USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 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 Set 1.1: A 31 THR OG1 : rot 24:sc= -1.87! USER MOD Set 1.2: A 37 GLN : amide:sc= -5.18! C(o=-7!,f=-8.5!) USER MOD Single : A 1 LYS N :NH3+ -119:sc= 0.0688 (180deg=-0.0354) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 6:sc= 0.676 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -170:sc= -1.05 USER MOD Single : A 17 HIS : no HD1:sc= -0.0039 X(o=-0.0039,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.337 K(o=0.34,f=-0.21) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.027 (180deg=-0.178) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= -0.0519 (180deg=-0.296) USER MOD Single : A 30 ASN : amide:sc= -0.974 K(o=-0.97,f=-0.3) USER MOD Single : A 33 ASN : amide:sc= -0.581 K(o=-0.58,f=-2.8!) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0.158 (180deg=0.137) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 45 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.82) USER MOD Single : A 46 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.5) USER MOD Single : A 48 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2!) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.0478 (180deg=-0.361) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= 1.27 (180deg=-0.0905) USER MOD Single : A 59 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.031) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -0.0662 (180deg=-0.346) USER MOD Single : A 67 ASN : amide:sc= 0.668 K(o=0.67,f=-0.019) USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0498) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -22.534 -4.473 -4.460 1.00 50.23 N ATOM 2 CA LYS A 1 -21.421 -3.520 -4.505 1.00 32.42 C ATOM 3 C LYS A 1 -20.138 -4.241 -4.858 1.00 2.35 C ATOM 4 O LYS A 1 -20.033 -5.435 -4.628 1.00 51.51 O ATOM 5 CB LYS A 1 -21.274 -2.780 -3.163 1.00 42.30 C ATOM 6 CG LYS A 1 -22.445 -1.877 -2.830 1.00 21.45 C ATOM 7 CD LYS A 1 -22.211 -1.113 -1.537 1.00 1.13 C ATOM 8 CE LYS A 1 -23.359 -0.159 -1.257 1.00 72.24 C ATOM 9 NZ LYS A 1 -23.139 0.643 -0.034 1.00 62.42 N ATOM 0 H1 LYS A 1 -23.247 -4.208 -5.169 1.00 50.23 H new ATOM 0 H2 LYS A 1 -22.181 -5.429 -4.665 1.00 50.23 H new ATOM 0 H3 LYS A 1 -22.965 -4.459 -3.514 1.00 50.23 H new ATOM 0 HA LYS A 1 -21.633 -2.777 -5.274 1.00 32.42 H new ATOM 0 HB2 LYS A 1 -21.155 -3.514 -2.366 1.00 42.30 H new ATOM 0 HB3 LYS A 1 -20.362 -2.183 -3.186 1.00 42.30 H new ATOM 0 HG2 LYS A 1 -22.606 -1.172 -3.646 1.00 21.45 H new ATOM 0 HG3 LYS A 1 -23.352 -2.474 -2.741 1.00 21.45 H new ATOM 0 HD2 LYS A 1 -22.105 -1.814 -0.709 1.00 1.13 H new ATOM 0 HD3 LYS A 1 -21.277 -0.555 -1.603 1.00 1.13 H new ATOM 0 HE2 LYS A 1 -23.488 0.509 -2.108 1.00 72.24 H new ATOM 0 HE3 LYS A 1 -24.283 -0.727 -1.154 1.00 72.24 H new ATOM 0 HZ1 LYS A 1 -23.949 1.278 0.115 1.00 62.42 H new ATOM 0 HZ2 LYS A 1 -23.042 0.009 0.784 1.00 62.42 H new ATOM 0 HZ3 LYS A 1 -22.272 1.207 -0.140 1.00 62.42 H new ATOM 25 N PRO A 2 -19.118 -3.525 -5.416 1.00 30.32 N ATOM 26 CA PRO A 2 -17.814 -4.133 -5.805 1.00 73.11 C ATOM 27 C PRO A 2 -16.983 -4.607 -4.600 1.00 2.32 C ATOM 28 O PRO A 2 -15.855 -5.072 -4.744 1.00 13.42 O ATOM 29 CB PRO A 2 -17.096 -2.996 -6.536 1.00 1.12 C ATOM 30 CG PRO A 2 -17.709 -1.753 -5.991 1.00 31.55 C ATOM 31 CD PRO A 2 -19.152 -2.080 -5.749 1.00 1.24 C ATOM 0 HA PRO A 2 -17.957 -5.030 -6.408 1.00 73.11 H new ATOM 0 HB2 PRO A 2 -16.022 -3.022 -6.352 1.00 1.12 H new ATOM 0 HB3 PRO A 2 -17.236 -3.067 -7.615 1.00 1.12 H new ATOM 0 HG2 PRO A 2 -17.217 -1.447 -5.067 1.00 31.55 H new ATOM 0 HG3 PRO A 2 -17.608 -0.927 -6.695 1.00 31.55 H new ATOM 0 HD2 PRO A 2 -19.568 -1.488 -4.934 1.00 1.24 H new ATOM 0 HD3 PRO A 2 -19.763 -1.884 -6.630 1.00 1.24 H new ATOM 39 N VAL A 3 -17.548 -4.468 -3.440 1.00 42.34 N ATOM 40 CA VAL A 3 -16.941 -4.901 -2.215 1.00 51.53 C ATOM 41 C VAL A 3 -17.567 -6.216 -1.794 1.00 32.14 C ATOM 42 O VAL A 3 -18.764 -6.286 -1.513 1.00 34.22 O ATOM 43 CB VAL A 3 -17.125 -3.851 -1.093 1.00 32.35 C ATOM 44 CG1 VAL A 3 -16.537 -4.340 0.226 1.00 71.32 C ATOM 45 CG2 VAL A 3 -16.482 -2.546 -1.497 1.00 13.13 C ATOM 0 H VAL A 3 -18.465 -4.041 -3.314 1.00 42.34 H new ATOM 0 HA VAL A 3 -15.871 -5.028 -2.381 1.00 51.53 H new ATOM 0 HB VAL A 3 -18.194 -3.696 -0.947 1.00 32.35 H new ATOM 0 HG11 VAL A 3 -16.683 -3.580 0.993 1.00 71.32 H new ATOM 0 HG12 VAL A 3 -17.036 -5.261 0.528 1.00 71.32 H new ATOM 0 HG13 VAL A 3 -15.471 -4.530 0.101 1.00 71.32 H new ATOM 0 HG21 VAL A 3 -16.616 -1.813 -0.702 1.00 13.13 H new ATOM 0 HG22 VAL A 3 -15.417 -2.703 -1.670 1.00 13.13 H new ATOM 0 HG23 VAL A 3 -16.948 -2.179 -2.412 1.00 13.13 H new ATOM 55 N SER A 4 -16.790 -7.247 -1.803 1.00 73.25 N ATOM 56 CA SER A 4 -17.249 -8.543 -1.408 1.00 42.24 C ATOM 57 C SER A 4 -16.162 -9.227 -0.599 1.00 54.20 C ATOM 58 O SER A 4 -14.975 -9.151 -0.948 1.00 40.43 O ATOM 59 CB SER A 4 -17.577 -9.359 -2.653 1.00 33.21 C ATOM 60 OG SER A 4 -18.510 -8.662 -3.484 1.00 34.02 O ATOM 0 H SER A 4 -15.811 -7.217 -2.086 1.00 73.25 H new ATOM 0 HA SER A 4 -18.147 -8.456 -0.796 1.00 42.24 H new ATOM 0 HB2 SER A 4 -16.664 -9.560 -3.213 1.00 33.21 H new ATOM 0 HB3 SER A 4 -17.992 -10.324 -2.362 1.00 33.21 H new ATOM 0 HG SER A 4 -18.707 -9.201 -4.278 1.00 34.02 H new ATOM 66 N LEU A 5 -16.540 -9.875 0.476 1.00 21.33 N ATOM 67 CA LEU A 5 -15.578 -10.541 1.303 1.00 54.22 C ATOM 68 C LEU A 5 -15.265 -11.922 0.797 1.00 40.33 C ATOM 69 O LEU A 5 -15.829 -12.920 1.222 1.00 2.23 O ATOM 70 CB LEU A 5 -15.915 -10.520 2.811 1.00 2.15 C ATOM 71 CG LEU A 5 -15.835 -9.150 3.536 1.00 13.34 C ATOM 72 CD1 LEU A 5 -14.436 -8.557 3.434 1.00 24.11 C ATOM 73 CD2 LEU A 5 -16.875 -8.161 3.023 1.00 64.21 C ATOM 0 H LEU A 5 -17.506 -9.952 0.794 1.00 21.33 H new ATOM 0 HA LEU A 5 -14.665 -9.951 1.220 1.00 54.22 H new ATOM 0 HB2 LEU A 5 -16.925 -10.911 2.937 1.00 2.15 H new ATOM 0 HB3 LEU A 5 -15.241 -11.210 3.318 1.00 2.15 H new ATOM 0 HG LEU A 5 -16.058 -9.338 4.586 1.00 13.34 H new ATOM 0 HD11 LEU A 5 -14.409 -7.598 3.951 1.00 24.11 H new ATOM 0 HD12 LEU A 5 -13.718 -9.237 3.893 1.00 24.11 H new ATOM 0 HD13 LEU A 5 -14.178 -8.412 2.385 1.00 24.11 H new ATOM 0 HD21 LEU A 5 -16.778 -7.218 3.562 1.00 64.21 H new ATOM 0 HD22 LEU A 5 -16.719 -7.988 1.958 1.00 64.21 H new ATOM 0 HD23 LEU A 5 -17.874 -8.568 3.182 1.00 64.21 H new ATOM 85 N SER A 6 -14.454 -11.919 -0.209 1.00 14.52 N ATOM 86 CA SER A 6 -13.856 -13.075 -0.821 1.00 21.41 C ATOM 87 C SER A 6 -12.613 -12.558 -1.492 1.00 11.32 C ATOM 88 O SER A 6 -12.672 -11.967 -2.575 1.00 53.02 O ATOM 89 CB SER A 6 -14.795 -13.740 -1.843 1.00 41.25 C ATOM 90 OG SER A 6 -16.003 -14.189 -1.226 1.00 60.53 O ATOM 0 H SER A 6 -14.167 -11.051 -0.662 1.00 14.52 H new ATOM 0 HA SER A 6 -13.641 -13.847 -0.082 1.00 21.41 H new ATOM 0 HB2 SER A 6 -15.032 -13.031 -2.637 1.00 41.25 H new ATOM 0 HB3 SER A 6 -14.288 -14.584 -2.310 1.00 41.25 H new ATOM 0 HG SER A 6 -16.019 -13.899 -0.290 1.00 60.53 H new ATOM 96 N TYR A 7 -11.513 -12.706 -0.829 1.00 33.40 N ATOM 97 CA TYR A 7 -10.296 -12.086 -1.267 1.00 74.22 C ATOM 98 C TYR A 7 -9.125 -12.998 -1.129 1.00 64.43 C ATOM 99 O TYR A 7 -9.240 -14.106 -0.599 1.00 32.10 O ATOM 100 CB TYR A 7 -10.062 -10.796 -0.462 1.00 2.21 C ATOM 101 CG TYR A 7 -9.992 -10.996 1.058 1.00 44.52 C ATOM 102 CD1 TYR A 7 -8.822 -11.433 1.671 1.00 31.30 C ATOM 103 CD2 TYR A 7 -11.090 -10.735 1.871 1.00 43.55 C ATOM 104 CE1 TYR A 7 -8.743 -11.604 3.029 1.00 5.02 C ATOM 105 CE2 TYR A 7 -11.016 -10.908 3.244 1.00 63.10 C ATOM 106 CZ TYR A 7 -9.837 -11.342 3.813 1.00 55.34 C ATOM 107 OH TYR A 7 -9.746 -11.509 5.174 1.00 33.13 O ATOM 0 H TYR A 7 -11.428 -13.255 0.026 1.00 33.40 H new ATOM 0 HA TYR A 7 -10.399 -11.850 -2.326 1.00 74.22 H new ATOM 0 HB2 TYR A 7 -9.132 -10.337 -0.798 1.00 2.21 H new ATOM 0 HB3 TYR A 7 -10.864 -10.093 -0.686 1.00 2.21 H new ATOM 0 HD1 TYR A 7 -7.955 -11.643 1.062 1.00 31.30 H new ATOM 0 HD2 TYR A 7 -12.013 -10.393 1.426 1.00 43.55 H new ATOM 0 HE1 TYR A 7 -7.822 -11.944 3.480 1.00 5.02 H new ATOM 0 HE2 TYR A 7 -11.876 -10.704 3.865 1.00 63.10 H new ATOM 0 HH TYR A 7 -10.604 -11.282 5.590 1.00 33.13 H new ATOM 117 N ARG A 8 -8.012 -12.536 -1.611 1.00 62.30 N ATOM 118 