USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 HIS : no HE2:sc= 0.369 K(o=0.92,f=-0.87) USER MOD Set 1.2: A 58 TYR OH : rot -145:sc= 0.548 USER MOD Set 2.1: A 19 MET CE :methyl 168:sc= -0.81 (180deg=-1.04) USER MOD Set 2.2: A 51 SER OG : rot 180:sc= -0.196 USER MOD Set 3.1: A 25 ASN : amide:sc= 1.03 K(o=1.8,f=-2.6!) USER MOD Set 3.2: A 29 GLN : amide:sc= 0.782 K(o=1.8,f=-4.7) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.00825 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 162:sc= -0.163 (180deg=-0.6) USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0219) USER MOD Single : A 8 MET CE :methyl -147:sc= 0 (180deg=-0.74) USER MOD Single : A 9 SER OG : rot 120:sc= -1.15 USER MOD Single : A 11 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0933 USER MOD Single : A 35 THR OG1 : rot -91:sc= 0.00868 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 67:sc= 0.643 USER MOD Single : A 61 GLN : amide:sc= -0.0515 K(o=-0.052,f=-1.3) USER MOD Single : A 62 HIS : no HE2:sc= 1.04 K(o=1,f=-4.1!) USER MOD Single : A 64 THR OG1 : rot -86:sc= 0.905 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= 1.39 (180deg=1.04) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.090 -11.814 -4.310 1.00 22.30 N ATOM 2 CA GLY A 1 -10.795 -11.786 -2.857 1.00 34.43 C ATOM 3 C GLY A 1 -9.504 -11.041 -2.564 1.00 54.31 C ATOM 4 O GLY A 1 -8.533 -11.190 -3.304 1.00 35.32 O ATOM 0 H1 GLY A 1 -11.495 -12.738 -4.564 1.00 22.30 H new ATOM 0 H2 GLY A 1 -11.771 -11.062 -4.541 1.00 22.30 H new ATOM 0 H3 GLY A 1 -10.212 -11.662 -4.846 1.00 22.30 H new ATOM 0 HA2 GLY A 1 -11.619 -11.309 -2.327 1.00 34.43 H new ATOM 0 HA3 GLY A 1 -10.721 -12.806 -2.480 1.00 34.43 H new ATOM 10 N PRO A 2 -9.464 -10.220 -1.494 1.00 3.42 N ATOM 11 CA PRO A 2 -8.275 -9.431 -1.138 1.00 42.11 C ATOM 12 C PRO A 2 -7.033 -10.306 -0.949 1.00 52.42 C ATOM 13 O PRO A 2 -7.071 -11.312 -0.229 1.00 55.43 O ATOM 14 CB PRO A 2 -8.671 -8.755 0.186 1.00 10.24 C ATOM 15 CG PRO A 2 -10.161 -8.741 0.174 1.00 41.31 C ATOM 16 CD PRO A 2 -10.576 -9.993 -0.551 1.00 31.52 C ATOM 0 HA PRO A 2 -8.006 -8.724 -1.923 1.00 42.11 H new ATOM 0 HB2 PRO A 2 -8.287 -9.308 1.043 1.00 10.24 H new ATOM 0 HB3 PRO A 2 -8.266 -7.745 0.251 1.00 10.24 H new ATOM 0 HG2 PRO A 2 -10.560 -8.726 1.188 1.00 41.31 H new ATOM 0 HG3 PRO A 2 -10.540 -7.853 -0.331 1.00 41.31 H new ATOM 0 HD2 PRO A 2 -10.701 -10.832 0.133 1.00 31.52 H new ATOM 0 HD3 PRO A 2 -11.525 -9.862 -1.071 1.00 31.52 H new ATOM 24 N GLY A 3 -5.941 -9.918 -1.601 1.00 45.01 N