 -5.512 1.00 74.25 H new ATOM 141 N CYS A 9 -7.441 -10.607 1.444 1.00 75.11 N ATOM 142 CA CYS A 9 -6.271 -9.815 1.605 1.00 40.44 C ATOM 143 C CYS A 9 -6.731 -8.529 2.246 1.00 45.44 C ATOM 144 O CYS A 9 -7.816 -8.042 1.897 1.00 63.23 O ATOM 145 CB CYS A 9 -5.676 -9.472 0.227 1.00 61.31 C ATOM 146 SG CYS A 9 -5.236 -10.888 -0.827 1.00 23.00 S ATOM 0 H CYS A 9 -8.174 -10.144 0.907 1.00 75.11 H new ATOM 0 HA CYS A 9 -5.520 -10.340 2.196 1.00 40.44 H new ATOM 0 HB2 CYS A 9 -6.393 -8.852 -0.312 1.00 61.31 H new ATOM 0 HB3 CYS A 9 -4.782 -8.867 0.380 1.00 61.31 H new ATOM 151 N PRO A 10 -5.974 -7.968 3.212 1.00 41.10 N ATOM 152 CA PRO A 10 -6.279 -6.645 3.766 1.00 53.11 C ATOM 153 C PRO A 10 -6.238 -5.606 2.648 1.00 44.23 C ATOM 154 O PRO A 10 -6.950 -4.600 2.669 1.00 51.43 O ATOM 155 CB PRO A 10 -5.151 -6.393 4.782 1.00 64.15 C ATOM 156 CG PRO A 10 -4.117 -7.433 4.503 1.00 12.04 C ATOM 157 CD PRO A 10 -4.834 -8.595 3.885 1.00 31.21 C ATOM 0 HA PRO A 10 -7.266 -6.586 4.225 1.00 53.11 H new ATOM 0 HB2 PRO A 10 -4.739 -5.390 4.669 1.00 64.15 H new ATOM 0 HB3 PRO A 10 -5.520 -6.472 5.805 1.00 64.15 H new ATOM 0 HG2 PRO A 10 -3.352 -7.047 3.830 1.00 12.04 H new ATOM 0 HG3 PRO A 10 -3.612 -7.733 5.421 1.00 12.04 H new ATOM 0 HD2 PRO A 10 -4.198 -9.133 3.182 1.00 31.21 H new ATOM 0 HD3 PRO A 10 -5.157 -9.315 4.637 1.00 31.21 H new ATOM 165 N CYS A 11 -5.399 -5.878 1.662 1.00 3.24 N ATOM 166 CA CYS A 11 -5.324 -5.072 0.489 1.00 62.42 C ATOM 167 C CYS A 11 -5.687 -5.868 -0.732 1.00 54.12 C ATOM 168 O CYS A 11 -4.853 -6.499 -1.349 1.00 65.13 O ATOM 169 CB CYS A 11 -3.973 -4.407 0.336 1.00 61.05 C ATOM 170 SG CYS A 11 -3.616 -3.217 1.655 1.00 24.31 S ATOM 0 H CYS A 11 -4.756 -6.670 1.668 1.00 3.24 H new ATOM 0 HA CYS A 11 -6.055 -4.271 0.600 1.00 62.42 H new ATOM 0 HB2 CYS A 11 -3.197 -5.172 0.325 1.00 61.05 H new ATOM 0 HB3 CYS A 11 -3.932 -3.897 -0.627 1.00 61.05 H new ATOM 175 N ARG A 12 -6.964 -5.920 -0.994 1.00 55.32 N ATOM 176 CA ARG A 12 -7.486 -6.549 -2.192 1.00 32.01 C ATOM 177 C ARG A 12 -7.677 -5.400 -3.173 1.00 23.42 C ATOM 178 O ARG A 12 -7.490 -5.522 -4.364 1.00 44.10 O ATOM 179 CB ARG A 12 -8.825 -7.244 -1.805 1.00 62.45 C ATOM 180 CG ARG A 12 -9.472 -8.320 -2.749 1.00 43.50 C ATOM 181 CD ARG A 12 -10.113 -7.801 -4.042 1.00 73.22 C ATOM 182 NE ARG A 12 -9.164 -7.488 -5.096 1.00 23.32 N ATOM 183 CZ ARG A 12 -9.469 -6.814 -6.210 1.00 1.24 C ATOM 184 NH1 ARG A 12 -10.692 -6.314 -6.375 1.00 23.02 N ATOM 185 NH2 ARG A 12 -8.544 -6.622 -7.145 1.00 21.13 N ATOM 0 H ARG A 12 -7.681 -5.527 -0.384 1.00 55.32 H new ATOM 0 HA ARG A 12 -6.844 -7.311 -2.634 1.00 32.01 H new ATOM 0 HB2 ARG A 12 -8.672 -7.718 -0.836 1.00 62.45 H new ATOM 0 HB3 ARG A 12 -9.565 -6.457 -1.661 1.00 62.45 H new ATOM 0 HG2 ARG A 12 -8.703 -9.045 -3.017 1.00 43.50 H new ATOM 0 HG3 ARG A 12 -10.233 -8.857 -2.183 1.00 43.50 H new ATOM 0 HD2 ARG A 12 -10.815 -8.549 -4.411 1.00 73.22 H new ATOM 0 HD3 ARG A 12 -10.692 -6.906 -3.813 1.00 73.22 H new ATOM 0 HE ARG A 12 -8.201 -7.803 -4.979 1.00 23.32 H new ATOM 0 HH11 ARG A 12 -11.398 -6.445 -5.651 1.00 23.02 H new ATOM 0 HH12 ARG A 12 -10.922 -5.800 -7.225 1.00 23.02 H new ATOM 0 HH21 ARG A 12 -7.601 -6.989 -7.013 1.00 21.13 H new ATOM 0 HH22 ARG A 12 -8.777 -6.108 -7.995 1.00 21.13 H new ATOM 199 N PHE A 13 -7.927 -4.247 -2.616 1.00 33.42 N ATOM 200 CA PHE A 13 -8.153 -3.073 -3.388 1.00 21.25 C ATOM 201 C PHE A 13 -6.880 -2.280 -3.368 1.00 24.32 C ATOM 202 O PHE A 13 -6.279 -2.111 -2.320 1.00 55.33 O ATOM 203 CB PHE A 13 -9.262 -2.236 -2.760 1.00 61.45 C ATOM 204 CG PHE A 13 -10.537 -2.987 -2.510 1.00 45.13 C ATOM 205 CD1 PHE A 13 -11.469 -3.150 -3.515 1.00 2.24 C ATOM 206 CD2 PHE A 13 -10.801 -3.530 -1.258 1.00 32.24 C ATOM 207 CE1 PHE A 13 -12.639 -3.840 -3.282 1.00 33.23 C ATOM 208 CE2 PHE A 13 -11.969 -4.221 -1.020 1.00 43.40 C ATOM 209 CZ PHE A 13 -12.889 -4.375 -2.032 1.00 15.44 C ATOM 0 H PHE A 13 -7.978 -4.103 -1.608 1.00 33.42 H new ATOM 0 HA PHE A 13 -8.447 -3.338 -4.404 1.00 21.25 H new ATOM 0 HB2 PHE A 13 -8.903 -1.829 -1.815 1.00 61.45 H new ATOM 0 HB3 PHE A 13 -9.475 -1.389 -3.412 1.00 61.45 H new ATOM 0 HD1 PHE A 13 -11.280 -2.733 -4.493 1.00 2.24 H new ATOM 0 HD2 PHE A 13 -10.082 -3.409 -0.462 1.00 32.24 H new ATOM 0 HE1 PHE A 13 -13.361 -3.963 -4.076 1.00 33.23 H new ATOM 0 HE2 PHE A 13 -12.162 -4.640 -0.043 1.00 43.40 H new ATOM 0 HZ PHE A 13 -13.807 -4.914 -1.849 1.00 15.44 H new ATOM 219 N PHE A 14 -6.461 -1.839 -4.503 1.00 14.41 N ATOM 220 CA PHE A 14 -5.244 -1.090 -4.635 1.00 33.15 C ATOM 221 C PHE A 14 -5.493 0.205 -5.358 1.00 41.02 C ATOM 222 O PHE A 14 -6.329 0.271 -6.274 1.00 53.51 O ATOM 223 CB PHE A 14 -4.186 -1.884 -5.392 1.00 41.04 C ATOM 224 CG PHE A 14 -3.694 -3.103 -4.684 1.00 64.20 C ATOM 225 CD1 PHE A 14 -2.890 -2.971 -3.583 1.00 61.32 C ATOM 226 CD2 PHE A 14 -4.006 -4.367 -5.134 1.00 63.31 C ATOM 227 CE1 PHE A 14 -2.400 -4.062 -2.932 1.00 72.14 C ATOM 228 CE2 PHE A 14 -3.520 -5.482 -4.484 1.00 23.43 C ATOM 229 CZ PHE A 14 -2.710 -5.327 -3.377 1.00 72.42 C ATOM 0 H PHE A 14 -6.956 -1.987 -5.383 1.00 14.41 H new ATOM 0 HA PHE A 14 -4.881 -0.883 -3.628 1.00 33.15 H new ATOM 0 HB2 PHE A 14 -4.596 -2.182 -6.357 1.00 41.04 H new ATOM 0 HB3 PHE A 14 -3.337 -1.231 -5.595 1.00 41.04 H new ATOM 0 HD1 PHE A 14 -2.640 -1.983 -3.225 1.00 61.32 H new ATOM 0 HD2 PHE A 14 -4.636 -4.486 -6.003 1.00 63.31 H new ATOM 0 HE1 PHE A 14 -1.768 -3.935 -2.066 1.00 72.14 H new ATOM 0 HE2 PHE A 14 -3.772 -6.470 -4.839 1.00 23.43 H new ATOM 0 HZ PHE A 14 -2.322 -6.194 -2.863 1.00 72.42 H new ATOM 239 N GLU A 15 -4.798 1.223 -4.946 1.00 31.53 N ATOM 240 CA GLU A 15 -4.869 2.499 -5.567 1.00 24.32 C ATOM 241 C GLU A 15 -3.521 2.826 -6.214 1.00 35.24 C ATOM 242 O GLU A 15 -2.462 2.540 -5.645 1.00 21.53 O ATOM 243 CB GLU A 15 -5.285 3.566 -4.538 1.00 24.31 C ATOM 244 CG GLU A 15 -5.438 4.961 -5.117 1.00 30.21 C ATOM 245 CD GLU A 15 -6.341 4.978 -6.322 1.00 14.34 C ATOM 246 OE1 GLU A 15 -7.572 5.043 -6.163 1.00 31.11 O ATOM 247 OE2 GLU A 15 -5.814 4.916 -7.451 1.00 11.01 O ATOM 0 H GLU A 15 -4.156 1.183 -4.154 1.00 31.53 H new ATOM 0 HA GLU A 15 -5.627 2.489 -6.350 1.00 24.32 H new ATOM 0 HB2 GLU A 15 -6.230 3.268 -4.083 1.00 24.31 H new ATOM 0 HB3 GLU A 15 -4.542 3.595 -3.741 1.00 24.31 H new ATOM 0 HG2 GLU A 15 -5.840 5.628 -4.354 1.00 30.21 H new ATOM 0 HG3 GLU A 15 -4.457 5.348 -5.394 1.00 30.21 H new ATOM 254 N SER A 16 -3.571 3.401 -7.388 1.00 31.11 N ATOM 255 CA SER A 16 -2.384 3.723 -8.137 1.00 73.24 C ATOM 256 C SER A 16 -2.172 5.241 -8.146 1.00 12.31 C ATOM 257 O SER A 16 -1.098 5.737 -8.487 1.00 22.53 O ATOM 258 CB SER A 16 -2.552 3.223 -9.567 1.00 23.11 C ATOM 259 OG SER A 16 -2.919 1.843 -9.596 1.00 32.12 O ATOM 0 H SER A 16 -4.441 3.660 -7.854 1.00 31.11 H new ATOM 0 HA SER A 16 -1.519 3.246 -7.676 1.00 73.24 H new ATOM 0 HB2 SER A 16 -3.314 3.815 -10.074 1.00 23.11 H new ATOM 0 HB3 SER A 16 -1.621 3.365 -10.116 1.00 23.11 H new ATOM 0 HG SER A 16 -3.021 1.551 -10.526 1.00 32.12 H new ATOM 265 N HIS A 17 -3.202 5.973 -7.746 1.00 25.32 