CA ARG A 8 -6.773 -13.246 -1.498 1.00 71.34 C ATOM 119 C ARG A 8 -5.713 -12.355 -0.851 1.00 10.33 C ATOM 120 O ARG A 8 -4.587 -12.782 -0.550 1.00 52.23 O ATOM 121 CB ARG A 8 -6.376 -13.873 -2.859 1.00 41.54 C ATOM 122 CG ARG A 8 -6.233 -12.911 -4.046 1.00 51.42 C ATOM 123 CD ARG A 8 -4.871 -12.261 -4.136 1.00 12.10 C ATOM 124 NE ARG A 8 -3.792 -13.236 -4.347 1.00 1.14 N ATOM 125 CZ ARG A 8 -2.573 -12.948 -4.837 1.00 25.11 C ATOM 126 NH1 ARG A 8 -2.252 -11.692 -5.169 1.00 53.20 N ATOM 127 NH2 ARG A 8 -1.676 -13.916 -4.986 1.00 53.44 N ATOM 0 H ARG A 8 -7.937 -11.644 -2.100 1.00 62.30 H new ATOM 0 HA ARG A 8 -6.880 -14.097 -0.825 1.00 71.34 H new ATOM 0 HB2 ARG A 8 -5.429 -14.396 -2.729 1.00 41.54 H new ATOM 0 HB3 ARG A 8 -7.122 -14.624 -3.118 1.00 41.54 H new ATOM 0 HG2 ARG A 8 -6.429 -13.455 -4.970 1.00 51.42 H new ATOM 0 HG3 ARG A 8 -6.993 -12.134 -3.967 1.00 51.42 H new ATOM 0 HD2 ARG A 8 -4.870 -11.541 -4.954 1.00 12.10 H new ATOM 0 HD3 ARG A 8 -4.678 -11.703 -3.220 1.00 12.10 H new ATOM 0 HE ARG A 8 -3.983 -14.208 -4.103 1.00 1.14 H new ATOM 0 HH11 ARG A 8 -2.934 -10.943 -5.051 1.00 53.20 H new ATOM 0 HH12 ARG A 8 -1.325 -11.484 -5.540 1.00 53.20 H new ATOM 0 HH21 ARG A 8 -1.912 -14.874 -4.729 1.00 53.44 H new ATOM 0 HH22 ARG A 8 -0.751 -13.701 -5.357 1.00 53.44 H new ATOM 141 N CYS A 9 -6.106 -11.117 -0.618 1.00 4.13 N ATOM 142 CA CYS A 9 -5.300 -10.146 0.090 1.00 14.14 C ATOM 143 C CYS A 9 -6.249 -9.334 0.969 1.00 72.11 C ATOM 144 O CYS A 9 -7.343 -8.987 0.518 1.00 35.42 O ATOM 145 CB CYS A 9 -4.666 -9.157 -0.918 1.00 41.15 C ATOM 146 SG CYS A 9 -3.828 -9.899 -2.360 1.00 40.44 S ATOM 0 H CYS A 9 -7.010 -10.754 -0.921 1.00 4.13 H new ATOM 0 HA CYS A 9 -4.522 -10.652 0.662 1.00 14.14 H new ATOM 0 HB2 CYS A 9 -5.448 -8.491 -1.282 1.00 41.15 H new ATOM 0 HB3 CYS A 9 -3.945 -8.539 -0.383 1.00 41.15 H new ATOM 151 N PRO A 10 -5.868 -9.047 2.235 1.00 2.40 N ATOM 152 CA PRO A 10 -6.595 -8.108 3.102 1.00 23.33 C ATOM 153 C PRO A 10 -6.826 -6.799 2.373 1.00 34.23 C ATOM 154 O PRO A 10 -7.935 -6.244 2.388 1.00 33.44 O ATOM 155 CB PRO A 10 -5.631 -7.902 4.256 1.00 32.34 C ATOM 156 CG PRO A 10 -4.922 -9.191 4.359 1.00 1.04 C ATOM 157 CD PRO A 10 -4.779 -9.696 2.949 1.00 73.13 C ATOM 0 HA PRO A 10 -7.575 -8.470 3.413 1.00 23.33 H new ATOM 0 HB2 PRO A 10 -4.941 -7.081 4.059 1.00 32.34 H new ATOM 0 HB3 PRO A 10 -6.158 -7.661 5.179 1.00 32.34 H new ATOM 0 HG2 PRO A 10 -3.947 -9.064 4.829 1.00 1.04 H new ATOM 0 HG3 PRO A 10 -5.482 -9.897 4.972 1.00 1.04 H new ATOM 0 HD2 PRO A 10 -3.810 -9.432 2.526 1.00 73.13 H new ATOM 0 HD3 PRO A 10 -4.862 -10.782 2.903 1.00 73.13 H new ATOM 165 N CYS A 11 -5.774 -6.302 1.730 1.00 13.42 N ATOM 166 CA CYS A 11 -5.914 -5.169 0.854 1.00 72.32 C ATOM 167 C CYS A 11 -6.659 -5.554 -0.402 1.00 31.45 C ATOM 168 O CYS A 11 -6.082 -6.003 -1.392 1.00 34.44 O ATOM 169 CB CYS A 11 -4.593 -4.480 0.532 1.00 22.40 C ATOM 170 SG CYS A 11 -3.890 -3.537 1.911 1.00 3.41 S ATOM 0 H CYS A 11 -4.826 -6.671 1.805 1.00 13.42 H new ATOM 0 HA CYS A 11 -6.503 -4.430 1.397 1.00 72.32 H new ATOM 0 HB2 CYS A 11 -3.871 -5.233 0.216 1.00 22.40 H new ATOM 0 HB3 CYS A 11 -4.743 -3.808 -0.313 1.00 22.40 H new ATOM 175 N ARG A 12 -7.956 -5.451 -0.307 1.00 3.23 N ATOM 176 CA ARG A 12 -8.865 -5.723 -1.391 1.00 20.40 C ATOM 177 C ARG A 12 -8.866 -4.562 -2.345 1.00 41.25 C ATOM 178 O ARG A 12 -9.218 -4.688 -3.515 1.00 74.22 O ATOM 179 CB ARG A 12 -10.247 -5.934 -0.815 1.00 40.24 C ATOM 180 CG ARG A 12 -10.365 -7.190 0.024 1.00 51.21 C ATOM 181 CD ARG A 12 -11.639 -7.185 0.832 1.00 14.13 C ATOM 182 NE ARG A 12 -11.576 -6.188 1.916 1.00 64.23 N ATOM 183 CZ ARG A 12 -12.534 -5.307 2.221 1.00 1.15 C ATOM 184 NH1 ARG A 12 -13.574 -5.143 1.425 1.00 11.42 N ATOM 185 NH2 ARG A 12 -12.415 -4.557 3.301 1.00 62.51 N ATOM 0 H ARG A 12 -8.426 -5.167 0.553 1.00 3.23 H new ATOM 0 HA ARG A 12 -8.556 -6.617 -1.933 1.00 20.40 H new ATOM 0 HB2 ARG A 12 -10.513 -5.072 -0.204 1.00 40.24 H new ATOM 0 HB3 ARG A 12 -10.969 -5.982 -1.630 1.00 40.24 H new ATOM 0 HG2 ARG A 12 -10.345 -8.067 -0.623 1.00 51.21 H new ATOM 0 HG3 ARG A 12 -9.507 -7.267 0.692 1.00 51.21 H new ATOM 0 HD2 ARG A 12 -12.485 -6.966 0.181 1.00 14.13 H new ATOM 0 HD3 ARG A 12 -11.810 -8.175 1.254 1.00 14.13 H new ATOM 0 HE ARG A 12 -10.728 -6.169 2.482 1.00 64.23 H new ATOM 0 HH11 ARG A 12 -13.652 -5.691 0.568 1.00 11.42 H new ATOM 0 HH12 ARG A 12 -14.300 -4.468 1.667 1.00 11.42 H new ATOM 0 HH21 ARG A 12 -11.594 -4.651 3.899 1.00 62.51 H new ATOM 0 HH22 ARG A 12 -13.144 -3.884 3.537 1.00 62.51 H new ATOM 199 N PHE A 13 -8.465 -3.436 -1.835 1.00 35.21 N ATOM 200 CA PHE A 13 -8.364 -2.243 -2.598 1.00 2.42 C ATOM 201 C PHE A 13 -6.902 -1.955 -2.827 1.00 75.15 C ATOM 202 O PHE A 13 -6.082 -2.225 -1.968 1.00 3.50 O ATOM 203 CB PHE A 13 -8.978 -1.060 -1.835 1.00 72.23 C ATOM 204 CG PHE A 13 -10.428 -1.220 -1.451 1.00 51.25 C ATOM 205 CD1 PHE A 13 -10.777 -1.829 -0.253 1.00 53.01 C ATOM 206 CD2 PHE A 13 -11.435 -0.747 -2.271 1.00 72.01 C ATOM 207 CE1 PHE A 13 -12.099 -1.964 0.111 1.00 22.13 C ATOM 208 CE2 PHE A 13 -12.759 -0.881 -1.914 1.00 23.41 C ATOM 209 CZ PHE A 13 -13.091 -1.490 -0.720 1.00 23.30 C ATOM 0 H PHE A 13 -8.195 -3.326 -0.857 1.00 35.21 H new ATOM 0 HA PHE A 13 -8.897 -2.372 -3.540 1.00 2.42 H new ATOM 0 HB2 PHE A 13 -8.396 -0.893 -0.929 1.00 72.23 H new ATOM 0 HB3 PHE A 13 -8.879 -0.164 -2.447 1.00 72.23 H new ATOM 0 HD1 PHE A 13 -10.003 -2.201 0.401 1.00 53.01 H new ATOM 0 HD2 PHE A 13 -11.181 -0.266 -3.204 1.00 72.01 H new ATOM 0 HE1 PHE A 13 -12.357 -2.440 1.045 1.00 22.13 H new ATOM 0 HE2 PHE A 13 -13.536 -0.510 -2.567 1.00 23.41 H new ATOM 0 HZ PHE A 13 -14.128 -1.595 -0.437 1.00 23.30 H new ATOM 219 N PHE A 14 -6.589 -1.478 -3.978 1.00 45.03 N ATOM 220 CA PHE A 14 -5.272 -1.012 -4.314 1.00 72.14 C ATOM 221 C PHE A 14 -5.394 0.248 -5.117 1.00 51.40 C ATOM 222 O PHE A 14 -6.140 0.296 -6.103 1.00 72.23 O ATOM 223 CB PHE A 14 -4.443 -2.050 -5.086 1.00 2.44 C ATOM 224 CG PHE A 14 -3.949 -3.210 -4.273 1.00 33.52 C ATOM 225 CD1 PHE A 14 -3.096 -2.993 -3.211 1.00 34.25 C ATOM 226 CD2 PHE A 14 -4.318 -4.505 -4.572 1.00 74.43 C ATOM 227 CE1 PHE A 14 -2.617 -4.040 -2.461 1.00 12.23 C ATOM 228 CE2 PHE A 14 -3.837 -5.564 -3.828 1.00 24.31 C ATOM 229 CZ PHE A 14 -2.984 -5.330 -2.771 1.00 21.32 C ATOM 0 H PHE A 14 -7.257 -1.394 -4.744 1.00 45.03 H new ATOM 0 HA PHE A 14 -4.740 -0.827 -3.381 1.00 72.14 H new ATOM 0 HB2 PHE A 14 -5.047 -2.435 -5.908 1.00 2.44 H new ATOM 0 HB3 PHE A 14 -3.584 -1.547 -5.530 1.00 2.44 H new ATOM 0 HD1 PHE A 14 -2.800 -1.984 -2.965 1.00 34.25 H new ATOM 0 HD2 PHE A 14 -4.990 -4.693 -5.396 1.00 74.43 H new ATOM 0 HE1 PHE A 14 -1.954 -3.851 -1.630 1.00 12.23 H new ATOM 0 HE2 PHE A 14 -4.129 -6.574 -4.074 1.00 24.31 H new ATOM 0 HZ PHE A 14 -2.605 -6.156 -2.188 1.00 21.32 H new ATOM 239 N GLU A 15 -4.715 1.264 -4.697 1.00 30.04 N ATOM 240 CA GLU A 15 -4.752 2.516 -5.364 1.00 31.12 C ATOM 241 C GLU A 15 -3.389 2.829 -5.968 1.00 50.41 C ATOM 242 O GLU A 15 -2.366 2.768 -5.289 1.00 12.45 O ATOM 243 CB GLU A 15 -5.214 3.622 -4.403 1.00 63.14 C ATOM 244 CG GLU A 15 -5.400 4.970 -5.075 1.00 62.40 C ATOM 245 CD GLU A 15 -5.908 6.032 -4.143 1.00 0.51 C ATOM 246 OE1 GLU A 15 -7.136 6.086 -3.902 1.00 22.43 O ATOM 247 OE2 GLU A 15 -5.109 6.843 -3.670 1.00 10.22 O ATOM 0 H GLU A 15 -4.114 1.245 -3.873 1.00 30.04 H new ATOM 0 HA GLU A 15 -5.475 2.466 -6.179 1.00 31.12 H new ATOM 0 HB2 GLU A 15 -6.155 3.322 -3.942 1.00 63.14 H new ATOM 0 HB3 GLU A 15 -4.484 3.723 -3.600 1.00 63.14 H new ATOM 0 HG2 GLU A 15 -4.448 5.292 -5.498 1.00 62.40 H new ATOM 0 HG3 GLU A 15 -6.097 4.861 -5.906 1.00 62.40 H new ATOM 254 N SER A 16 -3.388 3.114 -7.242 1.00 62.03 N ATOM 255 CA SER A 16 -2.197 3.456 -7.968 1.00 12.35 C ATOM 256 C SER A 16 -2.054 4.988 -8.036 1.00 32.34 C ATOM 257 O SER A 16 -1.026 5.519 -8.449 1.00 55.11 O ATOM 258 CB SER A 16 -2.279 2.836 -9.379 1.00 71.41 C ATOM 259 OG SER A 16 -1.132 3.121 -10.159 1.00 33.14 O ATOM 0 H SER A 16 -4.232 3.115 -7.815 1.00 62.03 H new ATOM 0 HA SER A 16 -1.316 3.060 -7.463 1.00 12.35 H new ATOM 0 HB2 SER A 16 -2.398 1.756 -9.292 1.00 71.41 H new ATOM 0 HB3 SER A 16 -3.165 3.214 -9.889 1.00 71.41 H new ATOM 0 HG SER A 16 -1.291 