ATOM 25 CA GLY A 3 -4.690 -10.648 -1.492 1.00 21.14 C ATOM 26 C GLY A 3 -4.678 -11.925 -2.316 1.00 63.20 C ATOM 27 O GLY A 3 -4.099 -11.965 -3.404 1.00 32.45 O ATOM 0 H GLY A 3 -5.901 -9.101 -2.210 1.00 45.01 H new ATOM 0 HA2 GLY A 3 -3.871 -10.005 -1.815 1.00 21.14 H new ATOM 0 HA3 GLY A 3 -4.509 -10.895 -0.446 1.00 21.14 H new ATOM 31 N SER A 4 -5.324 -12.964 -1.798 1.00 33.30 N ATOM 32 CA SER A 4 -5.331 -14.276 -2.441 1.00 22.20 C ATOM 33 C SER A 4 -6.104 -14.245 -3.764 1.00 43.34 C ATOM 34 O SER A 4 -7.337 -14.329 -3.779 1.00 12.55 O ATOM 35 CB SER A 4 -5.937 -15.311 -1.488 1.00 64.22 C ATOM 36 OG SER A 4 -5.291 -15.269 -0.224 1.00 5.04 O ATOM 0 H SER A 4 -5.854 -12.923 -0.928 1.00 33.30 H new ATOM 0 HA SER A 4 -4.302 -14.555 -2.670 1.00 22.20 H new ATOM 0 HB2 SER A 4 -7.003 -15.118 -1.364 1.00 64.22 H new ATOM 0 HB3 SER A 4 -5.841 -16.308 -1.918 1.00 64.22 H new ATOM 0 HG SER A 4 -5.693 -15.936 0.371 1.00 5.04 H new ATOM 42 N MET A 5 -5.372 -14.106 -4.868 1.00 14.31 N ATOM 43 CA MET A 5 -5.964 -14.085 -6.202 1.00 21.41 C ATOM 44 C MET A 5 -4.941 -14.541 -7.240 1.00 3.22 C ATOM 45 O MET A 5 -3.741 -14.314 -7.075 1.00 24.55 O ATOM 46 CB MET A 5 -6.469 -12.675 -6.545 1.00 54.22 C ATOM 47 CG MET A 5 -5.380 -11.606 -6.536 1.00 4.32 C ATOM 48 SD MET A 5 -5.999 -9.973 -6.989 1.00 52.35 S ATOM 49 CE MET A 5 -7.215 -9.690 -5.704 1.00 62.22 C ATOM 0 H MET A 5 -4.357 -14.005 -4.862 1.00 14.31 H new ATOM 0 HA MET A 5 -6.811 -14.771 -6.214 1.00 21.41 H new ATOM 0 HB2 MET A 5 -6.934 -12.697 -7.530 1.00 54.22 H new ATOM 0 HB3 MET A 5 -7.245 -12.395 -5.832 1.00 54.22 H new ATOM 0 HG2 MET A 5 -4.933 -11.557 -5.543 1.00 4.32 H new ATOM 0 HG3 MET A 5 -4.589 -11.894 -7.228 1.00 4.32 H new ATOM 0 HE1 MET A 5 -7.448 -8.627 -5.652 1.00 62.22 H new ATOM 0 HE2 MET A 5 -8.122 -10.250 -5.932 1.00 62.22 H new ATOM 0 HE3 MET A 5 -6.815 -10.021 -4.746 1.00 62.22 H new ATOM 59 N LYS A 6 -5.426 -15.201 -8.292 1.00 60.02 N ATOM 60 CA LYS A 6 -4.580 -15.661 -9.400 1.00 0.51 C ATOM 61 C LYS A 6 -3.515 -16.643 -8.910 1.00 20.35 C ATOM 62 O LYS A 6 -2.405 -16.706 -9.446 1.00 72.41 O ATOM 63 CB LYS A 6 -3.941 -14.470 -10.145 1.00 22.24 C ATOM 64 CG LYS A 6 -4.852 -13.835 -11.198 1.00 51.21 C ATOM 65 CD LYS A 6 -6.150 -13.295 -10.600 1.00 43.02 C ATOM 66 CE LYS A 6 -7.164 -12.925 -11.677 1.00 42.41 C ATOM 67 NZ LYS A 6 -6.654 -11.878 -12.600 1.00 41.11 N ATOM 0 H LYS A 6 -6.413 -15.433 -8.403 1.00 60.02 H new ATOM 0 HA LYS A 6 -5.218 -16.190 -10.108 1.00 0.51 H new ATOM 0 HB2 LYS A 6 -3.658 -13.709 -9.418 