N ATOM 266 CA HIS A 17 -3.167 7.440 -7.757 1.00 21.03 C ATOM 267 C HIS A 17 -2.445 8.001 -6.534 1.00 13.43 C ATOM 268 O HIS A 17 -2.321 9.217 -6.377 1.00 30.23 O ATOM 269 CB HIS A 17 -4.585 8.031 -7.837 1.00 64.44 C ATOM 270 CG HIS A 17 -5.365 7.608 -9.047 1.00 42.23 C ATOM 271 ND1 HIS A 17 -6.731 7.474 -9.050 1.00 51.04 N ATOM 272 CD2 HIS A 17 -4.960 7.309 -10.305 1.00 51.51 C ATOM 273 CE1 HIS A 17 -7.136 7.118 -10.244 1.00 23.33 C ATOM 274 NE2 HIS A 17 -6.080 7.012 -11.029 1.00 45.03 N ATOM 0 H HIS A 17 -4.079 5.578 -7.407 1.00 25.32 H new ATOM 0 HA HIS A 17 -2.610 7.732 -8.647 1.00 21.03 H new ATOM 0 HB2 HIS A 17 -5.138 7.740 -6.944 1.00 64.44 H new ATOM 0 HB3 HIS A 17 -4.513 9.119 -7.828 1.00 64.44 H new ATOM 0 HD2 HIS A 17 -3.943 7.306 -10.667 1.00 51.51 H new ATOM 0 HE1 HIS A 17 -8.160 6.941 -10.537 1.00 23.33 H new ATOM 0 HE2 HIS A 17 -6.097 6.751 -12.015 1.00 45.03 H new ATOM 283 N VAL A 18 -1.973 7.119 -5.685 1.00 12.21 N ATOM 284 CA VAL A 18 -1.280 7.495 -4.483 1.00 10.33 C ATOM 285 C VAL A 18 0.044 8.211 -4.808 1.00 63.42 C ATOM 286 O VAL A 18 0.863 7.707 -5.581 1.00 50.31 O ATOM 287 CB VAL A 18 -0.992 6.251 -3.614 1.00 34.44 C ATOM 288 CG1 VAL A 18 -0.325 6.645 -2.328 1.00 13.04 C ATOM 289 CG2 VAL A 18 -2.274 5.486 -3.331 1.00 62.11 C ATOM 0 H VAL A 18 -2.062 6.111 -5.814 1.00 12.21 H new ATOM 0 HA VAL A 18 -1.923 8.181 -3.931 1.00 10.33 H new ATOM 0 HB VAL A 18 -0.316 5.600 -4.168 1.00 34.44 H new ATOM 0 HG11 VAL A 18 -0.131 5.754 -1.731 1.00 13.04 H new ATOM 0 HG12 VAL A 18 0.617 7.148 -2.546 1.00 13.04 H new ATOM 0 HG13 VAL A 18 -0.976 7.320 -1.772 1.00 13.04 H new ATOM 0 HG21 VAL A 18 -2.049 4.613 -2.718 1.00 62.11 H new ATOM 0 HG22 VAL A 18 -2.974 6.132 -2.801 1.00 62.11 H new ATOM 0 HG23 VAL A 18 -2.720 5.163 -4.272 1.00 62.11 H new ATOM 299 N ALA A 19 0.218 9.387 -4.240 1.00 61.01 N ATOM 300 CA ALA A 19 1.432 10.162 -4.408 1.00 40.22 C ATOM 301 C ALA A 19 2.216 10.134 -3.114 1.00 14.11 C ATOM 302 O ALA A 19 1.647 10.375 -2.049 1.00 54.02 O ATOM 303 CB ALA A 19 1.094 11.594 -4.773 1.00 32.41 C ATOM 0 H ALA A 19 -0.481 9.834 -3.647 1.00 61.01 H new ATOM 0 HA ALA A 19 2.029 9.731 -5.212 1.00 40.22 H new ATOM 0 HB1 ALA A 19 2.014 12.165 -4.896 1.00 32.41 H new ATOM 0 HB2 ALA A 19 0.530 11.608 -5.706 1.00 32.41 H new ATOM 0 HB3 ALA A 19 0.494 12.040 -3.980 1.00 32.41 H new ATOM 309 N ARG A 20 3.516 9.875 -3.203 1.00 45.04 N ATOM 310 CA ARG A 20 4.383 9.732 -2.017 1.00 41.55 C ATOM 311 C ARG A 20 4.394 10.983 -1.132 1.00 54.24 C ATOM 312 O ARG A 20 4.499 10.883 0.086 1.00 33.11 O ATOM 313 CB ARG A 20 5.805 9.319 -2.430 1.00 70.25 C ATOM 314 CG ARG A 20 6.787 9.143 -1.277 1.00 44.41 C ATOM 315 CD ARG A 20 8.120 8.572 -1.759 1.00 54.24 C ATOM 316 NE ARG A 20 8.776 9.404 -2.777 1.00 44.22 N ATOM 317 CZ ARG A 20 9.755 8.978 -3.611 1.00 4.23 C ATOM 318 NH1 ARG A 20 10.127 7.695 -3.625 1.00 32.54 N ATOM 319 NH2 ARG A 20 10.327 9.835 -4.446 1.00 54.44 N ATOM 0 H ARG A 20 4.006 9.757 -4.090 1.00 45.04 H new ATOM 0 HA ARG A 20 3.957 8.936 -1.406 1.00 41.55 H new ATOM 0 HB2 ARG A 20 5.748 8.382 -2.985 1.00 70.25 H new ATOM 0 HB3 ARG A 20 6.201 10.070 -3.113 1.00 70.25 H new ATOM 0 HG2 ARG A 20 6.956 10.104 -0.792 1.00 44.41 H new ATOM 0 HG3 ARG A 20 6.355 8.479 -0.528 1.00 44.41 H new ATOM 0 HD2 ARG A 20 8.789 8.460 -0.906 1.00 54.24 H new ATOM 0 HD3 ARG A 20 7.954 7.575 -2.167 1.00 54.24 H new ATOM 0 HE ARG A 20 8.472 10.374 -2.862 1.00 44.22 H new ATOM 0 HH11 ARG A 20 9.673 7.026 -3.004 1.00 32.54 H new ATOM 0 HH12 ARG A 20 10.865 7.385 -4.257 1.00 32.54 H new ATOM 0 HH21 ARG A 20 10.029 10.811 -4.459 1.00 54.44 H new ATOM 0 HH22 ARG A 20 11.064 9.519 -5.076 1.00 54.44 H new ATOM 333 N ALA A 21 4.247 12.140 -1.738 1.00 64.04 N ATOM 334 CA ALA A 21 4.236 13.396 -0.999 1.00 43.24 C ATOM 335 C ALA A 21 2.962 13.543 -0.165 1.00 50.24 C ATOM 336 O ALA A 21 2.924 14.311 0.781 1.00 11.14 O ATOM 337 CB ALA A 21 4.390 14.578 -1.946 1.00 32.23 C ATOM 0 H ALA A 21 4.132 12.244 -2.746 1.00 64.04 H new ATOM 0 HA ALA A 21 5.084 13.384 -0.315 1.00 43.24 H new ATOM 0 HB1 ALA A 21 4.379 15.506 -1.374 1.00 32.23 H new ATOM 0 HB2 ALA A 21 5.335 14.493 -2.483 1.00 32.23 H new ATOM 0 HB3 ALA A 21 3.566 14.582 -2.660 1.00 32.23 H new ATOM 343 N ASN A 22 1.940 12.785 -0.511 1.00 50.53 N ATOM 344 CA ASN A 22 0.650 12.851 0.185 1.00 65.20 C ATOM 345 C ASN A 22 0.607 11.731 1.235 1.00 72.54 C ATOM 346 O ASN A 22 -0.185 11.763 2.187 1.00 13.24 O ATOM 347 CB ASN A 22 -0.481 12.674 -0.864 1.00 5.35 C ATOM 348 CG ASN A 22 -1.912 13.023 -0.400 1.00 32.11 C ATOM 349 OD1 ASN A 22 -2.719 13.465 -1.198 1.00 54.24 O ATOM 350 ND2 ASN A 22 -2.231 12.841 0.841 1.00 20.53 N ATOM 0 H ASN A 22 1.969 12.109 -1.274 1.00 50.53 H new ATOM 0 HA ASN A 22 0.518 13.809 0.688 1.00 65.20 H new ATOM 0 HB2 ASN A 22 -0.243 13.292 -1.730 1.00 5.35 H new ATOM 0 HB3 ASN A 22 -0.475 11.637 -1.201 1.00 5.35 H new ATOM 0 HD21 ASN A 22 -3.171 13.069 1.165 1.00 20.53 H new ATOM 0 HD22 ASN A 22 -1.542 12.470 1.495 1.00 20.53 H new ATOM 357 N VAL A 23 1.475 10.760 1.065 1.00 51.12 N ATOM 358 CA VAL A 23 1.563 9.635 1.973 1.00 30.13 C ATOM 359 C VAL A 23 2.331 10.051 3.215 1.00 52.52 C ATOM 360 O VAL A 23 3.439 10.594 3.115 1.00 41.23 O ATOM 361 CB VAL A 23 2.290 8.429 1.312 1.00 42.15 C ATOM 362 CG1 VAL A 23 2.324 7.239 2.247 1.00 12.34 C ATOM 363 CG2 VAL A 23 1.629 8.053 0.015 1.00 71.34 C ATOM 0 H VAL A 23 2.141 10.726 0.293 1.00 51.12 H new ATOM 0 HA VAL A 23 0.550 9.329 2.233 1.00 30.13 H new ATOM 0 HB VAL A 23 3.316 8.732 1.103 1.00 42.15 H new ATOM 0 HG11 VAL A 23 2.837 6.409 1.761 1.00 12.34 H new ATOM 0 HG12 VAL A 23 2.854 7.509 3.160 1.00 12.34 H new ATOM 0 HG13 VAL A 23 1.305 6.941 2.493 1.00 12.34 H new ATOM 0 HG21 VAL A 23 2.154 7.208 -0.429 1.00 71.34 H new ATOM 0 HG22 VAL A 23 0.591 7.778 0.202 1.00 71.34 H new ATOM 0 HG23 VAL A 23 1.662 8.901 -0.669 1.00 71.34 H new ATOM 373 N LYS A 24 1.750 9.823 4.370 1.00 4.44 N ATOM 374 CA LYS A 24 2.395 10.166 5.611 1.00 20.42 C ATOM 375 C LYS A 24 3.455 9.136 5.901 1.00 2.42 C ATOM 376 O LYS A 24 4.619 9.454 6.121 1.00 33.25 O ATOM 377 CB LYS A 24 1.367 10.178 6.735 1.00 45.42 C ATOM 378 CG LYS A 24 1.837 10.735 7.989 1.00 15.43 C ATOM 379 CD LYS A 24 0.687 10.859 8.935 1.00 53.01 C ATOM 380 CE LYS A 24 1.128 11.612 10.098 1.00 60.12 C ATOM 381 NZ LYS A 24 0.089 11.718 11.142 1.00 22.23 N ATOM 0 H LYS A 24 0.828 9.400 4.474 1.00 4.44 H new ATOM 0 HA LYS A 24 2.848 11.155 5.537 1.00 20.42 H new ATOM 0 HB2 LYS A 24 0.497 10.746 6.406 1.00 45.42 H new ATOM 0 HB3 LYS A 24 1.032 9.156 6.912 1.00 45.42 H new ATOM 0 HG2 LYS A 24 2.609 10.096 8.418 1.00 15.43 H new ATOM 0 HG3 LYS A 24 2.290 11.712 7.819 1.00 15.43 H new ATOM 0 HD2 LYS A 24 -0.149 11.364 8.451 1.00 53.01 H new ATOM 0 HD3 LYS A 24 0.334 9.872 9.234 1.00 53.01 H new ATOM 0 HE2 LYS A 24 2.012 11.134 10.520 1.00 60.12 H new ATOM 0 HE3 LYS A 24 1.425 12.613 9.785 1.00 60.12 H new ATOM 0 HZ1 LYS A 24 0.459 12.264 11.946 1.00 22.23 H new ATOM 0 HZ2 LYS A 24 -0.747 12.198 10.752 1.00 22.23 H new ATOM 0 HZ3 