2.849 -11.087 1.00 33.14 H new ATOM 265 N HIS A 17 -3.092 5.687 -7.600 1.00 23.05 N ATOM 266 CA HIS A 17 -3.111 7.160 -7.602 1.00 75.33 C ATOM 267 C HIS A 17 -2.461 7.745 -6.352 1.00 63.04 C ATOM 268 O HIS A 17 -2.589 8.941 -6.077 1.00 71.23 O ATOM 269 CB HIS A 17 -4.542 7.705 -7.734 1.00 65.22 C ATOM 270 CG HIS A 17 -5.176 7.540 -9.085 1.00 35.44 C ATOM 271 ND1 HIS A 17 -6.106 8.420 -9.581 1.00 13.34 N ATOM 272 CD2 HIS A 17 -5.034 6.587 -10.021 1.00 70.50 C ATOM 273 CE1 HIS A 17 -6.511 8.010 -10.764 1.00 31.54 C ATOM 274 NE2 HIS A 17 -5.876 6.897 -11.056 1.00 2.23 N ATOM 0 H HIS A 17 -3.944 5.262 -7.235 1.00 23.05 H new ATOM 0 HA HIS A 17 -2.529 7.469 -8.470 1.00 75.33 H new ATOM 0 HB2 HIS A 17 -5.170 7.209 -6.994 1.00 65.22 H new ATOM 0 HB3 HIS A 17 -4.532 8.766 -7.484 1.00 65.22 H new ATOM 0 HD2 HIS A 17 -4.376 5.732 -9.967 1.00 70.50 H new ATOM 0 HE1 HIS A 17 -7.241 8.504 -11.388 1.00 31.54 H new ATOM 0 HE2 HIS A 17 -5.991 6.354 -11.912 1.00 2.23 H new ATOM 283 N VAL A 18 -1.757 6.927 -5.621 1.00 25.03 N ATOM 284 CA VAL A 18 -1.094 7.353 -4.426 1.00 51.42 C ATOM 285 C VAL A 18 0.210 8.092 -4.759 1.00 14.30 C ATOM 286 O VAL A 18 1.052 7.587 -5.517 1.00 2.24 O ATOM 287 CB VAL A 18 -0.781 6.148 -3.521 1.00 63.43 C ATOM 288 CG1 VAL A 18 -0.109 6.599 -2.255 1.00 11.23 C ATOM 289 CG2 VAL A 18 -2.049 5.376 -3.203 1.00 32.04 C ATOM 0 H VAL A 18 -1.628 5.939 -5.841 1.00 25.03 H new ATOM 0 HA VAL A 18 -1.763 8.033 -3.899 1.00 51.42 H new ATOM 0 HB VAL A 18 -0.100 5.486 -4.056 1.00 63.43 H new ATOM 0 HG11 VAL A 18 0.104 5.733 -1.628 1.00 11.23 H new ATOM 0 HG12 VAL A 18 0.823 7.109 -2.499 1.00 11.23 H new ATOM 0 HG13 VAL A 18 -0.766 7.283 -1.718 1.00 11.23 H new ATOM 0 HG21 VAL A 18 -1.808 4.528 -2.562 1.00 32.04 H new ATOM 0 HG22 VAL A 18 -2.754 6.030 -2.689 1.00 32.04 H new ATOM 0 HG23 VAL A 18 -2.497 5.015 -4.129 1.00 32.04 H new ATOM 299 N ALA A 19 0.347 9.286 -4.225 1.00 73.22 N ATOM 300 CA ALA A 19 1.548 10.080 -4.385 1.00 53.21 C ATOM 301 C ALA A 19 2.337 10.025 -3.093 1.00 53.22 C ATOM 302 O ALA A 19 1.757 10.157 -2.020 1.00 33.45 O ATOM 303 CB ALA A 19 1.181 11.518 -4.702 1.00 63.24 C ATOM 0 H ALA A 19 -0.376 9.737 -3.664 1.00 73.22 H new ATOM 0 HA ALA A 19 2.146 9.685 -5.206 1.00 53.21 H new ATOM 0 HB1 ALA A 19 2.090 12.108 -4.821 1.00 63.24 H new ATOM 0 HB2 ALA A 19 0.604 11.551 -5.626 1.00 63.24 H new ATOM 0 HB3 ALA A 19 0.585 11.930 -3.887 1.00 63.24 H new ATOM 309 N ARG A 20 3.649 9.866 -3.188 1.00 1.20 N ATOM 310 CA ARG A 20 4.507 9.713 -2.005 1.00 35.33 C ATOM 311 C ARG A 20 4.497 10.971 -1.141 1.00 41.44 C ATOM 312 O ARG A 20 4.574 10.896 0.086 1.00 24.14 O ATOM 313 CB ARG A 20 5.939 9.371 -2.405 1.00 73.22 C ATOM 314 CG ARG A 20 6.859 9.105 -1.219 1.00 23.01 C ATOM 315 CD ARG A 20 8.276 8.807 -1.660 1.00 72.44 C ATOM 316 NE ARG A 20 8.868 9.922 -2.400 1.00 63.05 N ATOM 317 CZ ARG A 20 10.175 10.167 -2.507 1.00 51.34 C ATOM 318 NH1 ARG A 20 11.060 9.379 -1.896 1.00 62.31 N ATOM 319 NH2 ARG A 20 10.590 11.197 -3.227 1.00 14.40 N ATOM 0 H ARG A 20 4.152 9.838 -4.075 1.00 1.20 H new ATOM 0 HA ARG A 20 4.100 8.889 -1.419 1.00 35.33 H new ATOM 0 HB2 ARG A 20 5.927 8.491 -3.049 1.00 73.22 H new ATOM 0 HB3 ARG A 20 6.348 10.192 -2.994 1.00 73.22 H new ATOM 0 HG2 ARG A 20 6.859 9.972 -0.558 1.00 23.01 H new ATOM 0 HG3 ARG A 20 6.474 8.264 -0.642 1.00 23.01 H new ATOM 0 HD2 ARG A 20 8.889 8.587 -0.786 1.00 72.44 H new ATOM 0 HD3 ARG A 20 8.280 7.914 -2.285 1.00 72.44 H new ATOM 0 HE ARG A 20 8.230 10.563 -2.872 1.00 63.05 H new ATOM 0 HH11 ARG A 20 10.739 8.584 -1.343 1.00 62.31 H new ATOM 0 HH12 ARG A 20 12.058 9.571 -1.981 1.00 62.31 H new ATOM 0 HH21 ARG A 20 9.912 11.798 -3.696 1.00 14.40 H new ATOM 0 HH22 ARG A 20 11.588 11.390 -3.313 1.00 14.40 H new ATOM 333 N ALA A 21 4.377 12.116 -1.779 1.00 21.43 N ATOM 334 CA ALA A 21 4.339 13.397 -1.075 1.00 40.24 C ATOM 335 C ALA A 21 3.024 13.566 -0.309 1.00 73.23 C ATOM 336 O ALA A 21 2.888 14.449 0.539 1.00 5.15 O ATOM 337 CB ALA A 21 4.536 14.540 -2.052 1.00 75.13 C ATOM 0 H ALA A 21 4.303 12.194 -2.793 1.00 21.43 H new ATOM 0 HA ALA A 21 5.153 13.411 -0.350 1.00 40.24 H new ATOM 0 HB1 ALA A 21 4.505 15.488 -1.514 1.00 75.13 H new ATOM 0 HB2 ALA A 21 5.502 14.434 -2.546 1.00 75.13 H new ATOM 0 HB3 ALA A 21 3.742 14.521 -2.799 1.00 75.13 H new ATOM 343 N ASN A 22 2.067 12.711 -0.607 1.00 65.31 N ATOM 344 CA ASN A 22 0.764 12.761 0.036 1.00 3.11 C ATOM 345 C ASN A 22 0.719 11.674 1.127 1.00 53.52 C ATOM 346 O ASN A 22 -0.138 11.688 2.018 1.00 22.23 O ATOM 347 CB ASN A 22 -0.333 12.527 -1.038 1.00 72.14 C ATOM 348 CG ASN A 22 -1.771 12.904 -0.630 1.00 72.13 C ATOM 349 OD1 ASN A 22 -2.577 13.288 -1.476 1.00 32.20 O ATOM 350 ND2 ASN A 22 -2.104 12.801 0.622 1.00 43.41 N ATOM 0 H ASN A 22 2.166 11.966 -1.296 1.00 65.31 H new ATOM 0 HA ASN A 22 0.589 13.732 0.500 1.00 3.11 H new ATOM 0 HB2 ASN A 22 -0.068 13.097 -1.929 1.00 72.14 H new ATOM 0 HB3 ASN A 22 -0.320 11.474 -1.318 1.00 72.14 H new ATOM 0 HD21 ASN A 22 -3.050 13.041 0.920 1.00 43.41 H new ATOM 0 HD22 ASN A 22 -1.420 12.480 1.307 1.00 43.41 H new ATOM 357 N VAL A 23 1.669 10.764 1.065 1.00 53.31 N ATOM 358 CA VAL A 23 1.761 9.653 2.005 1.00 51.33 C ATOM 359 C VAL A 23 2.454 10.088 3.289 1.00 15.02 C ATOM 360 O VAL A 23 3.551 10.644 3.254 1.00 40.11 O ATOM 361 CB VAL A 23 2.549 8.452 1.391 1.00 24.11 C ATOM 362 CG1 VAL A 23 2.656 7.304 2.376 1.00 11.01 C ATOM 363 CG2 VAL A 23 1.890 7.971 0.126 1.00 31.21 C ATOM 0 H VAL A 23 2.406 10.769 0.359 1.00 53.31 H new ATOM 0 HA VAL A 23 0.742 9.336 2.226 1.00 51.33 H new ATOM 0 HB VAL A 23 3.553 8.807 1.158 1.00 24.11 H new ATOM 0 HG11 VAL A 23 3.210 6.483 1.920 1.00 11.01 H new ATOM 0 HG12 VAL A 23 3.179 7.640 3.271 1.00 11.01 H new ATOM 0 HG13 VAL A 23 1.657 6.962 2.646 1.00 11.01 H new ATOM 0 HG21 VAL A 23 2.456 7.134 -0.284 1.00 31.21 H new ATOM 0 HG22 VAL A 23 0.873 7.648 0.346 1.00 31.21 H new ATOM 0 HG23 VAL A 23 1.864 8.782 -0.602 1.00 31.21 H new ATOM 373 N LYS A 24 1.805 9.857 4.409 1.00 42.33 N ATOM 374 CA LYS A 24 2.368 10.131 5.684 1.00 21.20 C ATOM 375 C LYS A 24 3.388 9.041 5.995 1.00 4.41 C ATOM 376 O LYS A 24 4.583 9.299 6.183 1.00 75.35 O ATOM 377 CB LYS A 24 1.258 10.088 6.698 1.00 63.24 C ATOM 378 CG LYS A 24 1.660 10.470 8.047 1.00 2.44 C ATOM 379 CD LYS A 24 0.488 10.349 8.926 1.00 72.32 C ATOM 380 CE LYS A 24 -0.553 11.452 8.734 1.00 40.30 C ATOM 381 NZ LYS A 24 -0.037 12.795 9.086 1.00 64.51 N ATOM 0 H LYS A 24 0.862 9.469 4.445 1.00 42.33 H new ATOM 0 HA LYS A 24 2.853 11.107 5.704 1.00 21.20 H new ATOM 0 HB2 LYS A 24 0.456 10.750 6.370 1.00 63.24 H new ATOM 0 HB3 LYS A 24 0.847 9.079 6.726 1.00 63.24 H new ATOM 0 HG2 LYS A 24 2.467 9.828 8.399 1.00 2.44 H new ATOM 0 HG3 LYS A 24 2.038 11.492 8.056 1.00 2.44 H new ATOM 0 HD2 LYS A 24 0.014 9.383 8.751 1.00 72.32 H new ATOM 0 HD3 LYS A 24 0.823 10.357 9.963 1.00 72.32 H new ATOM 0 HE2 LYS A 24 -0.885 11.456 7.696 1.00 40.30 H new ATOM 0 HE3 LYS A 24 -1.427 11.231 9.347 1.00 40.30 H new ATOM 0 HZ1 LYS A 24 -0.825 13.472 9.118 1.00 64.51 H new ATOM 0 HZ2 LYS A 24 0.424 12.757 10.017 1.00 64.51 H new ATOM 0 HZ3 LYS A 24 0.653 13.100 8.370 1.00 64.51 H new ATOM 395 N ARG A 25 2.908 7.825 5.982 1.00 11.43 N ATOM 396 CA ARG A 25 3.700 6.657 6.252 1.00 51.32 C ATOM 397 C ARG A 25 3.127 5.509 5.443 1.00 72.51 C ATOM 398 O ARG A 25 1.921 5.495 5.167 1.00 11.44 O ATOM 399 CB ARG A 25 3.664 6.336 7.763 1.00 61.15 C ATOM 400 CG ARG A 25 4.463 5.104 8.188 1.00 32.13 C ATOM 401 CD ARG A 25 5.946 5.231 7.843 1.00 33.51 C ATOM 402 NE ARG A 25 6.690 4.023 8.224 1.00 72.34 N ATOM 403 CZ ARG A 25 7.856 3.621 7.681 1.00 4.43 C ATOM 404 NH1 ARG A 25 8.465 4.358 6.754 1.00 31.51 N ATOM 405 NH2 ARG A 25 8.424 2.492 8.096 1.00 42.03 N ATOM 0 H ARG A 25 1.931 7.616 5.778 1.00 11.43 H new ATOM 0 HA ARG A 25 4.740 6.823 5.972 1.00 51.32 H new ATOM 0 HB2 ARG A 25 4.041 7.200 8.310 1.00 61.15 H new ATOM 0 HB3 ARG A 25 2.626 6.197 8.064 1.00 61.15 H new ATOM 0 HG2 ARG A 25 4.353 4.954 9.262 1.00 32.13 H new ATOM 0 HG3 ARG A 25 4.052 4.220 7.699 1.00 32.13 H new ATOM 0 HD2 ARG A 25 6.058 5.407 6.773 1.00 33.51 H new ATOM 0 HD3 ARG A 25 6.367 6.096 8.355 1.00 33.51 H new ATOM 0 HE ARG A 25 6.291 3.440 8.960 1.00 72.34 