LYS A 24 -0.178 10.766 11.464 1.00 22.23 H new ATOM 395 N ARG A 25 3.032 7.913 5.884 1.00 14.22 N ATOM 396 CA ARG A 25 3.895 6.785 6.098 1.00 30.12 C ATOM 397 C ARG A 25 3.263 5.588 5.408 1.00 60.41 C ATOM 398 O ARG A 25 2.021 5.525 5.293 1.00 14.32 O ATOM 399 CB ARG A 25 4.068 6.531 7.613 1.00 72.44 C ATOM 400 CG ARG A 25 5.051 5.424 7.967 1.00 74.23 C ATOM 401 CD ARG A 25 6.424 5.735 7.415 1.00 22.53 C ATOM 402 NE ARG A 25 7.421 4.734 7.770 1.00 24.52 N ATOM 403 CZ ARG A 25 8.676 4.732 7.316 1.00 44.22 C ATOM 404 NH1 ARG A 25 9.052 5.630 6.408 1.00 42.24 N ATOM 405 NH2 ARG A 25 9.546 3.819 7.739 1.00 54.32 N ATOM 0 H ARG A 25 2.058 7.660 5.718 1.00 14.22 H new ATOM 0 HA ARG A 25 4.887 6.968 5.685 1.00 30.12 H new ATOM 0 HB2 ARG A 25 4.398 7.456 8.087 1.00 72.44 H new ATOM 0 HB3 ARG A 25 3.096 6.284 8.039 1.00 72.44 H new ATOM 0 HG2 ARG A 25 5.105 5.311 9.050 1.00 74.23 H new ATOM 0 HG3 ARG A 25 4.698 4.474 7.565 1.00 74.23 H new ATOM 0 HD2 ARG A 25 6.364 5.811 6.329 1.00 22.53 H new ATOM 0 HD3 ARG A 25 6.746 6.708 7.785 1.00 22.53 H new ATOM 0 HE ARG A 25 7.142 3.987 8.406 1.00 24.52 H new ATOM 0 HH11 ARG A 25 8.382 6.316 6.062 1.00 42.24 H new ATOM 0 HH12 ARG A 25 10.010 5.632 6.059 1.00 42.24 H new ATOM 0 HH21 ARG A 25 9.256 3.113 8.416 1.00 54.32 H new ATOM 0 HH22 ARG A 25 10.503 3.825 7.387 1.00 54.32 H new ATOM 419 N LEU A 26 4.072 4.672 4.928 1.00 23.45 N ATOM 420 CA LEU A 26 3.560 3.507 4.257 1.00 54.01 C ATOM 421 C LEU A 26 4.404 2.299 4.574 1.00 21.23 C ATOM 422 O LEU A 26 5.554 2.428 4.999 1.00 62.44 O ATOM 423 CB LEU A 26 3.510 3.677 2.728 1.00 41.33 C ATOM 424 CG LEU A 26 4.836 3.781 1.974 1.00 73.43 C ATOM 425 CD1 LEU A 26 4.589 3.593 0.519 1.00 31.25 C ATOM 426 CD2 LEU A 26 5.501 5.122 2.179 1.00 12.12 C ATOM 0 H LEU A 26 5.089 4.714 4.992 1.00 23.45 H new ATOM 0 HA LEU A 26 2.542 3.370 4.622 1.00 54.01 H new ATOM 0 HB2 LEU A 26 2.957 2.833 2.316 1.00 41.33 H new ATOM 0 HB3 LEU A 26 2.931 4.574 2.510 1.00 41.33 H new ATOM 0 HG LEU A 26 5.498 3.007 2.364 1.00 73.43 H new ATOM 0 HD11 LEU A 26 5.532 3.666 -0.023 1.00 31.25 H new ATOM 0 HD12 LEU A 26 4.148 2.611 0.349 1.00 31.25 H new ATOM 0 HD13 LEU A 26 3.905 4.364 0.163 1.00 31.25 H new ATOM 0 HD21 LEU A 26 6.439 5.151 1.625 1.00 12.12 H new ATOM 0 HD22 LEU A 26 4.843 5.913 1.820 1.00 12.12 H new ATOM 0 HD23 LEU A 26 5.701 5.270 3.240 1.00 12.12 H new ATOM 438 N LYS A 27 3.831 1.139 4.365 1.00 63.04 N ATOM 439 CA LYS A 27 4.510 -0.121 4.559 1.00 24.44 C ATOM 440 C LYS A 27 4.121 -1.078 3.480 1.00 24.11 C ATOM 441 O LYS A 27 3.019 -0.989 2.920 1.00 13.44 O ATOM 442 CB LYS A 27 4.182 -0.750 5.915 1.00 24.11 C ATOM 443 CG LYS A 27 4.723 -0.004 7.095 1.00 43.13 C ATOM 444 CD LYS A 27 4.254 -0.626 8.395 1.00 52.32 C ATOM 445 CE LYS A 27 4.792 0.118 9.596 1.00 51.20 C ATOM 446 NZ LYS A 27 4.350 -0.496 10.861 1.00 54.43 N ATOM 0 H LYS A 27 2.866 1.041 4.051 1.00 63.04 H new ATOM 0 HA LYS A 27 5.580 0.082 4.526 1.00 24.44 H new ATOM 0 HB2 LYS A 27 3.099 -0.824 6.014 1.00 24.11 H new ATOM 0 HB3 LYS A 27 4.574 -1.767 5.934 1.00 24.11 H new ATOM 0 HG2 LYS A 27 5.812 -0.004 7.061 1.00 43.13 H new ATOM 0 HG3 LYS A 27 4.402 1.037 7.050 1.00 43.13 H new ATOM 0 HD2 LYS A 27 3.164 -0.627 8.426 1.00 52.32 H new ATOM 0 HD3 LYS A 27 4.575 -1.667 8.437 1.00 52.32 H new ATOM 0 HE2 LYS A 27 5.881 0.130 9.559 1.00 51.20 H new ATOM 0 HE3 LYS A 27 4.460 1.156 9.560 1.00 51.20 H new ATOM 0 HZ1 LYS A 27 4.739 0.041 11.662 1.00 54.43 H new ATOM 0 HZ2 LYS A 27 3.311 -0.485 10.908 1.00 54.43 H new ATOM 0 HZ3 LYS A 27 4.688 -1.478 10.907 1.00 54.43 H new ATOM 460 N ILE A 28 5.018 -1.964 3.185 1.00 32.32 N ATOM 461 CA ILE A 28 4.777 -3.024 2.225 1.00 54.34 C ATOM 462 C ILE A 28 4.767 -4.340 2.966 1.00 12.22 C ATOM 463 O ILE A 28 5.787 -4.762 3.514 1.00 21.42 O ATOM 464 CB ILE A 28 5.850 -3.098 1.086 1.00 72.23 C ATOM 465 CG1 ILE A 28 5.900 -1.797 0.281 1.00 52.33 C ATOM 466 CG2 ILE A 28 5.582 -4.287 0.152 1.00 54.23 C ATOM 467 CD1 ILE A 28 6.853 -1.852 -0.905 1.00 14.33 C ATOM 0 H ILE A 28 5.950 -1.983 3.600 1.00 32.32 H new ATOM 0 HA ILE A 28 3.822 -2.812 1.744 1.00 54.34 H new ATOM 0 HB ILE A 28 6.819 -3.242 1.563 1.00 72.23 H new ATOM 0 HG12 ILE A 28 4.898 -1.563 -0.079 1.00 52.33 H new ATOM 0 HG13 ILE A 28 6.200 -0.983 0.940 1.00 52.33 H new ATOM 0 HG21 ILE A 28 6.342 -4.314 -0.629 1.00 54.23 H new ATOM 0 HG22 ILE A 28 5.616 -5.214 0.724 1.00 54.23 H new ATOM 0 HG23 ILE A 28 4.598 -4.178 -0.303 1.00 54.23 H new ATOM 0 HD11 ILE A 28 6.837 -0.896 -1.429 1.00 14.33 H new ATOM 0 HD12 ILE A 28 7.864 -2.055 -0.551 1.00 14.33 H new ATOM 0 HD13 ILE A 28 6.541 -2.644 -1.586 1.00 14.33 H new ATOM 479 N LEU A 29 3.638 -4.966 3.013 1.00 51.43 N ATOM 480 CA LEU A 29 3.516 -6.224 3.670 1.00 72.34 C ATOM 481 C LEU A 29 3.528 -7.311 2.618 1.00 13.34 C ATOM 482 O LEU A 29 2.577 -7.452 1.834 1.00 43.04 O ATOM 483 CB LEU A 29 2.218 -6.276 4.487 1.00 51.43 C ATOM 484 CG LEU A 29 1.992 -7.539 5.328 1.00 1.14 C ATOM 485 CD1 LEU A 29 3.079 -7.686 6.384 1.00 14.24 C ATOM 486 CD2 LEU A 29 0.615 -7.514 5.974 1.00 12.43 C ATOM 0 H LEU A 29 2.774 -4.619 2.597 1.00 51.43 H new ATOM 0 HA LEU A 29 4.347 -6.368 4.360 1.00 72.34 H new ATOM 0 HB2 LEU A 29 2.199 -5.414 5.153 1.00 51.43 H new ATOM 0 HB3 LEU A 29 1.378 -6.167 3.801 1.00 51.43 H new ATOM 0 HG LEU A 29 2.043 -8.403 4.665 1.00 1.14 H new ATOM 0 HD11 LEU A 29 2.899 -8.588 6.969 1.00 14.24 H new ATOM 0 HD12 LEU A 29 4.052 -7.757 5.897 1.00 14.24 H new ATOM 0 HD13 LEU A 29 3.066 -6.818 7.043 1.00 14.24 H new ATOM 0 HD21 LEU A 29 0.474 -8.418 6.566 1.00 12.43 H new ATOM 0 HD22 LEU A 29 0.532 -6.640 6.621 1.00 12.43 H new ATOM 0 HD23 LEU A 29 -0.150 -7.465 5.199 1.00 12.43 H new ATOM 498 N ASN A 30 4.596 -8.049 2.577 1.00 41.42 N ATOM 499 CA ASN A 30 4.749 -9.127 1.628 1.00 15.11 C ATOM 500 C ASN A 30 4.196 -10.402 2.219 1.00 64.30 C ATOM 501 O ASN A 30 4.850 -11.065 3.023 1.00 14.10 O ATOM 502 CB ASN A 30 6.232 -9.325 1.234 1.00 31.14 C ATOM 503 CG ASN A 30 6.862 -8.139 0.530 1.00 63.53 C ATOM 504 OD1 ASN A 30 6.883 -8.166 -0.773 1.00 1.25 O flip ATOM 505 ND2 ASN A 30 7.371 -7.224 1.165 1.00 12.03 N flip ATOM 0 H ASN A 30 5.393 -7.925 3.201 1.00 41.42 H new ATOM 0 HA ASN A 30 4.196 -8.870 0.725 1.00 15.11 H new ATOM 0 HB2 ASN A 30 6.807 -9.544 2.134 1.00 31.14 H new ATOM 0 HB3 ASN A 30 6.309 -10.198 0.586 1.00 31.14 H new ATOM 0 HD21 ASN A 30 7.338 -7.231 2.184 1.00 12.03 H new ATOM 0 HD22 ASN A 30 7.827 -6.455 0.674 1.00 12.03 H new ATOM 512 N THR A 31 2.985 -10.716 1.866 1.00 14.14 N ATOM 513 CA THR A 31 2.355 -11.901 2.348 1.00 4.01 C ATOM 514 C THR A 31 2.609 -13.039 1.366 1.00 51.32 C ATOM 515 O THR A 31 2.594 -12.826 0.162 1.00 62.24 O ATOM 516 CB THR A 31 0.828 -11.692 2.534 1.00 64.15 C ATOM 517 OG1 THR A 31 0.246 -11.178 1.326 1.00 43.42 O ATOM 518 CG2 THR A 31 0.532 -10.741 3.679 1.00 71.23 C ATOM 0 H THR A 31 2.410 -10.156 1.237 1.00 14.14 H new ATOM 0 HA THR A 31 2.779 -12.148 3.321 1.00 4.01 H new ATOM 0 HB THR A 31 0.391 -12.662 2.770 1.00 64.15 H new ATOM 0 HG1 THR A 31 -0.304 -10.394 1.536 1.00 43.42 H new ATOM 0 HG21 THR A 31 -0.546 -10.618 3.780 1.00 71.23 H new ATOM 0 HG22 THR A 31 0.939 -11.148 4.605 1.00 71.23 H new ATOM 0 HG23 THR A 31 0.990 -9.773 3.476 1.00 71.23 H new ATOM 526 N PRO A 32 2.878 -14.253 1.845 1.00 50.13 N ATOM 527 CA PRO A 32 3.074 -15.412 0.964 1.00 31.41 C ATOM 528 C PRO A 32 1.787 -15.761 0.204 1.00 72.31 C ATOM 529 O PRO A 32 1.816 -16.423 -0.826 1.00 32.32 O ATOM 530 CB PRO A 32 3.439 -16.548 1.933 1.00 4.31 C ATOM 531 CG PRO A 32 3.849 -15.869 3.198 1.00 0.12 C ATOM 532 CD PRO A 32 3.058 -14.601 3.262 1.00 43.41 C ATOM 0 HA PRO A 32 3.833 -15.229 0.204 1.00 31.41 H new ATOM 0 HB2 PRO A 32 2.590 -17.211 2.100 1.00 4.31 H new ATOM 0 HB3 PRO A 32 4.248 -17.160 1.535 1.00 4.31 H new ATOM 0 HG2 PRO A 32 3.645 -16.500 4.063 1.00 0.12 H new ATOM 0 HG3 PRO A 32 4.919 -15.662 3.200 1.00 0.12 H new ATOM 0 HD2 PRO A 32 2.103 -14.746 3.767 1.00 43.41 H new ATOM 0 HD3 PRO A 32 3.590 -13.820 3.805 1.00 43.41 H new ATOM 540 N ASN A 33 0.673 -15.281 0.718 1.00 43.15 N ATOM 541 CA ASN A 33 -0.635 -15.561 0.153 1.00 31.21 C ATOM 542 C ASN A 33 -1.099 -14.495 -0.856 1.00 13.33 C ATOM 543 O ASN A 33 -1.698 -14.834 -1.872 1.00 3.14 O ATOM 544 CB ASN A 33 -1.671 -15.728 1.276 1.00 72.03 C ATOM 545 CG ASN A 33 -1.783 -14.495 2.156 1.00 51.44 C ATOM 546 OD1 ASN A 33 -1.037 -14.346 3.116 1.00 25.04 O ATOM 547 ND2 ASN A 33 -2.710 -13.624 1.858 1.00 2.44 N ATOM 0 H ASN A 33 0.647 -14.683 1.544 1.00 43.15 H new ATOM 0 HA ASN A 33 -0.545 -16.493 -0.404 1.00 31.21 H new ATOM 0 HB2 ASN A 33 -2.645 -15.946 0.837 1.00 72.03 H new ATOM 0 HB3 ASN A 33 -1.399 -16.586 1.891 1.00 72.03 H new ATOM 0 HD21 ASN A 33 -2.829 -12.789 2.432 1.00 2.44 H new ATOM 0 HD22 ASN A 33 -3.315 -13.779 1.051 1.00 2.44 H new ATOM 554 N CYS A 34 -0.829 -13.220 -0.596 1.00 21.32 N ATOM 555 CA CYS A 34 -1.331 -12.176 -1.493 1.00 4.10 C ATOM 556 C CYS A 34 -0.153 -11.419 -2.155 1.00 54.13 C ATOM 557 O CYS A 34 -0.332 -10.325 -2.709 1.00 24.51 O ATOM 558 CB CYS A 34 -2.213 -11.197 -0.694 1.00 70.11 C ATOM 559 SG CYS A 34 -3.473 -10.312 -1.678 1.00 71.35 S ATOM 0 H CYS A 34 -0.284 -12.888 0.200 1.00 21.32 H new ATOM 0 HA CYS A 34 -1.926 -12.637 -2.281 1.00 4.10 H new ATOM 0 HB2 CYS A 34 -2.716 -11.750 0.100 1.00 70.11 H new ATOM 0 HB3 CYS A 34 -1.569 -10.462 -0.212 1.00 70.11 H new ATOM 564 N ALA A 35 1.043 -12.024 -2.088 1.00 62.34 N ATOM 565 CA ALA A 35 2.296 -11.489 -2.660 1.00 1.43 C ATOM 566 C ALA A 35 2.789 -10.254 -1.910 1.00 42.10 C ATOM 567 O ALA A 35 3.692 -10.344 -1.081 1.00 4.31 O ATOM 568 CB ALA A 35 2.192 -11.226 -4.165 1.00 4.31 C ATOM 0 H ALA A 35 1.173 -12.923 -1.623 1.00 62.34 H new ATOM 0 HA ALA A 35 3.045 -12.270 -2.528 1.00 1.43 H new ATOM 0 HB1 ALA A 35 3.140 -10.834 -4.532 1.00 4.31 H new ATOM 0 HB2 ALA A 35 1.960 -12.157 -4.682 1.00 4.31 H new ATOM 0 HB3 ALA A 35 1.402 -10.499 -4.354 1.00 4.31 H new ATOM 574 N LEU A 36 2.185 -9.126 -2.181 1.00 40.13 N ATOM 575 CA LEU A 36 2.548 -7.880 -1.559 1.00 2.44 C ATOM 576 C LEU A 36 1.440 -6.858 -1.529 1.00 32.32 C ATOM 577 O LEU A 36 0.793 -6.574 -2.536 1.00 24.33 O ATOM 578 CB LEU A 36 3.933 -7.346 -1.993 1.00 42.55 C ATOM 579 CG LEU A 36 4.374 -7.588 -3.441 1.00 13.14 C ATOM 580 CD1 LEU A 36 3.465 -6.929 -4.426 1.00 2.13 C ATOM 581 CD2 LEU A 36 5.801 -7.132 -3.625 1.00 1.02 C ATOM 0 H LEU A 36 1.418 -9.046 -2.848 1.00 40.13 H new ATOM 0 HA LEU A 36 2.687 -8.119 -0.505 1.00 2.44 H new ATOM 0 HB2 LEU A 36 3.948 -6.271 -1.814 1.00 42.55 H new ATOM 0 HB3 LEU A 36 4.683 -7.788 -1.337 1.00 42.55 H new ATOM 0 HG LEU A 36 4.316 -8.659 -3.635 1.00 13.14 H new ATOM 0 HD11 LEU A 36 3.818 -7.129 -5.438 1.00 2.13 H new ATOM 0 HD12 LEU A 36 2.455 -7.323 -4.310 1.00 2.13 H new ATOM 0 HD13 LEU A 36 3.457 -5.853 -4.250 1.00 2.13 H new ATOM 0 HD21 LEU A 36 6.109 -7.307 -4.656 1.00 1.02 H new ATOM 0 HD22 LEU A 36 5.875 -6.068 -3.399 1.00 1.02 H new ATOM 0 HD23 LEU A 36 6.451 -7.692 -2.953 1.00 1.02 H new ATOM 593 N GLN A 37 1.214 -6.357 -0.343 1.00 51.32 N ATOM 594 CA GLN A 37 0.146 -5.438 -0.023 1.00 55.24 C ATOM 595 C GLN A 37 0.749 -4.176 0.557 1.00 4.55 C ATOM 596 O GLN A 37 1.558 -4.247 1.472 1.00 11.33 O ATOM 597 CB GLN A 37 -0.720 -6.117 1.022 1.00 44.31 C ATOM 598 CG GLN A 37 -1.390 -7.393 0.519 1.00 33.03 C ATOM 599 CD GLN A 37 -1.965 -8.242 1.630 1.00 1.42 C ATOM 600 OE1 GLN A 37 -2.952 -8.911 1.456 1.00 71.43 O ATOM 601 NE2 GLN A 37 -1.309 -8.267 2.755 1.00 10.33 N ATOM 0 H GLN A 37 1.794 -6.587 0.464 1.00 51.32 H new ATOM 0 HA GLN A 37 -0.441 -5.179 -0.904 1.00 55.24 H new ATOM 0 HB2 GLN A 37 -0.107 -6.356 1.891 1.00 44.31 H new ATOM 0 HB3 GLN A 37 -1.488 -5.419 1.355 1.00 44.31 H new ATOM 0 HG2 GLN A 37 -2.187 -7.128 -0.176 1.00 33.03 H new ATOM 0 HG3 GLN A 37 -0.662 -7.982 -0.040 1.00 33.03 H new ATOM 0 HE21 GLN A 37 -0.477 -7.689 2.873 1.00 10.33 H new ATOM 0 HE22 GLN A 37 -1.628 -8.864 3.518 1.00 10.33 H new ATOM 610 N ILE A 38 0.374 -3.043 0.038 1.00 31.24 N ATOM 611 CA ILE A 38 0.967 -1.790 0.474 1.00 4.34 C ATOM 612 C ILE A 38 -0.128 -0.882 1.002 1.00 65.21 C ATOM 613 O ILE A 38 -1.242 -0.936 0.514 1.00 64.11 O ATOM 614 CB ILE A 38 1.657 -1.099 -0.711 1.00 23.31 C ATOM 615 CG1 ILE A 38 2.545 -2.098 -1.445 1.00 52.23 C ATOM 616 CG2 ILE A 38 2.501 0.076 -0.219 1.00 13.20 C ATOM 617 CD1 ILE A 38 3.195 -1.533 -2.663 1.00 23.04 C ATOM 0 H ILE A 38 -0.338 -2.950 -0.687 1.00 31.24 H new ATOM 0 HA ILE A 38 1.701 -1.991 1.255 1.00 4.34 H new ATOM 0 HB ILE A 38 0.894 -0.725 -1.393 1.00 23.31 H new ATOM 0 HG12 ILE A 38 3.317 -2.455 -0.763 1.00 52.23 H new ATOM 0 HG13 ILE A 38 1.946 -2.963 -1.730 1.00 52.23 H new ATOM 0 HG21 ILE A 38 2.985 0.557 -1.069 1.00 13.20 H new ATOM 0 HG22 ILE A 38 1.860 0.796 0.290 1.00 13.20 H new ATOM 0 HG23 ILE A 38 3.261 -0.286 0.474 1.00 13.20 H new ATOM 0 HD11 ILE A 38 3.811 -2.298 -3.135 1.00 23.04 H new ATOM 0 HD12 ILE A 38 2.429 -1.201 -3.364 1.00 23.04 H new ATOM 0 HD13 ILE A 38 3.821 -0.686 -2.382 1.00 23.04 H new ATOM 629 N VAL A 39 0.185 -0.050 1.975 1.00 63.13 N ATOM 630 CA VAL A 39 -0.807 0.841 2.580 1.00 21.43 C ATOM 631 C VAL A 39 -0.324 2.295 2.609 1.00 61.50 C ATOM 632 O VAL A 39 0.805 2.556 2.973 1.00 1.11 O ATOM 633 CB VAL A 39 -1.216 0.378 4.015 1.00 53.12 C ATOM 634 CG1 VAL A 39 -1.965 -0.945 3.966 1.00 40.33 C ATOM 635 CG2 VAL A 39 0.008 0.248 4.922 1.00 72.30 C ATOM 0 H VAL A 39 1.121 0.034 2.371 1.00 63.13 H new ATOM 0 HA VAL A 39 -1.692 0.788 1.945 1.00 21.43 H new ATOM 0 HB VAL A 39 -1.876 1.140 4.429 1.00 53.12 H new ATOM 0 HG11 VAL A 39 -2.239 -1.246 4.977 1.00 40.33 H new ATOM 0 HG12 VAL A 39 -2.867 -0.830 3.365 1.00 40.33 H new ATOM 0 HG13 VAL A 39 -1.327 -1.708 3.521 1.00 40.33 H new ATOM 0 HG21 VAL A 39 -0.307 -0.076 5.914 1.00 72.30 H new ATOM 0 HG22 VAL A 39 0.696 -0.486 4.502 1.00 72.30 H new ATOM 0 HG23 VAL A 39 0.509 1.213 4.997 1.00 72.30 H new ATOM 645 N ALA A 40 -1.183 3.220 2.211 1.00 64.24 N ATOM 646 CA ALA A 40 -0.861 4.645 2.190 1.00 63.43 C ATOM 647 C ALA A 40 -1.795 5.411 3.064 1.00 51.23 C ATOM 648 O ALA A 40 -2.988 5.485 2.777 