H new ATOM 0 HH11 ARG A 25 8.049 5.238 6.447 1.00 31.51 H new ATOM 0 HH12 ARG A 25 9.347 4.043 6.351 1.00 31.51 H new ATOM 0 HH21 ARG A 25 7.977 1.933 8.823 1.00 42.03 H new ATOM 0 HH22 ARG A 25 9.307 2.185 7.687 1.00 42.03 H new ATOM 419 N LEU A 26 3.977 4.592 5.030 1.00 23.20 N ATOM 420 CA LEU A 26 3.538 3.438 4.301 1.00 62.12 C ATOM 421 C LEU A 26 4.280 2.217 4.778 1.00 70.21 C ATOM 422 O LEU A 26 5.347 2.328 5.400 1.00 32.22 O ATOM 423 CB LEU A 26 3.722 3.568 2.771 1.00 31.02 C ATOM 424 CG LEU A 26 5.149 3.585 2.202 1.00 72.00 C ATOM 425 CD1 LEU A 26 5.082 3.313 0.732 1.00 53.21 C ATOM 426 CD2 LEU A 26 5.832 4.923 2.412 1.00 12.11 C ATOM 0 H LEU A 26 4.983 4.632 5.193 1.00 23.20 H new ATOM 0 HA LEU A 26 2.469 3.347 4.492 1.00 62.12 H new ATOM 0 HB2 LEU A 26 3.188 2.742 2.302 1.00 31.02 H new ATOM 0 HB3 LEU A 26 3.228 4.487 2.455 1.00 31.02 H new ATOM 0 HG LEU A 26 5.727 2.823 2.725 1.00 72.00 H new ATOM 0 HD11 LEU A 26 6.089 3.322 0.314 1.00 53.21 H new ATOM 0 HD12 LEU A 26 4.628 2.337 0.563 1.00 53.21 H new ATOM 0 HD13 LEU A 26 4.481 4.082 0.247 1.00 53.21 H new ATOM 0 HD21 LEU A 26 6.838 4.888 1.994 1.00 12.11 H new ATOM 0 HD22 LEU A 26 5.259 5.706 1.915 1.00 12.11 H new ATOM 0 HD23 LEU A 26 5.890 5.138 3.479 1.00 12.11 H new ATOM 438 N LYS A 27 3.725 1.072 4.497 1.00 4.31 N ATOM 439 CA LYS A 27 4.324 -0.188 4.841 1.00 75.41 C ATOM 440 C LYS A 27 3.975 -1.185 3.755 1.00 13.54 C ATOM 441 O LYS A 27 2.884 -1.109 3.179 1.00 22.34 O ATOM 442 CB LYS A 27 3.789 -0.677 6.200 1.00 4.10 C ATOM 443 CG LYS A 27 4.398 -1.969 6.714 1.00 1.23 C ATOM 444 CD LYS A 27 5.854 -1.773 7.079 1.00 21.30 C ATOM 445 CE LYS A 27 6.035 -0.904 8.328 1.00 4.40 C ATOM 446 NZ LYS A 27 5.401 -1.501 9.528 1.00 74.11 N ATOM 0 H LYS A 27 2.830 0.986 4.015 1.00 4.31 H new ATOM 0 HA LYS A 27 5.406 -0.081 4.921 1.00 75.41 H new ATOM 0 HB2 LYS A 27 3.959 0.105 6.941 1.00 4.10 H new ATOM 0 HB3 LYS A 27 2.710 -0.811 6.120 1.00 4.10 H new ATOM 0 HG2 LYS A 27 3.844 -2.315 7.586 1.00 1.23 H new ATOM 0 HG3 LYS A 27 4.311 -2.745 5.953 1.00 1.23 H new ATOM 0 HD2 LYS A 27 6.317 -2.745 7.247 1.00 21.30 H new ATOM 0 HD3 LYS A 27 6.376 -1.312 6.241 1.00 21.30 H new ATOM 0 HE2 LYS A 27 7.099 -0.760 8.516 1.00 4.40 H new ATOM 0 HE3 LYS A 27 5.607 0.082 8.147 1.00 4.40 H new ATOM 0 HZ1 LYS A 27 5.769 -1.036 10.383 1.00 74.11 H new ATOM 0 HZ2 LYS A 27 4.371 -1.369 9.478 1.00 74.11 H new ATOM 0 HZ3 LYS A 27 5.618 -2.517 9.566 1.00 74.11 H new ATOM 460 N ILE A 28 4.883 -2.080 3.465 1.00 70.20 N ATOM 461 CA ILE A 28 4.664 -3.108 2.480 1.00 71.45 C ATOM 462 C ILE A 28 4.638 -4.467 3.157 1.00 64.41 C ATOM 463 O ILE A 28 5.634 -4.921 3.722 1.00 51.33 O ATOM 464 CB ILE A 28 5.739 -3.093 1.348 1.00 11.50 C ATOM 465 CG1 ILE A 28 5.668 -1.793 0.541 1.00 71.33 C ATOM 466 CG2 ILE A 28 5.618 -4.300 0.435 1.00 4.15 C ATOM 467 CD1 ILE A 28 6.602 -1.755 -0.654 1.00 44.00 C ATOM 0 H ILE A 28 5.801 -2.117 3.908 1.00 70.20 H new ATOM 0 HA ILE A 28 3.702 -2.908 2.008 1.00 71.45 H new ATOM 0 HB ILE A 28 6.715 -3.146 1.831 1.00 11.50 H new ATOM 0 HG12 ILE A 28 4.645 -1.649 0.194 1.00 71.33 H new ATOM 0 HG13 ILE A 28 5.902 -0.956 1.199 1.00 71.33 H new ATOM 0 HG21 ILE A 28 6.385 -4.250 -0.338 1.00 4.15 H new ATOM 0 HG22 ILE A 28 5.750 -5.212 1.018 1.00 4.15 H new ATOM 0 HG23 ILE A 28 4.633 -4.306 -0.031 1.00 4.15 H new ATOM 0 HD11 ILE A 28 6.491 -0.802 -1.172 1.00 44.00 H new ATOM 0 HD12 ILE A 28 7.632 -1.866 -0.315 1.00 44.00 H new ATOM 0 HD13 ILE A 28 6.355 -2.569 -1.335 1.00 44.00 H new ATOM 479 N LEU A 29 3.501 -5.091 3.127 1.00 34.01 N ATOM 480 CA LEU A 29 3.343 -6.387 3.701 1.00 11.13 C ATOM 481 C LEU A 29 3.579 -7.420 2.630 1.00 62.41 C ATOM 482 O LEU A 29 2.769 -7.563 1.704 1.00 24.14 O ATOM 483 CB LEU A 29 1.922 -6.560 4.250 1.00 50.23 C ATOM 484 CG LEU A 29 1.456 -5.545 5.295 1.00 53.04 C ATOM 485 CD1 LEU A 29 0.019 -5.834 5.705 1.00 23.02 C ATOM 486 CD2 LEU A 29 2.370 -5.561 6.507 1.00 12.31 C ATOM 0 H LEU A 29 2.655 -4.712 2.702 1.00 34.01 H new ATOM 0 HA LEU A 29 4.056 -6.506 4.517 1.00 11.13 H new ATOM 0 HB2 LEU A 29 1.227 -6.526 3.411 1.00 50.23 H new ATOM 0 HB3 LEU A 29 1.846 -7.556 4.687 1.00 50.23 H new ATOM 0 HG LEU A 29 1.499 -4.550 4.852 1.00 53.04 H new ATOM 0 HD11 LEU A 29 -0.301 -5.105 6.449 1.00 23.02 H new ATOM 0 HD12 LEU A 29 -0.629 -5.769 4.831 1.00 23.02 H new ATOM 0 HD13 LEU A 29 -0.044 -6.836 6.129 1.00 23.02 H new ATOM 0 HD21 LEU A 29 2.019 -4.831 7.237 1.00 12.31 H new ATOM 0 HD22 LEU A 29 2.363 -6.555 6.955 1.00 12.31 H new ATOM 0 HD23 LEU A 29 3.385 -5.309 6.201 1.00 12.31 H new ATOM 498 N ASN A 30 4.676 -8.116 2.720 1.00 14.33 N ATOM 499 CA ASN A 30 4.958 -9.179 1.792 1.00 72.30 C ATOM 500 C ASN A 30 4.371 -10.461 2.324 1.00 52.22 C ATOM 501 O ASN A 30 5.012 -11.211 3.065 1.00 12.13 O ATOM 502 CB ASN A 30 6.462 -9.334 1.480 1.00 11.13 C ATOM 503 CG ASN A 30 7.073 -8.138 0.767 1.00 71.43 C ATOM 504 OD1 ASN A 30 7.538 -7.189 1.402 1.00 11.13 O ATOM 505 ND2 ASN A 30 7.112 -8.184 -0.542 1.00 1.34 N ATOM 0 H ASN A 30 5.394 -7.967 3.429 1.00 14.33 H new ATOM 0 HA ASN A 30 4.493 -8.925 0.840 1.00 72.30 H new ATOM 0 HB2 ASN A 30 7.000 -9.502 2.413 1.00 11.13 H new ATOM 0 HB3 ASN A 30 6.605 -10.222 0.865 1.00 11.13 H new ATOM 0 HD21 ASN A 30 7.537 -7.419 -1.067 1.00 1.34 H new ATOM 0 HD22 ASN A 30 6.718 -8.985 -1.036 1.00 1.34 H new ATOM 512 N THR A 31 3.123 -10.657 2.027 1.00 51.14 N ATOM 513 CA THR A 31 2.384 -11.805 2.471 1.00 45.13 C ATOM 514 C THR A 31 2.502 -12.930 1.445 1.00 51.23 C ATOM 515 O THR A 31 2.427 -12.668 0.246 1.00 2.33 O ATOM 516 CB THR A 31 0.918 -11.409 2.625 1.00 33.25 C ATOM 517 OG1 THR A 31 0.477 -10.862 1.368 1.00 44.35 O ATOM 518 CG2 THR A 31 0.763 -10.358 3.721 1.00 64.42 C ATOM 0 H THR A 31 2.576 -10.011 1.457 1.00 51.14 H new ATOM 0 HA THR A 31 2.783 -12.154 3.424 1.00 45.13 H new ATOM 0 HB THR A 31 0.323 -12.280 2.900 1.00 33.25 H new ATOM 0 HG1 THR A 31 1.040 -11.209 0.645 1.00 44.35 H new ATOM 0 HG21 THR A 31 -0.288 -10.086 3.818 1.00 64.42 H new ATOM 0 HG22 THR A 31 1.122 -10.763 4.667 1.00 64.42 H new ATOM 0 HG23 THR A 31 1.344 -9.473 3.461 1.00 64.42 H new ATOM 526 N PRO A 32 2.676 -14.182 1.890 1.00 74.11 N ATOM 527 CA PRO A 32 2.817 -15.343 0.982 1.00 21.43 C ATOM 528 C PRO A 32 1.513 -15.661 0.239 1.00 23.31 C ATOM 529 O PRO A 32 1.522 -16.175 -0.879 1.00 11.22 O ATOM 530 CB PRO A 32 3.164 -16.489 1.936 1.00 72.12 C ATOM 531 CG PRO A 32 2.604 -16.069 3.248 1.00 14.55 C ATOM 532 CD PRO A 32 2.767 -14.582 3.308 1.00 30.01 C ATOM 0 HA PRO A 32 3.560 -15.165 0.204 1.00 21.43 H new ATOM 0 HB2 PRO A 32 2.726 -17.429 1.601 1.00 72.12 H new ATOM 0 HB3 PRO A 32 4.242 -16.642 1.996 1.00 72.12 H new ATOM 0 HG2 PRO A 32 1.554 -16.350 3.332 1.00 14.55 H new ATOM 0 HG3 PRO A 32 3.131 -16.553 4.070 1.00 14.55 H new ATOM 0 HD2 PRO A 32 1.988 -14.114 3.910 1.00 30.01 H new ATOM 0 HD3 PRO A 32 3.723 -14.298 3.747 1.00 30.01 H new ATOM 540 N ASN A 33 0.411 -15.340 0.880 1.00 35.53 N ATOM 541 CA ASN A 33 -0.928 -15.582 0.351 1.00 3.41 C ATOM 542 C ASN A 33 -1.271 -14.597 -0.749 1.00 25.11 C ATOM 543 O ASN A 33 -2.044 -14.901 -1.646 1.00 12.44 O ATOM 544 CB ASN A 33 -1.958 -15.475 1.480 1.00 10.05 C ATOM 545 CG ASN A 33 -1.893 -14.141 2.189 1.00 15.21 C ATOM 546 OD1 ASN A 33 -1.140 -13.982 3.148 1.00 13.51 O ATOM 547 ND2 ASN A 33 -2.658 -13.177 1.738 1.00 23.01 N ATOM 0 H ASN A 33 0.412 -14.896 1.798 1.00 35.53 H new ATOM 0 HA ASN A 33 -0.949 -16.586 -0.073 1.00 3.41 H new ATOM 0 HB2 ASN A 33 -2.958 -15.619 1.072 1.00 10.05 H new ATOM 0 HB3 ASN A 33 -1.790 -16.276 2.200 1.00 10.05 H new ATOM 0 HD21 ASN A 33 -2.640 -12.260 2.185 1.00 23.01 H new ATOM 0 HD22 ASN A 33 -3.271 -13.343 0.940 1.00 23.01 H new ATOM 554 N CYS A 34 -0.704 -13.425 -0.666 1.00 12.31 N ATOM 555 CA CYS A 34 -0.942 -12.405 -1.651 1.00 21.45 C ATOM 556 C CYS A 34 0.350 -12.141 -2.442 1.00 41.52 C ATOM 557 O CYS A 34 0.649 -12.858 -3.405 1.00 51.00 O ATOM 558 CB CYS A 34 -1.473 -11.127 -0.952 1.00 22.22 C ATOM 559 SG CYS A 34 -1.847 -9.709 -2.019 1.00 60.34 S ATOM 0 H CYS A 34 -0.067 -13.150 0.082 1.00 12.31 H new ATOM 0 HA CYS A 34 -1.701 -12.733 -2.362 1.00 21.45 H new ATOM 0 HB2 CYS A 34 -2.379 -11.390 -0.406 1.00 22.22 H new ATOM 0 HB3 CYS A 34 -0.736 -10.812 -0.214 1.00 22.22 H new ATOM 564 N ALA A 35 1.118 -11.168 -1.988 1.00 34.33 N ATOM 565 CA ALA A 35 2.410 -10.785 -2.540 1.00 73.14 C ATOM 566 C ALA A 35 2.849 -9.573 -1.795 1.00 24.05 C ATOM 567 O ALA A 35 3.621 -9.660 -0.855 1.00 23.21 O ATOM 568 CB ALA A 35 2.349 -10.494 -4.047 1.00 24.21 C ATOM 0 H ALA A 35 0.848 -10.595 -1.188 1.00 34.33 H new ATOM 0 HA ALA A 35 3.114 -11.610 -2.427 1.00 73.14 H new ATOM 0 HB1 ALA A 35 3.340 -10.214 -4.404 1.00 24.21 H new ATOM 0 HB2 ALA A 35 2.011 -11.385 -4.576 1.00 24.21 H new ATOM 0 HB3 ALA A 35 1.652 -9.676 -4.232 1.00 24.21 H new ATOM 574 N LEU A 36 2.296 -8.454 -2.166 1.00 42.20 N ATOM 575 CA LEU A 36 2.561 -7.211 -1.513 1.00 25.13 C ATOM 576 C LEU A 36 1.285 -6.503 -1.267 1.00 11.30 C ATOM 577 O LEU A 36 0.434 -6.411 -2.158 1.00 35.25 O ATOM 578 CB LEU A 36 3.466 -6.266 -2.320 1.00 45.32 C ATOM 579 CG LEU A 36 4.943 -6.623 -2.508 1.00 41.15 C ATOM 580 CD1 LEU A 36 5.145 -7.808 -3.422 1.00 3.12 C ATOM 581 CD2 LEU A 36 5.699 -5.410 -2.998 1.00 53.04 C ATOM 0 H LEU A 36 1.639 -8.382 -2.943 1.00 42.20 H new ATOM 0 HA LEU A 36 3.081 -7.464 -0.589 1.00 25.13 H new ATOM 0 HB2 LEU A 36 3.026 -6.158 -3.311 1.00 45.32 H new ATOM 0 HB3 LEU A 36 3.424 -5.286 -1.844 1.00 45.32 H new ATOM 0 HG LEU A 36 5.340 -6.925 -1.539 1.00 41.15 H new ATOM 0 HD11 LEU A 36 6.211 -8.016 -3.519 1.00 3.12 H new ATOM 0 HD12 LEU A 36 4.642 -8.680 -3.004 1.00 3.12 H new ATOM 0 HD13 LEU A 36 4.728 -7.585 -4.404 1.00 3.12 H new ATOM 0 HD21 LEU A 36 6.750 -5.666 -3.131 1.00 53.04 H new ATOM 0 HD22 LEU A 36 5.282 -5.081 -3.950 1.00 53.04 H new ATOM 0 HD23 LEU A 36 5.611 -4.607 -2.267 1.00 53.04 H new ATOM 593 N GLN A 37 1.124 -6.049 -0.077 1.00 71.43 N ATOM 594 CA GLN A 37 0.021 -5.224 0.264 1.00 21.33 C ATOM 595 C GLN A 37 0.640 -3.991 0.836 1.00 71.41 C ATOM 596 O GLN A 37 1.458 -4.078 1.742 1.00 43.11 O ATOM 597 CB GLN A 37 -0.823 -5.906 1.318 1.00 63.44 C ATOM 598 CG GLN A 37 -1.170 -7.339 0.977 1.00 14.50 C ATOM 599 CD GLN A 37 -1.971 -7.994 2.045 1.00 22.04 C ATOM 600 OE1 GLN A 37 -2.757 -7.351 2.724 1.00 60.43 O ATOM 601 NE2 GLN A 37 -1.741 -9.268 2.247 1.00 52.42 N ATOM 0 H GLN A 37 1.761 -6.241 0.696 1.00 71.43 H new ATOM 0 HA GLN A 37 -0.624 -5.014 -0.590 1.00 21.33 H new ATOM 0 HB2 GLN A 37 -0.290 -5.886 2.269 1.00 63.44 H new ATOM 0 HB3 GLN A 37 -1.744 -5.340 1.457 1.00 63.44 H new ATOM 0 HG2 GLN A 37 -1.728 -7.363 0.041 1.00 14.50 H new ATOM 0 HG3 GLN A 37 -0.252 -7.904 0.815 1.00 14.50 H new ATOM 0 HE21 GLN A 37 -1.076 -9.766 1.656 1.00 52.42 H new ATOM 0 HE22 GLN A 37 -2.227 -9.762 2.996 1.00 52.42 H new ATOM 610 N ILE A 38 0.298 -2.876 0.328 1.00 14.22 N ATOM 611 CA ILE A 38 0.931 -1.660 0.752 1.00 52.15 C ATOM 612 C ILE A 38 -0.122 -0.740 1.298 1.00 24.04 C ATOM 613 O ILE A 38 -1.250 -0.813 0.878 1.00 52.20 O ATOM 614 CB ILE A 38 1.599 -0.999 -0.453 1.00 72.21 C ATOM 615 CG1 ILE A 38 2.390 -2.043 -1.246 1.00 32.45 C ATOM 616 CG2 ILE A 38 2.529 0.126 0.007 1.00 10.32 C ATOM 617 CD1 ILE A 38 3.029 -1.499 -2.475 1.00 24.51 C ATOM 0 H ILE A 38 -0.420 -2.762 -0.388 1.00 14.22 H new ATOM 0 HA ILE A 38 1.679 -1.870 1.516 1.00 52.15 H new ATOM 0 HB ILE A 38 0.827 -0.573 -1.094 1.00 72.21 H new ATOM 0 HG12 ILE A 38 3.161 -2.468 -0.603 1.00 32.45 H new ATOM 0 HG13 ILE A 38 1.722 -2.858 -1.524 1.00 32.45 H new ATOM 0 HG21 ILE A 38 2.998 0.588 -0.862 1.00 10.32 H new ATOM 0 HG22 ILE A 38 1.953 0.875 0.550 1.00 10.32 H new ATOM 0 HG23 ILE A 38 3.299 -0.283 0.661 1.00 10.32 H new ATOM 0 HD11 ILE A 38 3.572 -2.295 -2.986 1.00 24.51 H new ATOM 0 HD12 ILE A 38 2.261 -1.100 -3.138 1.00 24.51 H new ATOM 0 HD13 ILE A 38 3.723 -0.703 -2.203 1.00 24.51 H new ATOM 629 N VAL A 39 0.232 0.115 2.223 1.00 14.22 N ATOM 630 CA VAL A 39 -0.742 1.020 2.815 1.00 54.05 C ATOM 631 C VAL A 39 -0.264 2.461 2.769 1.00 25.41 C ATOM 632 O VAL A 39 0.878 2.734 3.061 1.00 35.33 O ATOM 633 CB VAL A 39 -1.123 0.616 4.276 1.00 11.25 C ATOM 634 CG1 VAL A 39 -1.855 -0.721 4.297 1.00 65.54 C ATOM 635 CG2 VAL A 39 0.115 0.551 5.174 1.00 24.42 C ATOM 0 H VAL A 39 1.180 0.210 2.587 1.00 14.22 H new ATOM 0 HA VAL A 39 -1.644 0.937 2.209 1.00 54.05 H new ATOM 0 HB VAL A 39 -1.789 1.386 4.665 1.00 11.25 H new ATOM 0 HG11 VAL A 39 -2.109 -0.980 5.325 1.00 65.54 H new ATOM 0 HG12 VAL A 39 -2.767 -0.646 3.705 1.00 65.54 H new ATOM 0 HG13 VAL A 39 -1.212 -1.494 3.876 1.00 65.54 H new ATOM 0 HG21 VAL A 39 -0.182 0.268 6.184 1.00 24.42 H new ATOM 0 HG22 VAL A 39 0.812 -0.189 4.780 1.00 24.42 H new ATOM 0 HG23 VAL A 39 0.598 1.528 5.199 1.00 24.42 H new ATOM 645 N ALA A 40 -1.134 3.359 2.360 1.00 13.25 N ATOM 646 CA ALA A 40 -0.821 4.778 2.297 1.00 31.45 C ATOM 647 C ALA A 40 -1.758 5.549 3.157 1.00 63.03 C ATOM 648 O ALA A 40 -2.957 5.613 2.869 1.00 33.12 O ATOM 649 CB ALA A 40 -0.962 5.312 0.875 1.00 23.34 C ATOM 0 H ALA A 40 -2.082 3.129 2.060 1.00 13.25 H new ATOM 0 HA ALA A 40 0.208 4.896 2.638 1.00 31.45 H new ATOM 0 HB1 ALA A 40 -0.722 6.375 0.860 1.00 23.34 H new ATOM 0 HB2 ALA A 40 -0.279 4.776 0.216 1.00 23.34 H new ATOM 0 HB3 ALA A 40 -1.986 5.167 0.532 1.00 23.34 H new ATOM 655 N ARG A 41 -1.257 6.122 4.207 1.00 55.32 N ATOM 656 CA ARG A 41 -2.075 6.987 4.992 1.00 50.20 C ATOM 657 C ARG A 41 -1.808 8.391 4.576 1.00 11.42 C ATOM 658 O ARG A 41 -0.661 8.816 4.536 1.00 21.43 O ATOM 659 CB ARG A 41 -1.860 6.795 6.484 1.00 61.44 C ATOM 660 CG ARG A 41 -2.756 7.668 7.321 1.00 43.40 C ATOM 661 CD ARG A 41 -2.783 7.222 8.775 1.00 32.51 C ATOM 662 NE ARG A 41 -1.524 7.468 9.488 1.00 64.03 N ATOM 663 CZ ARG A 41 -0.830 6.553 10.181 1.00 30.51 C ATOM 664 NH1 ARG A 41 -1.191 5.283 10.163 1.00 1.22 N ATOM 665 NH2 ARG A 41 0.223 6.929 10.894 1.00 1.41 N ATOM 0 H ARG A 41 -0.298 6.008 4.536 1.00 55.32 H new ATOM 0 HA ARG A 41 -3.122 6.741 4.814 1.00 50.20 H new ATOM 0 HB2 ARG A 41 -2.036 5.750 6.740 1.00 61.44 H new ATOM 0 HB3 ARG A 41 -0.820 7.011 6.727 1.00 61.44 H new ATOM 0 HG2 ARG A 41 -2.413 8.701 7.264 1.00 43.40 H new ATOM 0 HG3 ARG A 41 -3.767 7.645 6.915 1.00 43.40 H new ATOM 0 HD2 ARG A 41 -3.591 7.741 9.291 1.00 32.51 H new ATOM 0 HD3 ARG A 41 -3.012 6.157 8.816 1.00 32.51 H new ATOM 0 HE ARG A 41 -1.145 8.414 9.454 1.00 64.03 H new ATOM 0 HH11 ARG A 41 -2.003 4.991 9.619 1.00 1.22 H new ATOM 0 HH12 ARG A 41 -0.658 4.594 10.693 1.00 1.22 H new ATOM 0 HH21 ARG A 41 0.502 7.910 10.914 1.00 1.41 H new ATOM 0 HH22 ARG A 41 0.754 6.237 11.423 1.00 1.41 H new ATOM 679 N LEU A 42 -2.849 9.103 4.239 1.00 51.31 N ATOM 680 CA LEU A 42 -2.686 10.459 3.735 1.00 62.53 C ATOM 681 C LEU A 42 -2.229 11.399 4.838 1.00 44.21 C ATOM 682 O LEU A 42 -2.578 11.215 5.996 1.00 75.52 O ATOM 683 CB LEU A 42 -3.962 11.004 3.059 1.00 33.04 C ATOM 684 CG LEU A 42 -4.582 10.181 1.905 1.00 21.45 C ATOM 685 CD1 LEU A 42 -5.393 11.056 0.949 1.00 40.33 C ATOM 686 CD2 LEU A 42 -3.568 9.321 1.158 1.00 10.32 C ATOM 0 H LEU A 42 -3.815 8.780 4.300 1.00 51.31 H new ATOM 0 HA LEU A 42 -1.914 10.410 2.967 1.00 62.53 H new ATOM 0 HB2 LEU A 42 -4.723 11.123 3.830 1.00 33.04 H new ATOM 0 HB3 LEU A 42 -3.737 11.999 2.676 1.00 33.04 H new ATOM 0 HG LEU A 42 -5.272 9.484 2.381 1.00 21.45 H new ATOM 0 HD11 LEU A 42 -5.810 10.437 0.154 1.00 40.33 H new ATOM 0 HD12 LEU A 42 -6.203 11.539 1.496 1.00 40.33 H new ATOM 0 HD13 LEU A 42 -4.745 11.817 0.514 1.00 40.33 H new ATOM 0 HD21 LEU A 42 -4.072 8.772 0.363 1.00 10.32 H new ATOM 0 HD22 LEU A 42 -2.798 9.960 0.726 1.00 10.32 H new ATOM 0 HD23 LEU A 42 -3.108 8.616 1.851 1.00 10.32 H new ATOM 698 N LYS A 43 -1.434 12.382 4.481 1.00 71.03 N ATOM 699 CA LYS A 43 -0.929 13.339 5.453 1.00 64.40 C ATOM 700 C LYS A 43 -2.028 14.248 6.010 1.00 72.55 C ATOM 701 O LYS A 43 -2.074 14.496 7.214 1.00 5.12 O ATOM 702 CB LYS A 43 0.161 14.202 4.840 1.00 1.51 C ATOM 703 CG LYS A 43 1.372 13.475 4.396 1.00 25.34 C ATOM 704 CD LYS A 43 2.332 14.450 3.785 1.00 34.54 C ATOM 705 CE LYS A 43 3.662 13.833 3.626 1.00 60.34 C ATOM 706 NZ LYS A 43 4.642 14.769 3.032 1.00 21.24 N ATOM 0 H LYS A 43 -1.120 12.544 3.524 1.00 71.03 H new ATOM 0 HA LYS A 43 -0.524 12.752 6.278 1.00 64.40 H new ATOM 0 HB2 LYS A 43 -0.257 14.733 3.985 1.00 1.51 H new ATOM 0 HB3 LYS A 43 0.457 14.956 5.569 1.00 1.51 H new ATOM 0 HG2 LYS A 43 1.838 12.968 5.241 1.00 25.34 H new