1.00 31.31 O ATOM 649 CB ALA A 40 -1.014 5.215 0.789 1.00 12.12 C ATOM 0 H ALA A 40 -2.128 3.006 1.891 1.00 64.24 H new ATOM 0 HA ALA A 40 0.168 4.739 2.538 1.00 63.43 H new ATOM 0 HB1 ALA A 40 -0.769 6.277 0.799 1.00 12.12 H new ATOM 0 HB2 ALA A 40 -0.341 4.694 0.109 1.00 12.12 H new ATOM 0 HB3 ALA A 40 -2.043 5.083 0.453 1.00 12.12 H new ATOM 655 N ARG A 41 -1.291 5.977 4.117 1.00 51.33 N ATOM 656 CA ARG A 41 -2.113 6.829 4.916 1.00 13.04 C ATOM 657 C ARG A 41 -1.831 8.241 4.558 1.00 34.15 C ATOM 658 O ARG A 41 -0.681 8.671 4.564 1.00 64.11 O ATOM 659 CB ARG A 41 -1.946 6.591 6.403 1.00 55.41 C ATOM 660 CG ARG A 41 -2.812 7.493 7.242 1.00 33.41 C ATOM 661 CD ARG A 41 -2.856 7.046 8.684 1.00 34.34 C ATOM 662 NE ARG A 41 -1.544 7.102 9.347 1.00 54.25 N ATOM 663 CZ ARG A 41 -1.331 6.739 10.620 1.00 20.41 C ATOM 664 NH1 ARG A 41 -2.335 6.253 11.347 1.00 74.01 N ATOM 665 NH2 ARG A 41 -0.119 6.851 11.158 1.00 52.22 N ATOM 0 H ARG A 41 -0.329 5.867 4.439 1.00 51.33 H new ATOM 0 HA ARG A 41 -3.155 6.593 4.701 1.00 13.04 H new ATOM 0 HB2 ARG A 41 -2.186 5.552 6.629 1.00 55.41 H new ATOM 0 HB3 ARG A 41 -0.901 6.743 6.675 1.00 55.41 H new ATOM 0 HG2 ARG A 41 -2.432 8.513 7.189 1.00 33.41 H new ATOM 0 HG3 ARG A 41 -3.823 7.508 6.835 1.00 33.41 H new ATOM 0 HD2 ARG A 41 -3.560 7.673 9.231 1.00 34.34 H new ATOM 0 HD3 ARG A 41 -3.236 6.026 8.730 1.00 34.34 H new ATOM 0 HE ARG A 41 -0.748 7.438 8.805 1.00 54.25 H new ATOM 0 HH11 ARG A 41 -3.263 6.158 10.935 1.00 74.01 H new ATOM 0 HH12 ARG A 41 -2.176 5.976 12.316 1.00 74.01 H new ATOM 0 HH21 ARG A 41 0.654 7.215 10.601 1.00 52.22 H new ATOM 0 HH22 ARG A 41 0.036 6.573 12.127 1.00 52.22 H new ATOM 679 N LEU A 42 -2.862 8.955 4.228 1.00 52.35 N ATOM 680 CA LEU A 42 -2.718 10.325 3.788 1.00 40.01 C ATOM 681 C LEU A 42 -2.389 11.241 4.950 1.00 72.51 C ATOM 682 O LEU A 42 -2.938 11.087 6.035 1.00 4.33 O ATOM 683 CB LEU A 42 -3.977 10.824 3.075 1.00 70.43 C ATOM 684 CG LEU A 42 -4.466 10.023 1.844 1.00 43.33 C ATOM 685 CD1 LEU A 42 -5.348 10.861 0.926 1.00 23.50 C ATOM 686 CD2 LEU A 42 -3.341 9.335 1.074 1.00 61.21 C ATOM 0 H LEU A 42 -3.824 8.616 4.252 1.00 52.35 H new ATOM 0 HA LEU A 42 -1.891 10.345 3.078 1.00 40.01 H new ATOM 0 HB2 LEU A 42 -4.788 10.850 3.803 1.00 70.43 H new ATOM 0 HB3 LEU A 42 -3.799 11.852 2.759 1.00 70.43 H new ATOM 0 HG LEU A 42 -5.083 9.221 2.249 1.00 43.33 H new ATOM 0 HD11 LEU A 42 -5.667 10.257 0.077 1.00 23.50 H new ATOM 0 HD12 LEU A 42 -6.224 11.204 1.477 1.00 23.50 H new ATOM 0 HD13 LEU A 42 -4.785 11.723 0.567 1.00 23.50 H new ATOM 0 HD21 LEU A 42 -3.759 8.793 0.225 1.00 61.21 H new ATOM 0 HD22 LEU A 42 -2.635 10.084 0.714 1.00 61.21 H new ATOM 0 HD23 LEU A 42 -2.824 8.636 1.732 1.00 61.21 H new ATOM 698 N LYS A 43 -1.496 12.185 4.707 1.00 52.34 N ATOM 699 CA LYS A 43 -1.056 13.144 5.720 1.00 72.53 C ATOM 700 C LYS A 43 -2.217 14.017 6.209 1.00 24.31 C ATOM 701 O LYS A 43 -2.359 14.262 7.398 1.00 4.01 O ATOM 702 CB LYS A 43 0.018 14.059 5.115 1.00 53.22 C ATOM 703 CG LYS A 43 1.260 13.383 4.667 1.00 51.44 C ATOM 704 CD LYS A 43 2.161 14.397 4.023 1.00 63.40 C ATOM 705 CE LYS A 43 3.521 13.844 3.809 1.00 14.45 C ATOM 706 NZ LYS A 43 4.410 14.829 3.144 1.00 63.01 N ATOM 0 H LYS A 43 -1.050 12.313 3.798 1.00 52.34 H new ATOM 0 HA LYS A 43 -0.661 12.582 6.566 1.00 72.53 H new ATOM 0 HB2 LYS A 43 -0.415 14.584 4.264 1.00 53.22 H new ATOM 0 HB3 LYS A 43 0.284 14.815 5.854 1.00 53.22 H new ATOM 0 HG2 LYS A 43 1.762 12.917 5.515 1.00 51.44 H new ATOM 0 HG3 LYS A 43 1.022 12.587 3.961 1.00 51.44 H new ATOM 0 HD2 LYS A 43 1.738 14.710 3.068 1.00 63.40 H new ATOM 0 HD3 LYS A 43 2.221 15.286 4.651 1.00 63.40 H new ATOM 0 HE2 LYS A 43 3.951 13.553 4.767 1.00 14.45 H new ATOM 0 HE3 LYS A 43 3.457 12.942 3.201 1.00 14.45 H new ATOM 0 HZ1 LYS A 43 5.398 14.512 3.221 1.00 63.01 H new ATOM 0 HZ2 LYS A 43 4.149 14.910 2.140 1.00 63.01 H new ATOM 0 HZ3 LYS A 43 4.307 15.756 3.604 1.00 63.01 H new ATOM 720 N ASN A 44 -3.047 14.457 5.286 1.00 31.23 N ATOM 721 CA ASN A 44 -4.171 15.339 5.613 1.00 4.02 C ATOM 722 C ASN A 44 -5.458 14.553 5.767 1.00 52.11 C ATOM 723 O ASN A 44 -6.201 14.732 6.731 1.00 72.43 O ATOM 724 CB ASN A 44 -4.347 16.400 4.513 1.00 0.52 C ATOM 725 CG ASN A 44 -5.479 17.385 4.789 1.00 53.44 C ATOM 726 OD1 ASN A 44 -5.781 17.706 5.933 1.00 24.51 O ATOM 727 ND2 ASN A 44 -6.108 17.861 3.742 1.00 11.51 N ATOM 0 H ASN A 44 -2.972 14.222 4.296 1.00 31.23 H new ATOM 0 HA ASN A 44 -3.948 15.827 6.562 1.00 4.02 H new ATOM 0 HB2 ASN A 44 -3.415 16.953 4.401 1.00 0.52 H new ATOM 0 HB3 ASN A 44 -4.536 15.899 3.564 1.00 0.52 H new ATOM 0 HD21 ASN A 44 -6.876 18.521 3.865 1.00 11.51 H new ATOM 0 HD22 ASN A 44 -5.829 17.572 2.804 1.00 11.51 H new ATOM 734 N ASN A 45 -5.715 13.674 4.813 1.00 71.44 N ATOM 735 CA ASN A 45 -6.950 12.892 4.807 1.00 15.24 C ATOM 736 C ASN A 45 -6.998 11.909 5.974 1.00 23.44 C ATOM 737 O ASN A 45 -8.071 11.526 6.426 1.00 44.04 O ATOM 738 CB ASN A 45 -7.118 12.180 3.466 1.00 51.20 C ATOM 739 CG ASN A 45 -8.440 11.451 3.294 1.00 42.11 C ATOM 740 OD1 ASN A 45 -9.460 11.840 3.842 1.00 11.13 O ATOM 741 ND2 ASN A 45 -8.421 10.399 2.509 1.00 51.32 N ATOM 0 H ASN A 45 -5.089 13.481 4.031 1.00 71.44 H new ATOM 0 HA ASN A 45 -7.788 13.577 4.937 1.00 15.24 H new ATOM 0 HB2 ASN A 45 -7.016 12.913 2.666 1.00 51.20 H new ATOM 0 HB3 ASN A 45 -6.305 11.463 3.347 1.00 51.20 H new ATOM 0 HD21 ASN A 45 -9.279 9.874 2.338 1.00 51.32 H new ATOM 0 HD22 ASN A 45 -7.548 10.106 2.070 1.00 51.32 H new ATOM 748 N ASN A 46 -5.806 11.510 6.456 1.00 4.23 N ATOM 749 CA ASN A 46 -5.634 10.581 7.612 1.00 55.24 C ATOM 750 C ASN A 46 -6.237 9.201 7.302 1.00 20.32 C ATOM 751 O ASN A 46 -6.376 8.338 8.170 1.00 11.23 O ATOM 752 CB ASN A 46 -6.249 11.180 8.902 1.00 74.31 C ATOM 753 CG ASN A 46 -5.913 10.385 10.170 1.00 4.23 C ATOM 754 OD1 ASN A 46 -4.837 9.778 10.283 1.00 75.11 O ATOM 755 ND2 ASN A 46 -6.816 10.383 11.117 1.00 44.53 N ATOM 0 H ASN A 46 -4.920 11.821 6.057 1.00 4.23 H new ATOM 0 HA ASN A 46 -4.565 10.449 7.781 1.00 55.24 H new ATOM 0 HB2 ASN A 46 -5.895 12.204 9.021 1.00 74.31 H new ATOM 0 HB3 ASN A 46 -7.332 11.228 8.790 1.00 74.31 H new ATOM 0 HD21 ASN A 46 -6.646 9.871 11.983 1.00 44.53 H new ATOM 0 HD22 ASN A 46 -7.690 10.893 10.990 1.00 44.53 H new ATOM 762 N ARG A 47 -6.555 8.982 6.058 1.00 42.42 N ATOM 763 CA ARG A 47 -7.129 7.727 5.662 1.00 21.32 C ATOM 764 C ARG A 47 -6.126 6.945 4.920 1.00 44.01 C ATOM 765 O ARG A 47 -5.246 7.513 4.260 1.00 73.44 O ATOM 766 CB ARG A 47 -8.391 7.898 4.845 1.00 52.42 C ATOM 767 CG ARG A 47 -9.531 8.536 5.601 1.00 2.01 C ATOM 768 CD ARG A 47 -10.725 8.709 4.706 1.00 14.43 C ATOM 769 NE ARG A 47 -11.831 9.374 5.386 1.00 20.41 N ATOM 770 CZ ARG A 47 -12.567 10.357 4.854 1.00 20.23 C ATOM 771 NH1 ARG A 47 -12.282 10.839 3.652 1.00 44.10 N ATOM 772 NH2 ARG A 47 -13.577 10.859 5.530 1.00 42.01 N ATOM 0 H ARG A 47 -6.427 9.654 5.302 1.00 42.42 H new ATOM 0 HA ARG A 47 -7.419 7.191 6.565 1.00 21.32 H new ATOM 0 HB2 ARG A 47 -8.165 8.506 3.969 1.00 52.42 H new ATOM 0 HB3 ARG A 47 -8.711 6.922 4.482 1.00 52.42 H new ATOM 0 HG2 ARG A 47 -9.798 7.917 6.458 1.00 2.01 H new ATOM 0 HG3 ARG A 47 -9.219 9.504 5.992 1.00 2.01 H new ATOM 0 HD2 ARG A 47 -10.438 9.289 3.829 1.00 14.43 H new ATOM 0 HD3 ARG A 47 -11.054 7.733 4.349 1.00 14.43 H new ATOM 0 HE ARG A 47 -12.059 9.069 6.332 1.00 20.41 H new ATOM 0 HH11 ARG A 47 -11.496 10.460 3.124 1.00 44.10 H new ATOM 0 HH12 ARG A 47 -12.849 11.588 3.255 1.00 44.10 H new ATOM 0 HH21 ARG A 47 -13.798 10.499 6.458 1.00 42.01 H new ATOM 0 HH22 ARG A 47 -14.139 11.608 5.126 1.00 42.01 H new ATOM 786 N GLN A 48 -6.240 5.680 5.023 1.00 3.13 N ATOM 787 CA GLN A 48 -5.328 4.798 4.466 1.00 1.03 C ATOM 788 C GLN A 48 -5.935 3.967 3.362 1.00 35.33 C ATOM 789 O GLN A 48 -6.917 3.241 3.561 1.00 63.34 O ATOM 790 CB GLN A 48 -4.754 3.947 5.567 1.00 74.31 C ATOM 791 CG GLN A 48 -3.946 2.797 5.086 1.00 40.32 C ATOM 792 CD GLN A 48 -3.259 2.069 6.201 1.00 34.03 C ATOM 793 OE1 GLN A 48 -2.134 2.398 6.575 1.00 21.52 O ATOM 794 NE2 GLN A 48 -3.916 1.080 6.743 1.00 12.30 N ATOM 0 H GLN A 48 -7.005 5.224 5.520 1.00 3.13 H new ATOM 0 HA GLN A 48 -4.526 5.364 3.992 1.00 1.03 H new ATOM 0 HB2 GLN A 48 -4.132 4.572 6.208 1.00 74.31 H new ATOM 0 HB3 GLN A 48 -5.570 3.571 6.184 1.00 74.31 H new ATOM 0 HG2 GLN A 48 -4.592 2.103 4.548 1.00 40.32 H new ATOM 0 HG3 GLN A 48 -3.200 3.154 4.376 1.00 40.32 H new ATOM 0 HE21 GLN A 48 -4.847 0.839 6.403 1.00 12.30 H new ATOM 0 HE22 GLN A 48 -3.498 0.548 7.506 1.00 12.30 H new ATOM 803 N VAL A 49 -5.342 4.079 2.210 1.00 53.41 N ATOM 804 CA VAL A 49 -5.726 3.316 1.063 1.00 32.45 C ATOM 805 C VAL A 49 -4.566 2.440 0.663 1.00 4.45 C ATOM 806 O VAL A 49 -3.418 2.829 0.796 1.00 50.21 O ATOM 807 CB VAL A 49 -6.165 4.218 -0.141 1.00 44.43 C ATOM 808 CG1 VAL A 49 -7.422 5.008 0.212 1.00 34.44 C ATOM 809 CG2 VAL A 49 -5.047 5.176 -0.556 1.00 11.21 C ATOM 0 H VAL A 49 -4.563 4.716 2.040 1.00 53.41 H new ATOM 0 HA VAL A 49 -6.593 2.712 1.328 1.00 32.45 H new ATOM 0 HB VAL A 49 -6.382 3.561 -0.983 1.00 44.43 H new ATOM 0 HG11 VAL A 49 -7.712 5.629 -0.636 1.00 34.44 H new ATOM 0 HG12 VAL A 49 -8.231 4.317 0.450 1.00 34.44 H new ATOM 0 HG13 VAL A 49 -7.222 5.643 1.075 1.00 34.44 H new ATOM 0 HG21 VAL A 49 -5.384 5.787 -1.393 1.00 11.21 H new ATOM 0 HG22 VAL A 49 -4.790 5.821 0.284 1.00 11.21 H new ATOM 0 HG23 VAL A 49 -4.169 4.603 -0.855 1.00 11.21 H new ATOM 819 N CYS A 50 -4.856 1.264 0.242 1.00 63.43 N ATOM 820 CA CYS A 50 -3.834 0.348 -0.212 1.00 44.32 C ATOM 821 C CYS A 50 -3.235 0.812 -1.523 1.00 62.04 C ATOM 822 O CYS A 50 -3.940 1.318 -2.387 1.00 33.53 O ATOM 823 CB CYS A 50 -4.401 -1.049 -0.323 1.00 13.21 C ATOM 824 SG CYS A 50 -4.951 -1.734 1.282 1.00 43.12 S ATOM 0 H CYS A 50 -5.805 0.893 0.196 1.00 63.43 H new ATOM 0 HA CYS A 50 -3.028 0.329 0.522 1.00 44.32 H new ATOM 0 HB2 CYS A 50 -5.244 -1.038 -1.014 1.00 13.21 H new ATOM 0 HB3 CYS A 50 -3.646 -1.708 -0.752 1.00 13.21 H new ATOM 829 N ILE A 51 -1.943 0.655 -1.662 1.00 2.32 N ATOM 830 CA ILE A 51 -1.250 1.131 -2.836 1.00 71.11 C ATOM 831 C ILE A 51 -0.916 -0.042 -3.723 1.00 15.50 C ATOM 832 O ILE A 51 -0.553 -1.113 -3.229 1.00 13.23 O ATOM 833 CB ILE A 51 0.087 1.811 -2.497 1.00 25.12 C ATOM 834 CG1 ILE A 51 -0.038 2.715 -1.285 1.00 14.42 C ATOM 835 CG2 ILE A 51 0.531 2.632 -3.692 1.00 5.41 C ATOM 836 CD1 ILE A 51 1.277 3.366 -0.893 1.00 60.32 C ATOM 0 H ILE A 51 -1.345 0.199 -0.973 1.00 2.32 H new ATOM 0 HA ILE A 51 -1.911 1.851 -3.318 1.00 71.11 H new ATOM 0 HB ILE A 51 0.820 1.038 -2.264 1.00 25.12 H new ATOM 0 HG12 ILE A 51 -0.774 3.492 -1.492 1.00 14.42 H new ATOM 0 HG13 ILE A 51 -0.415 2.135 -0.443 1.00 14.42 H new ATOM 0 HG21 ILE A 51 1.479 3.121 -3.466 1.00 5.41 H new ATOM 0 HG22 ILE A 51 0.656 1.979 -4.556 1.00 5.41 H new ATOM 0 HG23 ILE A 51 -0.223 3.387 -3.915 1.00 5.41 H new ATOM 0 HD11 ILE A 51 1.123 4.000 -0.020 1.00 60.32 H new ATOM 0 HD12 ILE A 51 2.009 2.594 -0.656 1.00 60.32 H new ATOM 0 HD13 ILE A 51 1.644 3.972 -1.721 1.00 60.32 H new ATOM 848 N ASP A 52 -1.027 0.159 -5.004 1.00 74.14 N ATOM 849 CA ASP A 52 -0.689 -0.856 -5.969 1.00 53.13 C ATOM 850 C ASP A 52 0.836 -0.874 -6.159 1.00 11.35 C ATOM 851 O ASP A 52 1.444 0.171 -6.423 1.00 52.31 O ATOM 852 CB ASP A 52 -1.371 -0.554 -7.298 1.00 61.31 C ATOM 853 CG ASP A 52 -1.075 -1.583 -8.351 1.00 74.44 C ATOM 854 OD1 ASP A 52 -0.033 -1.488 -8.977 1.00 31.32 O ATOM 855 OD2 ASP A 52 -1.919 -2.487 -8.584 1.00 24.22 O ATOM 0 H ASP A 52 -1.355 1.033 -5.414 1.00 74.14 H new ATOM 0 HA ASP A 52 -1.028 -1.829 -5.613 1.00 53.13 H new ATOM 0 HB2 ASP A 52 -2.449 -0.498 -7.144 1.00 61.31 H new ATOM 0 HB3 ASP A 52 -1.049 0.425 -7.652 1.00 61.31 H new ATOM 860 N PRO A 53 1.470 -2.048 -6.030 1.00 35.01 N ATOM 861 CA PRO A 53 2.931 -2.177 -6.117 1.00 74.21 C ATOM 862 C PRO A 53 3.542 -1.930 -7.500 1.00 52.05 C ATOM 863 O PRO A 53 4.757 -2.050 -7.653 1.00 41.50 O ATOM 864 CB PRO A 53 3.211 -3.606 -5.680 1.00 40.25 C ATOM 865 CG PRO A 53 1.925 -4.342 -5.906 1.00 31.32 C ATOM 866 CD PRO A 53 0.818 -3.338 -5.748 1.00 60.55 C ATOM 0 HA PRO A 53 3.390 -1.407 -5.497 1.00 74.21 H new ATOM 0 HB2 PRO A 53 4.023 -4.044 -6.260 1.00 40.25 H new ATOM 0 HB3 PRO A 53 3.510 -3.647 -4.633 1.00 40.25 H new ATOM 0 HG2 PRO A 53 1.904 -4.788 -6.901 1.00 31.32 H new ATOM 0 HG3 PRO A 53 1.814 -5.156 -5.190 1.00 31.32 H new ATOM 0 HD2 PRO A 53 -0.000 -3.533 -6.441 1.00 60.55 H new ATOM 0 HD3 PRO A 53 0.397 -3.362 -4.743 1.00 60.55 H new ATOM 874 N LYS A 54 2.739 -1.610 -8.509 1.00 30.11 N ATOM 875 CA LYS A 54 3.318 -1.333 -9.814 1.00 11.54 C ATOM 876 C LYS A 54 3.922 0.064 -9.833 1.00 2.04 C ATOM 877 O LYS A 54 4.712 0.388 -10.729 1.00 73.32 O ATOM 878 CB LYS A 54 2.316 -1.484 -10.977 1.00 53.12 C ATOM 879 CG LYS A 54 1.588 -2.849 -11.149 1.00 2.31 C ATOM 880 CD LYS A 54 2.508 -4.063 -11.360 1.00 21.02 C ATOM 881 CE LYS A 54 3.138 -4.571 -10.065 1.00 33.33 C ATOM 882 NZ LYS A 54 4.000 -5.744 -10.291 1.00 41.14 N ATOM 0 H LYS A 54 1.723 -1.538 -8.453 1.00 30.11 H new ATOM 0 HA LYS A 54 4.093 -2.083 -9.970 1.00 11.54 H new ATOM 0 HB2 LYS A 54 1.554 -0.713 -10.862 1.00 53.12 H new ATOM 0 HB3 LYS A 54 2.848 -1.271 -11.904 1.00 53.12 H new ATOM 0 HG2 LYS A 54 0.974 -3.028 -10.266 1.00 2.31 H new ATOM 0 HG3 LYS A 54 0.910 -2.776 -11.999 1.00 2.31 H new ATOM 0 HD2 LYS A 54 1.936 -4.869 -11.819 1.00 21.02 H new ATOM 0 HD3 LYS A 54 3.299 -3.794 -12.060 1.00 21.02 H new ATOM 0 HE2 LYS A 54 3.725 -3.773 -9.610 1.00 33.33 H new ATOM 0 HE3 LYS A 54 2.351 -4.831 -9.357 1.00 33.33 H new ATOM 0 HZ1 LYS A 54 4.407 -6.055 -9.386 1.00 41.14 H new ATOM 0 HZ2 LYS A 54 3.436 -6.516 -10.701 1.00 41.14 H new ATOM 0 HZ3 LYS A 54 4.767 -5.490 -10.946 1.00 41.14 H new ATOM 896 N LEU A 55 3.544 0.903 -8.857 1.00 51.11 N ATOM 897 CA LEU A 55 4.105 2.250 -8.749 1.00 24.25 C ATOM 898 C LEU A 55 5.622 2.212 -8.570 1.00 51.11 C ATOM 899 O LEU A 55 6.156 1.551 -7.667 1.00 31.32 O ATOM 900 CB LEU A 55 3.446 3.062 -7.631 1.00 63.03 C ATOM 901 CG LEU A 55 1.957 3.362 -7.796 1.00 15.41 C ATOM 902 CD1 LEU A 55 1.453 4.190 -6.635 1.00 