ATOM 0 HG3 LYS A 43 1.105 12.706 3.671 1.00 25.34 H new ATOM 0 HD2 LYS A 43 1.958 14.778 2.815 1.00 34.54 H new ATOM 0 HD3 LYS A 43 2.409 15.337 4.414 1.00 34.54 H new ATOM 0 HE2 LYS A 43 4.024 13.498 4.598 1.00 60.34 H new ATOM 0 HE3 LYS A 43 3.578 12.948 2.995 1.00 60.34 H new ATOM 0 HZ1 LYS A 43 5.593 14.351 3.078 1.00 21.24 H new ATOM 0 HZ2 LYS A 43 4.391 14.950 2.039 1.00 21.24 H new ATOM 0 HZ3 LYS A 43 4.631 15.664 3.561 1.00 21.24 H new ATOM 720 N ASN A 44 -2.915 14.719 5.148 1.00 55.11 N ATOM 721 CA ASN A 44 -3.975 15.643 5.580 1.00 74.41 C ATOM 722 C ASN A 44 -5.279 14.915 5.744 1.00 52.14 C ATOM 723 O ASN A 44 -5.968 15.057 6.759 1.00 61.10 O ATOM 724 CB ASN A 44 -4.159 16.790 4.574 1.00 34.54 C ATOM 725 CG ASN A 44 -5.209 17.807 5.024 1.00 25.55 C ATOM 726 OD1 ASN A 44 -5.409 18.036 6.220 1.00 5.45 O ATOM 727 ND2 ASN A 44 -5.870 18.429 4.080 1.00 33.41 N ATOM 0 H ASN A 44 -2.931 14.486 4.155 1.00 55.11 H new ATOM 0 HA ASN A 44 -3.670 16.062 6.539 1.00 74.41 H new ATOM 0 HB2 ASN A 44 -3.205 17.298 4.430 1.00 34.54 H new ATOM 0 HB3 ASN A 44 -4.449 16.377 3.608 1.00 34.54 H new ATOM 0 HD21 ASN A 44 -6.574 19.126 4.324 1.00 33.41 H new ATOM 0 HD22 ASN A 44 -5.681 18.217 3.100 1.00 33.41 H new ATOM 734 N ASN A 45 -5.618 14.121 4.748 1.00 70.21 N ATOM 735 CA ASN A 45 -6.857 13.369 4.756 1.00 20.41 C ATOM 736 C ASN A 45 -6.807 12.330 5.853 1.00 62.15 C ATOM 737 O ASN A 45 -7.821 11.977 6.448 1.00 63.14 O ATOM 738 CB ASN A 45 -7.093 12.730 3.398 1.00 34.14 C ATOM 739 CG ASN A 45 -8.450 12.068 3.261 1.00 64.40 C ATOM 740 OD1 ASN A 45 -9.418 12.466 3.895 1.00 33.45 O ATOM 741 ND2 ASN A 45 -8.534 11.067 2.416 1.00 64.50 N ATOM 0 H ASN A 45 -5.046 13.979 3.915 1.00 70.21 H new ATOM 0 HA ASN A 45 -7.692 14.041 4.954 1.00 20.41 H new ATOM 0 HB2 ASN A 45 -6.991 13.492 2.626 1.00 34.14 H new ATOM 0 HB3 ASN A 45 -6.317 11.987 3.217 1.00 34.14 H new ATOM 0 HD21 ASN A 45 -9.427 10.595 2.271 1.00 64.50 H new ATOM 0 HD22 ASN A 45 -7.707 10.761 1.904 1.00 64.50 H new ATOM 748 N ASN A 46 -5.582 11.865 6.123 1.00 45.22 N ATOM 749 CA ASN A 46 -5.257 10.929 7.214 1.00 43.15 C ATOM 750 C ASN A 46 -5.951 9.565 7.028 1.00 72.05 C ATOM 751 O ASN A 46 -5.950 8.714 7.915 1.00 71.31 O ATOM 752 CB ASN A 46 -5.581 11.570 8.586 1.00 54.41 C ATOM 753 CG ASN A 46 -5.051 10.788 9.776 1.00 41.52 C ATOM 754 OD1 ASN A 46 -4.024 10.113 9.695 1.00 65.31 O ATOM 755 ND2 ASN A 46 -5.732 10.881 10.883 1.00 1.22 N ATOM 0 H ASN A 46 -4.765 12.135 5.576 1.00 45.22 H new ATOM 0 HA ASN A 46 -4.186 10.729 7.184 1.00 43.15 H new ATOM 0 HB2 ASN A 46 -5.165 12.577 8.612 1.00 54.41 H new ATOM 0 HB3 ASN A 46 -6.662 11.669 8.682 1.00 54.41 H new ATOM 0 HD21 ASN A 46 -5.419 10.386 11.718 1.00 1.22 H new ATOM 0 HD22 ASN A 46 -6.579 11.449 10.915 1.00 1.22 H new ATOM 762 N ARG A 47 -6.497 9.341 5.854 1.00 74.02 N ATOM 763 CA ARG A 47 -7.142 8.080 5.576 1.00 50.23 C ATOM 764 C ARG A 47 -6.156 7.200 4.898 1.00 14.52 C ATOM 765 O ARG A 47 -5.256 7.693 4.212 1.00 55.33 O ATOM 766 CB ARG A 47 -8.382 8.240 4.708 1.00 45.24 C ATOM 767 CG ARG A 47 -9.433 9.146 5.303 1.00 75.40 C ATOM 768 CD ARG A 47 -10.656 9.205 4.421 1.00 15.24 C ATOM 769 NE ARG A 47 -11.599 10.226 4.877 1.00 42.01 N ATOM 770 CZ ARG A 47 -12.691 10.609 4.214 1.00 53.13 C ATOM 771 NH1 ARG A 47 -13.069 9.957 3.116 1.00 41.11 N ATOM 772 NH2 ARG A 47 -13.425 11.627 4.670 1.00 11.15 N ATOM 0 H ARG A 47 -6.507 10.009 5.083 1.00 74.02 H new ATOM 0 HA ARG A 47 -7.476 7.644 6.517 1.00 50.23 H new ATOM 0 HB2 ARG A 47 -8.085 8.634 3.736 1.00 45.24 H new ATOM 0 HB3 ARG A 47 -8.820 7.257 4.533 1.00 45.24 H new ATOM 0 HG2 ARG A 47 -9.711 8.785 6.293 1.00 75.40 H new ATOM 0 HG3 ARG A 47 -9.024 10.148 5.432 1.00 75.40 H new ATOM 0 HD2 ARG A 47 -10.356 9.418 3.395 1.00 15.24 H new ATOM 0 HD3 ARG A 47 -11.147 8.232 4.414 1.00 15.24 H new ATOM 0 HE ARG A 47 -11.407 10.680 5.770 1.00 42.01 H new ATOM 0 HH11 ARG A 47 -12.523 9.163 2.781 1.00 41.11 H new ATOM 0 HH12 ARG A 47 -13.904 10.251 2.610 1.00 41.11 H new ATOM 0 HH21 ARG A 47 -13.150 12.111 5.525 1.00 11.15 H new ATOM 0 HH22 ARG A 47 -14.260 11.921 4.164 1.00 11.15 H new ATOM 786 N GLN A 48 -6.291 5.938 5.089 1.00 25.50 N ATOM 787 CA GLN A 48 -5.385 5.017 4.564 1.00 25.34 C ATOM 788 C GLN A 48 -5.998 4.161 3.481 1.00 64.14 C ATOM 789 O GLN A 48 -7.040 3.523 3.675 1.00 72.14 O ATOM 790 CB GLN A 48 -4.810 4.181 5.681 1.00 74.22 C ATOM 791 CG GLN A 48 -3.979 3.041 5.201 1.00 40.33 C ATOM 792 CD GLN A 48 -3.300 2.306 6.314 1.00 41.54 C ATOM 793 OE1 GLN A 48 -2.182 2.637 6.708 1.00 31.25 O ATOM 794 NE2 GLN A 48 -3.957 1.306 6.836 1.00 55.11 N ATOM 0 H GLN A 48 -7.052 5.522 5.626 1.00 25.50 H new ATOM 0 HA GLN A 48 -4.576 5.569 4.085 1.00 25.34 H new ATOM 0 HB2 GLN A 48 -4.203 4.817 6.325 1.00 74.22 H new ATOM 0 HB3 GLN A 48 -5.626 3.794 6.292 1.00 74.22 H new ATOM 0 HG2 GLN A 48 -4.610 2.347 4.646 1.00 40.33 H new ATOM 0 HG3 GLN A 48 -3.226 3.414 4.506 1.00 40.33 H new ATOM 0 HE21 GLN A 48 -4.882 1.063 6.481 1.00 55.11 H new ATOM 0 HE22 GLN A 48 -3.545 0.768 7.599 1.00 55.11 H new ATOM 803 N VAL A 49 -5.356 4.176 2.347 1.00 34.44 N ATOM 804 CA VAL A 49 -5.723 3.361 1.229 1.00 34.34 C ATOM 805 C VAL A 49 -4.564 2.451 0.906 1.00 14.41 C ATOM 806 O VAL A 49 -3.410 2.837 1.053 1.00 64.11 O ATOM 807 CB VAL A 49 -6.104 4.217 -0.028 1.00 25.32 C ATOM 808 CG1 VAL A 49 -7.344 5.053 0.251 1.00 61.03 C ATOM 809 CG2 VAL A 49 -4.950 5.122 -0.463 1.00 10.23 C ATOM 0 H VAL A 49 -4.545 4.769 2.173 1.00 34.44 H new ATOM 0 HA VAL A 49 -6.607 2.782 1.495 1.00 34.34 H new ATOM 0 HB VAL A 49 -6.316 3.525 -0.843 1.00 25.32 H new ATOM 0 HG11 VAL A 49 -7.593 5.640 -0.633 1.00 61.03 H new ATOM 0 HG12 VAL A 49 -8.178 4.396 0.497 1.00 61.03 H new ATOM 0 HG13 VAL A 49 -7.150 5.723 1.089 1.00 61.03 H new ATOM 0 HG21 VAL A 49 -5.250 5.700 -1.337 1.00 10.23 H new ATOM 0 HG22 VAL A 49 -4.693 5.801 0.350 1.00 10.23 H new ATOM 0 HG23 VAL A 49 -4.083 4.511 -0.713 1.00 10.23 H new ATOM 819 N CYS A 50 -4.852 1.250 0.544 1.00 21.14 N ATOM 820 CA CYS A 50 -3.828 0.323 0.137 1.00 25.14 C ATOM 821 C CYS A 50 -3.246 0.728 -1.207 1.00 11.11 C ATOM 822 O CYS A 50 -3.981 1.065 -2.127 1.00 63.22 O ATOM 823 CB CYS A 50 -4.374 -1.102 0.112 1.00 3.24 C ATOM 824 SG CYS A 50 -4.855 -1.747 1.762 1.00 64.05 S ATOM 0 H CYS A 50 -5.799 0.873 0.518 1.00 21.14 H new ATOM 0 HA CYS A 50 -3.019 0.351 0.867 1.00 25.14 H new ATOM 0 HB2 CYS A 50 -5.242 -1.136 -0.547 1.00 3.24 H new ATOM 0 HB3 CYS A 50 -3.620 -1.761 -0.319 1.00 3.24 H new ATOM 829 N ILE A 51 -1.935 0.715 -1.309 1.00 2.12 N ATOM 830 CA ILE A 51 -1.265 1.144 -2.518 1.00 60.13 C ATOM 831 C ILE A 51 -1.018 -0.063 -3.380 1.00 44.33 C ATOM 832 O ILE A 51 -0.718 -1.144 -2.863 1.00 32.11 O ATOM 833 CB ILE A 51 0.111 1.793 -2.241 1.00 1.14 C ATOM 834 CG1 ILE A 51 0.047 2.760 -1.070 1.00 75.04 C ATOM 835 CG2 ILE A 51 0.571 2.529 -3.482 1.00 11.14 C ATOM 836 CD1 ILE A 51 1.388 3.409 -0.744 1.00 65.13 C ATOM 0 H ILE A 51 -1.308 0.410 -0.564 1.00 2.12 H new ATOM 0 HA ILE A 51 -1.907 1.882 -2.998 1.00 60.13 H new ATOM 0 HB ILE A 51 0.817 1.003 -1.984 1.00 1.14 H new ATOM 0 HG12 ILE A 51 -0.681 3.540 -1.293 1.00 75.04 H new ATOM 0 HG13 ILE A 51 -0.314 2.229 -0.189 1.00 75.04 H new ATOM 0 HG21 ILE A 51 1.541 2.989 -3.294 1.00 11.14 H new ATOM 0 HG22 ILE A 51 0.658 1.826 -4.311 1.00 11.14 H new ATOM 0 HG23 ILE A 51 -0.154 3.302 -3.736 1.00 11.14 H new ATOM 0 HD11 ILE A 51 1.268 4.087 0.101 1.00 65.13 H new ATOM 0 HD12 ILE A 51 2.114 2.637 -0.490 1.00 65.13 H new ATOM 0 HD13 ILE A 51 1.742 3.968 -1.610 1.00 65.13 H new ATOM 848 N ASP A 52 -1.138 0.108 -4.667 1.00 11.31 N ATOM 849 CA ASP A 52 -0.910 -0.977 -5.590 1.00 44.42 C ATOM 850 C ASP A 52 0.603 -1.108 -5.803 1.00 2.44 C ATOM 851 O ASP A 52 1.279 -0.106 -6.089 1.00 23.22 O ATOM 852 CB ASP A 52 -1.590 -0.683 -6.925 1.00 45.01 C ATOM 853 CG ASP A 52 -1.633 -1.889 -7.833 1.00 13.11 C ATOM 854 OD1 ASP A 52 -0.575 -2.402 -8.206 1.00 71.51 O ATOM 855 OD2 ASP A 52 -2.747 -2.345 -8.172 1.00 53.14 O ATOM 0 H ASP A 52 -1.394 0.992 -5.106 1.00 11.31 H new ATOM 0 HA ASP A 52 -1.323 -1.902 -5.188 1.00 44.42 H new ATOM 0 HB2 ASP A 52 -2.606 -0.334 -6.742 1.00 45.01 H new ATOM 0 HB3 ASP A 52 -1.061 0.127 -7.427 1.00 45.01 H new ATOM 860 