55.22 C ATOM 903 CD2 LEU A 55 1.706 4.090 -9.095 1.00 13.22 C ATOM 0 H LEU A 55 2.858 0.672 -8.139 1.00 51.11 H new ATOM 0 HA LEU A 55 3.887 2.755 -9.690 1.00 24.25 H new ATOM 0 HB2 LEU A 55 3.584 2.526 -6.692 1.00 63.03 H new ATOM 0 HB3 LEU A 55 3.977 4.009 -7.538 1.00 63.03 H new ATOM 0 HG LEU A 55 1.417 2.415 -7.814 1.00 15.41 H new ATOM 0 HD11 LEU A 55 0.391 4.395 -6.768 1.00 55.22 H new ATOM 0 HD12 LEU A 55 1.603 3.642 -5.705 1.00 55.22 H new ATOM 0 HD13 LEU A 55 2.002 5.131 -6.594 1.00 55.22 H new ATOM 0 HD21 LEU A 55 0.640 4.296 -9.197 1.00 13.22 H new ATOM 0 HD22 LEU A 55 2.259 5.029 -9.098 1.00 13.22 H new ATOM 0 HD23 LEU A 55 2.037 3.471 -9.929 1.00 13.22 H new ATOM 915 N LYS A 56 6.294 2.950 -9.419 1.00 20.15 N ATOM 916 CA LYS A 56 7.736 2.985 -9.491 1.00 63.24 C ATOM 917 C LYS A 56 8.310 3.611 -8.218 1.00 44.21 C ATOM 918 O LYS A 56 9.318 3.133 -7.681 1.00 13.33 O ATOM 919 CB LYS A 56 8.143 3.774 -10.779 1.00 12.01 C ATOM 920 CG LYS A 56 9.629 3.760 -11.206 1.00 61.40 C ATOM 921 CD LYS A 56 10.560 4.487 -10.246 1.00 33.05 C ATOM 922 CE LYS A 56 11.993 4.481 -10.751 1.00 52.02 C ATOM 923 NZ LYS A 56 12.504 3.109 -10.970 1.00 40.34 N ATOM 0 H LYS A 56 5.841 3.561 -10.099 1.00 20.15 H new ATOM 0 HA LYS A 56 8.147 1.978 -9.557 1.00 63.24 H new ATOM 0 HB2 LYS A 56 7.555 3.383 -11.609 1.00 12.01 H new ATOM 0 HB3 LYS A 56 7.846 4.814 -10.640 1.00 12.01 H new ATOM 0 HG2 LYS A 56 9.959 2.725 -11.301 1.00 61.40 H new ATOM 0 HG3 LYS A 56 9.716 4.214 -12.193 1.00 61.40 H new ATOM 0 HD2 LYS A 56 10.222 5.515 -10.118 1.00 33.05 H new ATOM 0 HD3 LYS A 56 10.516 4.013 -9.265 1.00 33.05 H new ATOM 0 HE2 LYS A 56 12.050 5.041 -11.684 1.00 52.02 H new ATOM 0 HE3 LYS A 56 12.632 4.994 -10.032 1.00 52.02 H new ATOM 0 HZ1 LYS A 56 13.538 3.137 -11.082 1.00 40.34 H new ATOM 0 HZ2 LYS A 56 12.260 2.513 -10.153 1.00 40.34 H new ATOM 0 HZ3 LYS A 56 12.074 2.711 -11.829 1.00 40.34 H new ATOM 937 N TRP A 57 7.645 4.649 -7.710 1.00 62.13 N ATOM 938 CA TRP A 57 8.153 5.346 -6.531 1.00 13.01 C ATOM 939 C TRP A 57 8.080 4.456 -5.285 1.00 25.44 C ATOM 940 O TRP A 57 8.885 4.592 -4.365 1.00 15.11 O ATOM 941 CB TRP A 57 7.453 6.719 -6.292 1.00 12.00 C ATOM 942 CG TRP A 57 5.984 6.673 -5.907 1.00 11.11 C ATOM 943 CD1 TRP A 57 4.905 6.876 -6.715 1.00 41.53 C ATOM 944 CD2 TRP A 57 5.458 6.424 -4.599 1.00 24.42 C ATOM 945 NE1 TRP A 57 3.742 6.776 -5.979 1.00 52.44 N ATOM 946 CE2 TRP A 57 4.061 6.492 -4.680 1.00 62.42 C ATOM 947 CE3 TRP A 57 6.044 6.149 -3.369 1.00 31.54 C ATOM 948 CZ2 TRP A 57 3.243 6.293 -3.568 1.00 54.42 C ATOM 949 CZ3 TRP A 57 5.240 5.951 -2.283 1.00 65.12 C ATOM 950 CH2 TRP A 57 3.854 6.027 -2.387 1.00 20.33 C ATOM 0 H TRP A 57 6.772 5.019 -8.087 1.00 62.13 H new ATOM 0 HA TRP A 57 9.202 5.566 -6.729 1.00 13.01 H new ATOM 0 HB2 TRP A 57 7.995 7.246 -5.507 1.00 12.00 H new ATOM 0 HB3 TRP A 57 7.549 7.314 -7.200 1.00 12.00 H new ATOM 0 HD1 TRP A 57 4.953 7.084 -7.774 1.00 41.53 H new ATOM 0 HE1 TRP A 57 2.797 6.895 -6.345 1.00 52.44 H new ATOM 0 HE3 TRP A 57 7.118 6.093 -3.274 1.00 31.54 H new ATOM 0 HZ2 TRP A 57 2.167 6.348 -3.644 1.00 54.42 H new ATOM 0 HZ3 TRP A 57 5.688 5.731 -1.325 1.00 65.12 H new ATOM 0 HH2 TRP A 57 3.250 5.870 -1.505 1.00 20.33 H new ATOM 961 N ILE A 58 7.122 3.545 -5.278 1.00 22.23 N ATOM 962 CA ILE A 58 6.912 2.620 -4.170 1.00 60.14 C ATOM 963 C ILE A 58 8.103 1.709 -3.991 1.00 1.15 C ATOM 964 O ILE A 58 8.685 1.628 -2.907 1.00 33.21 O ATOM 965 CB ILE A 58 5.652 1.737 -4.460 1.00 21.01 C ATOM 966 CG1 ILE A 58 4.367 2.491 -4.176 1.00 13.12 C ATOM 967 CG2 ILE A 58 5.684 0.409 -3.715 1.00 42.44 C ATOM 968 CD1 ILE A 58 4.174 2.768 -2.727 1.00 34.20 C ATOM 0 H ILE A 58 6.461 3.423 -6.045 1.00 22.23 H new ATOM 0 HA ILE A 58 6.771 3.206 -3.262 1.00 60.14 H new ATOM 0 HB ILE A 58 5.679 1.503 -5.524 1.00 21.01 H new ATOM 0 HG12 ILE A 58 4.374 3.433 -4.724 1.00 13.12 H new ATOM 0 HG13 ILE A 58 3.521 1.913 -4.547 1.00 13.12 H new ATOM 0 HG21 ILE A 58 4.787 -0.163 -3.952 1.00 42.44 H new ATOM 0 HG22 ILE A 58 6.566 -0.156 -4.017 1.00 42.44 H new ATOM 0 HG23 ILE A 58 5.722 0.595 -2.642 1.00 42.44 H new ATOM 0 HD11 ILE A 58 3.239 3.309 -2.581 1.00 34.20 H new ATOM 0 HD12 ILE A 58 4.137 1.827 -2.178 1.00 34.20 H new ATOM 0 HD13 ILE A 58 5.004 3.371 -2.358 1.00 34.20 H new ATOM 980 N GLN A 59 8.488 1.083 -5.056 1.00 41.13 N ATOM 981 CA GLN A 59 9.526 0.110 -5.028 1.00 71.04 C ATOM 982 C GLN A 59 10.888 0.773 -4.844 1.00 3.44 C ATOM 983 O GLN A 59 11.812 0.198 -4.295 1.00 63.42 O ATOM 984 CB GLN A 59 9.431 -0.773 -6.251 1.00 61.32 C ATOM 985 CG GLN A 59 9.719 -0.102 -7.562 1.00 21.33 C ATOM 986 CD GLN A 59 9.165 -0.887 -8.721 1.00 23.43 C ATOM 987 OE1 GLN A 59 8.869 -0.325 -9.776 1.00 70.32 O ATOM 988 NE2 GLN A 59 8.930 -2.161 -8.515 1.00 51.55 N ATOM 0 H GLN A 59 8.084 1.237 -5.980 1.00 41.13 H new ATOM 0 HA GLN A 59 9.404 -0.542 -4.163 1.00 71.04 H new ATOM 0 HB2 GLN A 59 10.124 -1.606 -6.130 1.00 61.32 H new ATOM 0 HB3 GLN A 59 8.428 -1.197 -6.293 1.00 61.32 H new ATOM 0 HG2 GLN A 59 9.288 0.899 -7.561 1.00 21.33 H new ATOM 0 HG3 GLN A 59 10.796 0.015 -7.683 1.00 21.33 H new ATOM 0 HE21 GLN A 59 9.190 -2.591 -7.627 1.00 51.55 H new ATOM 0 HE22 GLN A 59 8.487 -2.722 -9.243 1.00 51.55 H new ATOM 997 N GLU A 60 11.002 1.985 -5.308 1.00 74.35 N ATOM 998 CA GLU A 60 12.220 2.746 -5.159 1.00 52.42 C ATOM 999 C GLU A 60 12.416 3.203 -3.717 1.00 23.03 C ATOM 1000 O GLU A 60 13.532 3.353 -3.241 1.00 21.51 O ATOM 1001 CB GLU A 60 12.232 3.887 -6.220 1.00 43.34 C ATOM 1002 CG GLU A 60 13.337 4.955 -6.155 1.00 42.12 C ATOM 1003 CD GLU A 60 13.122 6.021 -5.075 1.00 63.23 C ATOM 1004 OE1 GLU A 60 12.122 6.779 -5.157 1.00 34.31 O ATOM 1005 OE2 GLU A 60 13.965 6.162 -4.179 1.00 64.42 O ATOM 0 H GLU A 60 10.257 2.477 -5.801 1.00 74.35 H new ATOM 0 HA GLU A 60 13.092 2.123 -5.358 1.00 52.42 H new ATOM 0 HB2 GLU A 60 12.283 3.421 -7.204 1.00 43.34 H new ATOM 0 HB3 GLU A 60 11.273 4.402 -6.160 1.00 43.34 H new ATOM 0 HG2 GLU A 60 14.293 4.462 -5.977 1.00 42.12 H new ATOM 0 HG3 GLU A 60 13.408 5.447 -7.125 1.00 42.12 H new ATOM 1012 N TYR A 61 11.350 3.309 -3.014 1.00 74.02 N ATOM 1013 CA TYR A 61 11.388 3.844 -1.701 1.00 63.42 C ATOM 1014 C TYR A 61 11.289 2.742 -0.670 1.00 12.44 C ATOM 1015 O TYR A 61 12.224 2.482 0.071 1.00 42.24 O ATOM 1016 CB TYR A 61 10.265 4.866 -1.570 1.00 33.14 C ATOM 1017 CG TYR A 61 10.106 5.506 -0.229 1.00 25.54 C ATOM 1018 CD1 TYR A 61 11.202 5.914 0.511 1.00 41.23 C ATOM 1019 CD2 TYR A 61 8.847 5.731 0.282 1.00 33.22 C ATOM 1020 CE1 TYR A 61 11.047 6.525 1.728 1.00 53.23 C ATOM 1021 CE2 TYR A 61 8.680 6.341 1.506 1.00 32.43 C ATOM 1022 CZ TYR A 61 9.784 6.735 2.223 1.00 73.03 C ATOM 1023 OH TYR A 61 9.623 7.352 3.442 1.00 13.11 O ATOM 0 H TYR A 61 10.423 3.027 -3.332 1.00 74.02 H new ATOM 0 HA TYR A 61 12.340 4.344 -1.520 1.00 63.42 H new ATOM 0 HB2 TYR A 61 10.430 5.652 -2.307 1.00 33.14 H new ATOM 0 HB3 TYR A 61 9.326 4.378 -1.830 1.00 33.14 H new ATOM 0 HD1 TYR A 61 12.196 5.748 0.123 1.00 41.23 H new ATOM 0 HD2 TYR A 61 7.979 5.425 -0.284 1.00 33.22 H new ATOM 0 HE1 TYR A 61 11.912 6.839 2.293 1.00 53.23 H new ATOM 0 HE2 TYR A 61 7.688 6.508 1.899 1.00 32.43 H new ATOM 0 HH TYR A 61 8.668 7.426 3.648 1.00 13.11 H new ATOM 1033 N LEU A 62 10.206 2.049 -0.685 1.00 14.51 N ATOM 1034 CA LEU A 62 9.944 1.023 0.304 1.00 11.13 C ATOM 1035 C LEU A 62 10.678 -0.269 0.012 1.00 62.35 C ATOM 1036 O LEU A 62 10.761 -1.143 0.866 1.00 51.11 O ATOM 1037 CB LEU A 62 8.447 0.792 0.441 1.00 44.55 C ATOM 1038 CG LEU A 62 7.800 1.215 1.771 1.00 2.15 C ATOM 1039 CD1 LEU A 62 8.257 0.315 2.905 1.00 43.22 C ATOM 1040 CD2 LEU A 62 8.135 2.656 2.085 1.00 1.25 C ATOM 0 H LEU A 62 9.466 2.165 -1.377 1.00 14.51 H new ATOM 0 HA LEU A 62 10.331 1.383 1.257 1.00 11.13 H new ATOM 0 HB2 LEU A 62 7.945 1.326 -0.366 1.00 44.55 H new ATOM 0 HB3 LEU A 62 8.252 -0.270 0.290 1.00 44.55 H new ATOM 0 HG LEU A 62 6.719 1.118 1.668 1.00 2.15 H new ATOM 0 HD11 LEU A 62 7.786 0.634 3.835 1.00 43.22 H new ATOM 0 HD12 LEU A 62 7.973 -0.715 2.689 1.00 43.22 H new ATOM 0 HD13 LEU A 62 9.340 0.379 3.006 1.00 43.22 H new ATOM 0 HD21 LEU A 62 7.670 2.940 3.029 1.00 1.25 H new ATOM 0 HD22 LEU A 62 9.216 2.769 2.165 1.00 1.25 H new ATOM 0 HD23 LEU A 62 7.761 3.299 1.288 1.00 1.25 H new ATOM 1052 N GLU A 63 11.248 -0.377 -1.161 1.00 34.21 N ATOM 1053 CA GLU A 63 11.961 -1.598 -1.507 1.00 61.34 C ATOM 1054 C GLU A 63 13.431 -1.384 -1.551 1.00 63.12 C ATOM 1055 O GLU A 63 14.208 -2.315 -1.352 1.00 44.43 O ATOM 1056 CB GLU A 63 11.432 -2.271 -2.777 1.00 30.33 C ATOM 1057 CG GLU A 63 10.170 -3.078 -2.568 1.00 72.14 C ATOM 1058 CD GLU A 63 10.447 -4.300 -1.733 1.00 4.30 C ATOM 1059 OE1 GLU A 63 10.779 -5.357 -2.314 1.00 53.23 O ATOM 1060 OE2 GLU A 63 10.383 -4.227 -0.511 1.00 72.52 O ATOM 0 H GLU A 63 11.239 0.343 -1.884 1.00 34.21 H new ATOM 0 HA GLU A 63 11.761 -2.304 -0.701 1.00 61.34 H new ATOM 0 HB2 GLU A 63 11.240 -1.505 -3.528 1.00 30.33 H new ATOM 0 HB3 GLU A 63 12.206 -2.925 -3.178 1.00 30.33 H new ATOM 0 HG2 GLU A 63 9.416 -2.461 -2.079 1.00 72.14 H new ATOM 0 HG3 GLU A 63 9.760 -3.377 -3.533 1.00 72.14 H new ATOM 1067 N LYS A 64 13.828 -0.169 -1.811 1.00 5.13 N ATOM 1068 CA LYS A 64 15.221 0.130 -1.843 1.00 14.01 C ATOM 1069 C LYS A 64 15.645 0.821 -0.554 1.00 64.42 C ATOM 1070 O LYS A 64 16.600 0.428 0.070 1.00 0.13 O ATOM 1071 CB LYS A 64 15.595 0.954 -3.117 1.00 4.41 C ATOM 1072 CG LYS A 64 17.104 1.236 -3.341 1.00 15.22 C ATOM 1073 CD LYS A 64 17.712 2.194 -2.313 1.00 14.42 C ATOM 1074 CE LYS A 64 19.207 2.339 -2.479 1.00 62.00 C ATOM 1075 NZ LYS A 64 19.901 1.037 -2.371 1.00 52.25 N ATOM 0 H LYS A 64 13.209 0.619 -2.001 1.00 5.13 H new ATOM 0 HA LYS A 64 15.778 -0.805 -1.908 1.00 14.01 H new ATOM 0 HB2 LYS A 64 15.214 0.424 -3.990 1.00 4.41 H new ATOM 0 HB3 LYS A 64 15.073 1.910 -3.071 1.00 4.41 H new ATOM 0 HG2 LYS A 64 17.649 0.292 -3.311 1.00 15.22 H new ATOM 0 HG3 LYS A 64 17.242 1.653 -4.339 1.00 15.22 H new ATOM 0 HD2 LYS A 64 17.241 3.173 -2.409 1.00 14.42 H new ATOM 0 HD3 LYS A 64 17.494 1.832 -1.308 1.00 14.42 H new ATOM 0 HE2 LYS A 64 19.423 2.787 -3.449 1.00 62.00 H new ATOM 0 HE3 LYS A 64 19.592 3.020 -1.720 1.00 62.00 H new ATOM 0 HZ1 LYS A 64 20.908 1.196 -2.168 1.00 52.25 H new ATOM 0 HZ2 LYS A 64 19.476 0.480 -1.602 1.00 52.25 H new ATOM 0 HZ3 LYS A 64 19.807 0.518 -3.267 1.00 52.25 H new ATOM 1089 N ALA A 65 14.922 1.804 -0.127 1.00 42.14 N ATOM 1090 CA ALA A 65 15.408 2.578 1.016 1.00 24.32 C ATOM 1091 C ALA A 65 15.118 1.865 2.320 1.00 50.23 C ATOM 1092 O ALA A 65 15.906 1.895 3.270 1.00 41.20 O ATOM 1093 CB ALA A 65 14.845 3.989 1.014 1.00 32.43 C ATOM 0 H ALA A 65 14.027 2.098 -0.518 1.00 42.14 H new ATOM 0 HA ALA A 65 16.490 2.664 0.921 1.00 24.32 H new ATOM 0 HB1 ALA A 65 15.227 4.534 1.877 1.00 32.43 H new ATOM 0 HB2 ALA A 65 15.146 4.500 0.099 1.00 32.43 H new ATOM 0 HB3 ALA A 65 13.757 3.947 1.064 1.00 32.43 H new ATOM 1099 N LEU A 66 14.015 1.208 2.343 1.00 13.41 N ATOM 1100 CA LEU A 66 13.571 0.470 3.497 1.00 50.24 C ATOM 1101 C LEU A 66 14.047 -0.945 3.483 1.00 72.35 C ATOM 1102 O LEU A 66 13.885 -1.665 4.472 1.00 73.14 O ATOM 1103 CB LEU A 66 12.039 0.485 3.595 1.00 61.04 C ATOM 1104 CG LEU A 66 11.368 1.747 4.201 1.00 32.24 C ATOM 1105 CD1 LEU A 66 11.819 1.963 5.635 1.00 42.24 C ATOM 1106 CD2 LEU A 66 11.638 2.997 3.368 1.00 43.04 C ATOM 0 H LEU A 66 13.374 1.160 1.551 1.00 13.41 H new ATOM 0 HA LEU A 66 14.003 0.965 4.367 1.00 50.24 H new ATOM 0 HB2 LEU A 66 11.637 0.340 2.592 1.00 61.04 H new ATOM 0 HB3 LEU A 66 11.732 -0.376 4.189 1.00 61.04 H new ATOM 0 HG LEU A 66 10.292 1.571 4.191 1.00 32.24 H new ATOM 0 HD11 LEU A 66 11.336 2.853 6.038 1.00 42.24 H new ATOM 0 HD12 LEU A 66 11.545 1.097 6.237 1.00 42.24 H new ATOM 0 HD13 LEU A 66 12.901 2.095 5.660 1.00 42.24 H new ATOM 0 HD21 LEU A 66 11.149 3.855 3.830 1.00 43.04 H new ATOM 0 HD22 LEU A 66 12.712 3.175 3.317 1.00 43.04 H new ATOM 0 HD23 LEU A 66 11.246 2.855 2.361 1.00 43.04 H new ATOM 1118 N ASN A 67 14.640 -1.368 2.395 1.00 53.14 N ATOM 1119 CA ASN A 67 14.880 -2.772 2.260 1.00 13.43 C ATOM 1120 C ASN A 67 16.106 -3.099 1.386 1.00 73.31 C ATOM 1121 O ASN A 67 16.332 -4.254 1.034 1.00 31.12 O ATOM 1122 CB ASN A 67 13.573 -3.357 1.704 1.00 35.03 C ATOM 1123 CG ASN A 67 13.491 -4.850 1.646 1.00 3.12 C ATOM 1124 OD1 ASN A 67 14.159 -5.564 2.391 1.00 44.33 O ATOM 1125 ND2 ASN A 67 12.587 -5.322 0.858 1.00 72.24 N ATOM 0 H ASN A 67 14.953 -0.783 1.620 1.00 53.14 H new ATOM 0 HA ASN A 67 15.136 -3.219 3.221 1.00 13.43 H new ATOM 0 HB2 ASN A 67 12.747 -2.992 2.314 1.00 35.03 H new ATOM 0 HB3 ASN A 67 13.423 -2.966 0.698 1.00 35.03 H new ATOM 0 HD21 ASN A 67 12.403 -6.325 0.836 1.00 72.24 H new ATOM 0 HD22 ASN A 67 12.056 -4.693 0.256 1.00 72.24 H new ATOM 1132 N LYS A 68 16.917 -2.106 1.061 1.00 54.33 N ATOM 1133 CA LYS A 68 18.089 -2.369 0.241 1.00 61.25 C ATOM 1134 C LYS A 68 19.198 -1.377 0.592 1.00 61.12 C ATOM 1135 O LYS A 68 19.393 -0.379 -0.144 1.00 37.51 O ATOM 1136 CB LYS A 68 17.710 -2.223 -1.222 1.00 15.04 C ATOM 1137 CG LYS A 68 18.698 -2.829 -2.196 1.00 54.34 C ATOM 1138 CD LYS A 68 18.187 -2.706 -3.613 1.00 40.44 C ATOM 1139 CE LYS A 68 19.129 -3.348 -4.611 1.00 3.13 C ATOM 1140 NZ LYS A 68 18.602 -3.245 -5.981 1.00 22.45 N ATOM 1141 OXT LYS A 68 19.844 -1.554 1.631 1.00 37.51 O ATOM 0 H LYS A 68 16.792 -1.134 1.343 1.00 54.33 H new ATOM 0 HA LYS A 68 18.450 -3.381 0.427 1.00 61.25 H new ATOM 0 HB2 LYS A 68 16.736 -2.686 -1.379 1.00 15.04 H new ATOM 0 HB3 LYS A 68 17.599 -1.163 -1.450 1.00 15.04 H new ATOM 0 HG2 LYS A 68 19.661 -2.327 -2.106 1.00 54.34 H new ATOM 0 HG3 LYS A 68 18.861 -3.879 -1.952 1.00 54.34 H new ATOM 0 HD2 LYS A 68 17.206 -3.174 -3.687 1.00 40.44 H new ATOM 0 HD3 LYS A 68 18.057 -1.653 -3.862 1.00 40.44 H new ATOM 0 HE2 LYS A 68 20.105 -2.866 -4.557 1.00 3.13 H new ATOM 0 HE3 LYS A 68 19.277 -4.397 -4.353 1.00 3.13 H new ATOM 0 HZ1 LYS A 68 19.267 -3.693 -6.643 1.00 22.45 H new ATOM 0 HZ2 LYS A 68 17.682 -3.726 -6.036 1.00 22.45 H new ATOM 0 HZ3 LYS A 68 18.484 -2.243 -6.233 1.00 22.45 H new TER 1155 LYS A 68