N PRO A 53 1.165 -2.322 -5.676 1.00 42.23 N ATOM 861 CA PRO A 53 2.611 -2.539 -5.803 1.00 72.34 C ATOM 862 C PRO A 53 3.165 -2.389 -7.232 1.00 20.21 C ATOM 863 O PRO A 53 4.355 -2.659 -7.467 1.00 75.30 O ATOM 864 CB PRO A 53 2.805 -3.966 -5.293 1.00 61.05 C ATOM 865 CG PRO A 53 1.509 -4.637 -5.594 1.00 34.13 C ATOM 866 CD PRO A 53 0.449 -3.584 -5.381 1.00 43.12 C ATOM 0 HA PRO A 53 3.160 -1.781 -5.244 1.00 72.34 H new ATOM 0 HB2 PRO A 53 3.636 -4.460 -5.796 1.00 61.05 H new ATOM 0 HB3 PRO A 53 3.024 -3.982 -4.225 1.00 61.05 H new ATOM 0 HG2 PRO A 53 1.490 -5.011 -6.617 1.00 34.13 H new ATOM 0 HG3 PRO A 53 1.349 -5.493 -4.938 1.00 34.13 H new ATOM 0 HD2 PRO A 53 -0.403 -3.729 -6.046 1.00 43.12 H new ATOM 0 HD3 PRO A 53 0.064 -3.600 -4.361 1.00 43.12 H new ATOM 874 N LYS A 54 2.326 -1.982 -8.189 1.00 55.32 N ATOM 875 CA LYS A 54 2.822 -1.738 -9.532 1.00 35.32 C ATOM 876 C LYS A 54 3.546 -0.395 -9.625 1.00 22.04 C ATOM 877 O LYS A 54 4.254 -0.128 -10.608 1.00 71.31 O ATOM 878 CB LYS A 54 1.721 -1.906 -10.636 1.00 34.40 C ATOM 879 CG LYS A 54 0.476 -0.996 -10.542 1.00 60.54 C ATOM 880 CD LYS A 54 0.743 0.467 -10.869 1.00 63.13 C ATOM 881 CE LYS A 54 1.129 0.660 -12.327 1.00 41.04 C ATOM 882 NZ LYS A 54 0.071 0.177 -13.250 1.00 74.10 N ATOM 0 H LYS A 54 1.327 -1.820 -8.058 1.00 55.32 H new ATOM 0 HA LYS A 54 3.557 -2.516 -9.738 1.00 35.32 H new ATOM 0 HB2 LYS A 54 2.188 -1.738 -11.606 1.00 34.40 H new ATOM 0 HB3 LYS A 54 1.383 -2.942 -10.620 1.00 34.40 H new ATOM 0 HG2 LYS A 54 -0.288 -1.374 -11.221 1.00 60.54 H new ATOM 0 HG3 LYS A 54 0.067 -1.062 -9.534 1.00 60.54 H new ATOM 0 HD2 LYS A 54 -0.147 1.057 -10.648 1.00 63.13 H new ATOM 0 HD3 LYS A 54 1.542 0.842 -10.229 1.00 63.13 H new ATOM 0 HE2 LYS A 54 1.320 1.717 -12.515 1.00 41.04 H new ATOM 0 HE3 LYS A 54 2.058 0.127 -12.530 1.00 41.04 H new ATOM 0 HZ1 LYS A 54 0.229 0.575 -14.198 1.00 74.10 H new ATOM 0 HZ2 LYS A 54 0.102 -0.861 -13.301 1.00 74.10 H new ATOM 0 HZ3 LYS A 54 -0.860 0.478 -12.899 1.00 74.10 H new ATOM 896 N LEU A 55 3.363 0.448 -8.611 1.00 52.41 N ATOM 897 CA LEU A 55 4.010 1.748 -8.576 1.00 62.20 C ATOM 898 C LEU A 55 5.514 1.617 -8.432 1.00 63.03 C ATOM 899 O LEU A 55 6.022 1.013 -7.478 1.00 20.02 O ATOM 900 CB LEU A 55 3.437 2.650 -7.489 1.00 61.32 C ATOM 901 CG LEU A 55 1.968 3.037 -7.639 1.00 44.24 C ATOM 902 CD1 LEU A 55 1.533 3.927 -6.496 1.00 31.15 C ATOM 903 CD2 LEU A 55 1.744 3.743 -8.956 1.00 54.23 C ATOM 0 H LEU A 55 2.771 0.250 -7.805 1.00 52.41 H new ATOM 0 HA LEU A 55 3.802 2.224 -9.534 1.00 62.20 H new ATOM 0 HB2 LEU A 55 3.563 2.151 -6.528 1.00 61.32 H new ATOM 0 HB3 LEU A 55 4.030 3.564 -7.454 1.00 61.32 H new ATOM 0 HG LEU A 55 1.370 2.126 -7.619 1.00 44.24 H new ATOM 0 HD11 LEU A 55 0.483 4.192 -6.621 1.00 31.15 H new ATOM 0 HD12 LEU A 55 1.664 3.397 -5.552 1.00 31.15 H new ATOM 0 HD13 LEU A 55 2.138 4.834 -6.490 1.00 31.15 H new ATOM 0 HD21 LEU A 55 0.692 4.013 -9.050 1.00 54.23 H new ATOM 0 HD22 LEU A 55 2.355 4.645 -8.994 1.00 54.23 H new ATOM 0 HD23 LEU A 55 2.023 3.081 -9.776 1.00 54.23 H new ATOM 915 N LYS A 56 6.212 2.202 -9.370 1.00 24.32 N ATOM 916 CA LYS A 56 7.648 2.134 -9.436 1.00 11.21 C ATOM 917 C LYS A 56 8.258 2.925 -8.281 1.00 30.44 C ATOM 918 O LYS A 56 9.254 2.496 -7.699 1.00 40.43 O ATOM 919 CB LYS A 56 8.122 2.636 -10.839 1.00 75.20 C ATOM 920 CG LYS A 56 9.622 2.451 -11.211 1.00 63.24 C ATOM 921 CD LYS A 56 10.571 3.344 -10.423 1.00 15.12 C ATOM 922 CE LYS A 56 12.007 3.198 -10.912 1.00 31.22 C ATOM 923 NZ LYS A 56 12.944 4.069 -10.166 1.00 4.04 N ATOM 0 H LYS A 56 5.791 2.748 -10.122 1.00 24.32 H new ATOM 0 HA LYS A 56 7.991 1.105 -9.326 1.00 11.21 H new ATOM 0 HB2 LYS A 56 7.525 2.127 -11.595 1.00 75.20 H new ATOM 0 HB3 LYS A 56 7.888 3.698 -10.910 1.00 75.20 H new ATOM 0 HG2 LYS A 56 9.900 1.410 -11.048 1.00 63.24 H new ATOM 0 HG3 LYS A 56 9.749 2.652 -12.275 1.00 63.24 H new ATOM 0 HD2 LYS A 56 10.257 4.384 -10.517 1.00 15.12 H new ATOM 0 HD3 LYS A 56 10.518 3.089 -9.364 1.00 15.12 H new ATOM 0 HE2 LYS A 56 12.320 2.159 -10.809 1.00 31.22 H new ATOM 0 HE3 LYS A 56 12.054 3.442 -11.973 1.00 31.22 H new ATOM 0 HZ1 LYS A 56 13.707 4.381 -10.800 1.00 4.04 H new ATOM 0 HZ2 LYS A 56 12.433 4.899 -9.804 1.00 4.04 H new ATOM 0 HZ3 LYS A 56 13.351 3.539 -9.369 1.00 4.04 H new ATOM 937 N TRP A 57 7.630 4.058 -7.902 1.00 14.31 N ATOM 938 CA TRP A 57 8.183 4.864 -6.813 1.00 60.24 C ATOM 939 C TRP A 57 8.132 4.082 -5.502 1.00 31.21 C ATOM 940 O TRP A 57 8.992 4.221 -4.658 1.00 3.03 O ATOM 941 CB TRP A 57 7.502 6.271 -6.659 1.00 74.25 C ATOM 942 CG TRP A 57 6.075 6.294 -6.129 1.00 52.33 C ATOM 943 CD1 TRP A 57 4.920 6.442 -6.845 1.00 73.54 C ATOM 944 CD2 TRP A 57 5.673 6.185 -4.747 1.00 53.00 C ATOM 945 NE1 TRP A 57 3.833 6.433 -5.990 1.00 74.15 N ATOM 946 CE2 TRP A 57 4.273 6.269 -4.703 1.00 3.41 C ATOM 947 CE3 TRP A 57 6.372 6.019 -3.549 1.00 33.33 C ATOM 948 CZ2 TRP A 57 3.558 6.192 -3.497 1.00 70.30 C ATOM 949 CZ3 TRP A 57 5.668 5.939 -2.375 1.00 63.41 C ATOM 950 CH2 TRP A 57 4.275 6.026 -2.358 1.00 25.10 C ATOM 0 H TRP A 57 6.772 4.419 -8.320 1.00 14.31 H new ATOM 0 HA TRP A 57 9.221 5.069 -7.074 1.00 60.24 H new ATOM 0 HB2 TRP A 57 8.120 6.875 -5.995 1.00 74.25 H new ATOM 0 HB3 TRP A 57 7.509 6.759 -7.633 1.00 74.25 H new ATOM 0 HD1 TRP A 57 4.865 6.550 -7.918 1.00 73.54 H new ATOM 0 HE1 TRP A 57 2.858 6.533 -6.273 1.00 74.15 H new ATOM 0 HE3 TRP A 57 7.450 5.955 -3.547 1.00 33.33 H new ATOM 0 HZ2 TRP A 57 2.480 6.262 -3.477 1.00 70.30 H new ATOM 0 HZ3 TRP A 57 6.202 5.806 -1.446 1.00 63.41 H new ATOM 0 HH2 TRP A 57 3.755 5.959 -1.414 1.00 25.10 H new ATOM 961 N ILE A 58 7.120 3.236 -5.367 1.00 2.42 N ATOM 962 CA ILE A 58 6.935 2.408 -4.181 1.00 73.12 C ATOM 963 C ILE A 58 8.108 1.474 -3.975 1.00 43.21 C ATOM 964 O ILE A 58 8.726 1.469 -2.919 1.00 35.44 O ATOM 965 CB ILE A 58 5.625 1.574 -4.326 1.00 11.54 C ATOM 966 CG1 ILE A 58 4.399 2.417 -4.004 1.00 34.14 C ATOM 967 CG2 ILE A 58 5.653 0.305 -3.495 1.00 4.53 C ATOM 968 CD1 ILE A 58 4.312 2.782 -2.559 1.00 43.42 C ATOM 0 H ILE A 58 6.401 3.103 -6.079 1.00 2.42 H new ATOM 0 HA ILE A 58 6.865 3.065 -3.314 1.00 73.12 H new ATOM 0 HB ILE A 58 5.560 1.265 -5.369 1.00 11.54 H new ATOM 0 HG12 ILE A 58 4.422 3.327 -4.603 1.00 34.14 H new ATOM 0 HG13 ILE A 58 3.501 1.869 -4.290 1.00 34.14 H new ATOM 0 HG21 ILE A 58 4.719 -0.240 -3.631 1.00 4.53 H new ATOM 0 HG22 ILE A 58 6.487 -0.320 -3.814 1.00 4.53 H new ATOM 0 HG23 ILE A 58 5.774 0.562 -2.443 1.00 4.53 H new ATOM 0 HD11 ILE A 58 3.419 3.383 -2.389 1.00 43.42 H new ATOM 0 HD12 ILE A 58 4.260 1.875 -1.957 1.00 43.42 H new ATOM 0 HD13 ILE A 58 5.194 3.356 -2.275 1.00 43.42 H new ATOM 980 N GLN A 59 8.445 0.738 -4.992 1.00 71.21 N ATOM 981 CA GLN A 59 9.518 -0.212 -4.898 1.00 34.43 C ATOM 982 C GLN A 59 10.867 0.476 -4.853 1.00 62.24 C ATOM 983 O GLN A 59 11.827 -0.028 -4.290 1.00 53.33 O ATOM 984 CB GLN A 59 9.421 -1.282 -5.965 1.00 33.40 C ATOM 985 CG GLN A 59 9.389 -0.777 -7.384 1.00 1.22 C ATOM 986 CD GLN A 59 9.212 -1.901 -8.367 1.00 70.43 C ATOM 987 OE1 GLN A 59 9.685 -1.831 -9.489 1.00 73.14 O ATOM 988 NE2 GLN A 59 8.533 -2.945 -7.952 1.00 35.44 N ATOM 0 H GLN A 59 7.990 0.777 -5.904 1.00 71.21 H new ATOM 0 HA GLN A 59 9.416 -0.737 -3.948 1.00 34.43 H new ATOM 0 HB2 GLN A 59 10.269 -1.958 -5.857 1.00 33.40 H new ATOM 0 HB3 GLN A 59 8.521 -1.870 -5.786 1.00 33.40 H new ATOM 0 HG2 GLN A 59 8.575 -0.061 -7.498 1.00 1.22 H new ATOM 0 HG3 GLN A 59 10.314 -0.244 -7.602 1.00 1.22 H new ATOM 0 HE21 GLN A 59 8.154 -2.963 -7.005 1.00 35.44 H new ATOM 0 HE22 GLN A 59 8.384 -3.738 -8.576 1.00 35.44 H new ATOM 997 N GLU A 60 10.932 1.619 -5.456 1.00 15.01 N ATOM 998 CA GLU A 60 12.142 2.409 -5.468 1.00 61.33 C ATOM 999 C GLU A 60 12.388 3.038 -4.102 1.00 55.45 C ATOM 1000 O GLU A 60 13.522 3.254 -3.689 1.00 14.23 O ATOM 1001 CB GLU A 60 12.045 3.470 -6.570 1.00 0.33 C ATOM 1002 CG GLU A 60 13.218 4.426 -6.708 1.00 74.44 C ATOM 1003 CD GLU A 60 14.490 3.739 -7.077 1.00 10.24 C ATOM 1004 OE1 GLU A 60 14.537 3.114 -8.156 1.00 63.34 O ATOM 1005 OE2 GLU A 60 15.471 3.847 -6.326 1.00 74.34 O ATOM 0 H GLU A 60 10.151 2.041 -5.958 1.00 15.01 H new ATOM 0 HA GLU A 60 12.995 1.765 -5.682 1.00 61.33 H new ATOM 0 HB2 GLU A 60 11.910 2.958 -7.523 1.00 0.33 H new ATOM 0 HB3 GLU A 60 11.145 4.060 -6.395 1.00 0.33 H new ATOM 0 HG2 GLU A 60 12.983 5.174 -7.465 1.00 74.44 H new ATOM 0 HG3 GLU A 60 13.359 4.958 -5.767 1.00 74.44 H new ATOM 1012 N TYR A 61 11.354 3.258 -3.393 1.00 34.23 N ATOM 1013 CA TYR A 61 11.461 3.942 -2.168 1.00 52.32 C ATOM 1014 C TYR A 61 11.400 2.995 -1.019 1.00 12.40 C ATOM 1015 O TYR A 61 12.332 2.885 -0.245 1.00 3.41 O ATOM 1016 CB TYR A 61 10.389 5.021 -2.073 1.00 62.44 C ATOM 1017 CG TYR A 61 10.347 5.722 -0.761 1.00 50.31 C ATOM 1018 CD1 TYR A 61 11.478 6.333 -0.252 1.00 13.14 C ATOM 1019 CD2 TYR A 61 9.173 5.784 -0.037 1.00 10.05 C ATOM 1020 CE1 TYR A 61 11.447 6.989 0.955 1.00 11.11 C ATOM 1021 CE2 TYR A 61 9.124 6.440 1.175 1.00 52.02 C ATOM 1022 CZ TYR A 61 10.270 7.040 1.668 1.00 21.43 C ATOM 1023 OH TYR A 61 10.239 7.701 2.873 1.00 42.51 O ATOM 0 H TYR A 61 10.408 2.970 -3.644 1.00 34.23 H new ATOM 0 HA TYR A 61 12.434 4.432 -2.124 1.00 52.32 H new ATOM 0 HB2 TYR A 61 10.558 5.756 -2.860 1.00 62.44 H new ATOM 0 HB3 TYR A 61 9.416 4.569 -2.262 1.00 62.44 H new ATOM 0 HD1 TYR A 61 12.401 6.294 -0.812 1.00 13.14 H new ATOM 0 HD2 TYR A 61 8.282 5.313 -0.425 1.00 10.05 H new ATOM 0 HE1 TYR A 61 12.338 7.461 1.341 1.00 11.11 H new ATOM 0 HE2 TYR A 61 8.201 6.485 1.734 1.00 52.02 H new ATOM 0 HH TYR A 61 9.337 7.648 3.252 1.00 42.51 H new ATOM 1033 N LEU A 62 10.348 2.274 -0.929 1.00 2.24 N ATOM 1034 CA LEU A 62 10.157 1.418 0.185 1.00 74.13 C ATOM 1035 C LEU A 62 11.060 0.224 0.058 1.00 33.11 C ATOM 1036 O LEU A 62 11.621 -0.243 1.031 1.00 33.11 O ATOM 1037 CB LEU A 62 8.698 0.985 0.257 1.00 31.12 C ATOM 1038 CG LEU A 62 8.123 0.723 1.660 1.00 63.05 C ATOM 1039 CD1 LEU A 62 8.742 -0.497 2.322 1.00 1.14 C ATOM 1040 CD2 LEU A 62 8.332 1.937 2.531 1.00 32.34 C ATOM 0 H LEU A 62 9.597 2.257 -1.619 1.00 2.24 H new ATOM 0 HA LEU A 62 10.405 1.949 1.104 1.00 74.13 H new ATOM 0 HB2 LEU A 62 8.091 1.754 -0.221 1.00 31.12 H new ATOM 0 HB3 LEU A 62 8.584 0.076 -0.333 1.00 31.12 H new ATOM 0 HG LEU A 62 7.058 0.524 1.543 1.00 63.05 H new ATOM 0 HD11 LEU A 62 8.302 -0.638 3.309 1.00 1.14 H new ATOM 0 HD12 LEU A 62 8.551 -1.379 1.711 1.00 1.14 H new ATOM 0 HD13 LEU A 62 9.818 -0.350 2.422 1.00 1.14 H new ATOM 0 HD21 LEU A 62 7.923 1.747 3.524 1.00 32.34 H new ATOM 0 HD22 LEU A 62 9.398 2.148 2.612 1.00 32.34 H new ATOM 0 HD23 LEU A 62 7.825 2.794 2.088 1.00 32.34 H new ATOM 1052 N GLU A 63 11.300 -0.186 -1.148 1.00 61.35 N ATOM 1053 CA GLU A 63 11.991 -1.437 -1.327 1.00 34.03 C ATOM 1054 C GLU A 63 13.453 -1.236 -1.543 1.00 74.14 C ATOM 1055 O GLU A 63 14.257 -2.101 -1.217 1.00 13.51 O ATOM 1056 CB GLU A 63 11.355 -2.298 -2.418 1.00 14.33 C ATOM 1057 CG GLU A 63 9.956 -2.796 -2.080 1.00 34.53 C ATOM 1058 CD GLU A 63 9.947 -3.760 -0.907 1.00 73.34 C ATOM 1059 OE1 GLU A 63 10.088 -4.979 -1.144 1.00 71.11 O ATOM 1060 OE2 GLU A 63 9.815 -3.327 0.247 1.00 72.13 O ATOM 0 H GLU A 63 11.040 0.305 -2.003 1.00 61.35 H new ATOM 0 HA GLU A 63 11.884 -1.995 -0.396 1.00 34.03 H new ATOM 0 HB2 GLU A 63 11.310 -1.721 -3.342 1.00 14.33 H new ATOM 0 HB3 GLU A 63 11.998 -3.157 -2.610 1.00 14.33 H new ATOM 0 HG2 GLU A 63 9.317 -1.944 -1.850 1.00 34.53 H new ATOM 0 HG3 GLU A 63 9.529 -3.288 -2.954 1.00 34.53 H new ATOM 1067 N LYS A 64 13.829 -0.095 -2.059 1.00 22.34 N ATOM 1068 CA LYS A 64 15.218 0.123 -2.297 1.00 72.21 C ATOM 1069 C LYS A 64 15.806 1.062 -1.267 1.00 11.15 C ATOM 1070 O LYS A 64 16.976 0.977 -0.947 1.00 2.10 O ATOM 1071 CB LYS A 64 15.493 0.595 -3.733 1.00 62.22 C ATOM 1072 CG LYS A 64 16.973 0.780 -4.044 1.00 61.53 C ATOM 1073 CD LYS A 64 17.208 1.192 -5.483 1.00 24.42 C ATOM 1074 CE LYS A 64 18.693 1.358 -5.770 1.00 5.44 C ATOM 1075 NZ LYS A 64 19.452 0.113 -5.501 1.00 2.40 N ATOM 0 H LYS A 64 13.208 0.673 -2.314 1.00 22.34 H new ATOM 0 HA LYS A 64 15.722 -0.838 -2.189 1.00 72.21 H new ATOM 0 HB2 LYS A 64 15.072 -0.129 -4.431 1.00 62.22 H new ATOM 0 HB3 LYS A 64 14.975 1.539 -3.901 1.00 62.22 H new ATOM 0 HG2 LYS A 64 17.391 1.536 -3.379 1.00 61.53 H new ATOM 0 HG3 LYS A 64 17.504 -0.150 -3.843 1.00 61.53 H new ATOM 0 HD2 LYS A 64 16.787 0.442 -6.153 1.00 24.42 H new ATOM 0 HD3 LYS A 64 16.688 2.128 -5.686 1.00 24.42 H new ATOM 0 HE2 LYS A 64 18.831 1.649 -6.811 1.00 5.44 H new ATOM 0 HE3 LYS A 64 19.093 2.166 -5.157 1.00 5.44 H new ATOM 0 HZ1 LYS A 64 20.387 0.172 -5.954 1.00 2.40 H new ATOM 0 HZ2 LYS A 64 19.571 -0.006 -4.475 1.00 2.40 H new ATOM 0 HZ3 LYS A 64 18.931 -0.701 -5.886 1.00 2.40 H new ATOM 1089 N ALA A 65 14.998 1.930 -0.712 1.00 41.45 N ATOM 1090 CA ALA A 65 15.532 2.883 0.259 1.00 34.55 C ATOM 1091 C ALA A 65 15.285 2.435 1.697 1.00 1.04 C ATOM 1092 O ALA A 65 16.136 2.601 2.564 1.00 41.32 O ATOM 1093 CB ALA A 65 14.995 4.287 0.018 1.00 4.20 C ATOM 0 H ALA A 65 13.998 2.006 -0.900 1.00 41.45 H new ATOM 0 HA ALA A 65 16.612 2.912 0.112 1.00 34.55 H new ATOM 0 HB1 ALA A 65 15.413 4.969 0.759 1.00 4.20 H new ATOM 0 HB2 ALA A 65 15.278 4.618 -0.981 1.00 4.20 H new ATOM 0 HB3 ALA A 65 13.908 4.281 0.104 1.00 4.20 H new ATOM 1099 N LEU A 66 14.127 1.878 1.954 1.00 14.32 N ATOM 1100 CA LEU A 66 13.793 1.411 3.309 1.00 24.14 C ATOM 1101 C LEU A 66 14.229 -0.005 3.555 1.00 71.42 C ATOM 1102 O LEU A 66 14.781 -0.328 4.611 1.00 44.33 O ATOM 1103 CB LEU A 66 12.277 1.519 3.593 1.00 11.54 C ATOM 1104 CG LEU A 66 11.704 2.890 4.008 1.00 23.44 C ATOM 1105 CD1 LEU A 66 12.334 3.375 5.306 1.00 32.22 C ATOM 1106 CD2 LEU A 66 11.865 3.929 2.911 1.00 23.04 C ATOM 0 H LEU A 66 13.394 1.730 1.260 1.00 14.32 H new ATOM 0 HA LEU A 66 14.340 2.067 3.986 1.00 24.14 H new ATOM 0 HB2 LEU A 66 11.748 1.195 2.697 1.00 11.54 H new ATOM 0 HB3 LEU A 66 12.035 0.806 4.381 1.00 11.54 H new ATOM 0 HG LEU A 66 10.635 2.754 4.174 1.00 23.44 H new ATOM 0 HD11 LEU A 66 11.912 4.343 5.576 1.00 32.22 H new ATOM 0 HD12 LEU A 66 12.130 2.657 6.100 1.00 32.22 H new ATOM 0 HD13 LEU A 66 13.411 3.473 5.173 1.00 32.22 H new ATOM 0 HD21 LEU A 66 11.448 4.879 3.246 1.00 23.04 H new ATOM 0 HD22 LEU A 66 12.923 4.057 2.684 1.00 23.04 H new ATOM 0 HD23 LEU A 66 11.339 3.597 2.016 1.00 23.04 H new ATOM 1118 N ASN A 67 13.994 -0.830 2.599 1.00 4.32 N ATOM 1119 CA ASN A 67 14.155 -2.253 2.761 1.00 51.30 C ATOM 1120 C ASN A 67 15.558 -2.723 2.394 1.00 33.42 C ATOM 1121 O ASN A 67 16.065 -3.684 2.973 1.00 41.31 O ATOM 1122 CB ASN A 67 13.118 -2.921 1.864 1.00 31.14 C ATOM 1123 CG ASN A 67 12.866 -4.392 2.126 1.00 52.33 C ATOM 1124 OD1 ASN A 67 13.746 -5.158 2.521 1.00 22.34 O ATOM 1125 ND2 ASN A 67 11.651 -4.783 1.926 1.00 75.52 N ATOM 0 H ASN A 67 13.682 -0.547 1.670 1.00 4.32 H new ATOM 0 HA ASN A 67 14.012 -2.521 3.808 1.00 51.30 H new ATOM 0 HB2 ASN A 67 12.174 -2.386 1.971 1.00 31.14 H new ATOM 0 HB3 ASN A 67 13.434 -2.805 0.827 1.00 31.14 H new ATOM 0 HD21 ASN A 67 11.394 -5.755 2.096 1.00 75.52 H new ATOM 0 HD22 ASN A 67 10.949 -4.119 1.598 1.00 75.52 H new ATOM 1132 N LYS A 68 16.194 -2.047 1.467 1.00 31.54 N ATOM 1133 CA LYS A 68 17.450 -2.530 0.949 1.00 44.22 C ATOM 1134 C LYS A 68 18.628 -1.894 1.671 1.00 21.34 C ATOM 1135 O LYS A 68 19.113 -2.484 2.650 1.00 38.12 O ATOM 1136 CB LYS A 68 17.517 -2.297 -0.554 1.00 64.32 C ATOM 1137 CG LYS A 68 18.599 -3.084 -1.261 1.00 52.23 C ATOM 1138 CD LYS A 68 18.504 -2.891 -2.760 1.00 13.13 C ATOM 1139 CE LYS A 68 19.483 -3.770 -3.508 1.00 2.01 C ATOM 1140 NZ LYS A 68 20.885 -3.488 -3.159 1.00 53.42 N ATOM 1141 OXT LYS A 68 19.071 -0.797 1.278 1.00 38.12 O ATOM 0 H LYS A 68 15.867 -1.171 1.060 1.00 31.54 H new ATOM 0 HA LYS A 68 17.512 -3.603 1.131 1.00 44.22 H new ATOM 0 HB2 LYS A 68 16.553 -2.554 -0.992 1.00 64.32 H new ATOM 0 HB3 LYS A 68 17.678 -1.235 -0.738 1.00 64.32 H new ATOM 0 HG2 LYS A 68 19.579 -2.763 -0.909 1.00 52.23 H new ATOM 0 HG3 LYS A 68 18.504 -4.142 -1.018 1.00 52.23 H new ATOM 0 HD2 LYS A 68 17.490 -3.115 -3.091 1.00 13.13 H new ATOM 0 HD3 LYS A 68 18.695 -1.846 -3.004 1.00 13.13 H new ATOM 0 HE2 LYS A 68 19.263 -4.816 -3.293 1.00 2.01 H new ATOM 0 HE3 LYS A 68 19.345 -3.629 -4.580 1.00 2.01 H new ATOM 0 HZ1 LYS A 68 21.514 -4.058 -3.761 1.00 53.42 H new ATOM 0 HZ2 LYS A 68 21.084 -2.478 -3.309 1.00 53.42 H new ATOM 0 HZ3 LYS A 68 21.049 -3.729 -2.161 1.00 53.42 H new TER 1155 LYS A 68