1.00 22.24 H new ATOM 0 HB3 LYS A 6 -3.024 -14.806 -10.628 1.00 22.24 H new ATOM 0 HG2 LYS A 6 -4.319 -13.024 -11.693 1.00 51.21 H new ATOM 0 HG3 LYS A 6 -5.088 -14.575 -11.963 1.00 51.21 H new ATOM 0 HD2 LYS A 6 -6.583 -14.044 -9.937 1.00 43.02 H new ATOM 0 HD3 LYS A 6 -5.931 -12.418 -9.991 1.00 43.02 H new ATOM 0 HE2 LYS A 6 -7.423 -13.816 -12.250 1.00 42.41 H new ATOM 0 HE3 LYS A 6 -8.081 -12.573 -11.204 1.00 42.41 H new ATOM 0 HZ1 LYS A 6 -7.397 -11.625 -13.282 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 -6.384 -11.035 -12.054 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 -5.824 -12.240 -13.111 1.00 41.11 H new ATOM 81 N ILE A 7 -3.884 -17.428 -7.905 1.00 20.42 N ATOM 82 CA ILE A 7 -3.024 -18.475 -7.374 1.00 44.41 C ATOM 83 C ILE A 7 -3.562 -19.840 -7.808 1.00 2.01 C ATOM 84 O ILE A 7 -4.758 -20.112 -7.674 1.00 74.52 O ATOM 85 CB ILE A 7 -2.924 -18.399 -5.822 1.00 64.54 C ATOM 86 CG1 ILE A 7 -2.048 -19.539 -5.266 1.00 73.53 C ATOM 87 CG2 ILE A 7 -4.311 -18.418 -5.182 1.00 60.11 C ATOM 88 CD1 ILE A 7 -0.609 -19.492 -5.740 1.00 33.43 C ATOM 0 H ILE A 7 -4.787 -17.356 -7.437 1.00 20.42 H new ATOM 0 HA ILE A 7 -2.019 -18.333 -7.772 1.00 44.41 H new ATOM 0 HB ILE A 7 -2.447 -17.453 -5.566 1.00 64.54 H new ATOM 0 HG12 ILE A 7 -2.063 -19.498 -4.177 1.00 73.53 H new ATOM 0 HG13 ILE A 7 -2.485 -20.495 -5.555 1.00 73.53 H new ATOM 0 HG21 ILE A 7 -4.212 -18.364 -4.098 1.00 60.11 H new ATOM 0 HG22 ILE A 7 -4.887 -17.564 -5.537 1.00 60.11 H new ATOM 0 HG23 ILE A 7 -4.825 -19.340 -5.454 1.00 60.11 H new ATOM 0 HD11 ILE A 7 -0.056 -20.325 -5.307 1.00 33.43 H new ATOM 0 HD12 ILE A 7 -0.582 -19.564 -6.827 1.00 33.43 H new ATOM 0 HD13 ILE A 7 -0.153 -18.552 -5.427 1.00 33.43 H new ATOM 100 N MET A 8 -2.680 -20.668 -8.372 1.00 64.41 N ATOM 101 CA MET A 8 -3.042 -22.012 -8.846 1.00 24.40 C ATOM 102 C MET A 8 -3.999 -21.924 -10.047 1.00 34.32 C ATOM 103 O MET A 8 -4.538 -22.932 -10.511 1.00 33.34 O ATOM 104 CB MET A 8 -3.679 -22.841 -7.708 1.00 14.01 C ATOM 105 CG MET A 8 -3.835 -24.326 -8.029 1.00 51.13 C ATOM 106 SD MET A 8 -2.275 -25.231 -7.942 1.00 50.30 S ATOM 107 CE MET A 8 -2.740 -26.786 -8.706 1.00 14.20 C ATOM 0 H MET A 8 -1.698 -20.430 -8.514 1.00 64.41 H new ATOM 0 HA MET A 8 -2.130 -22.515 -9.168 1.00 24.40 H new ATOM 0 HB2 MET A 8 -3.068 -22.737 -6.811 1.00 14.01 H new ATOM 0 HB3 MET A 8 -4.660 -22.426 -7.476 1.00 14.01 H new ATOM 0 HG2 MET A 8 -4.546 -24.770 -7.333 1.00 51.13 H new ATOM 0 HG3 MET A 8 -4.257 -24.434 -9.028 1.00 51.13 H new ATOM 0 HE1 MET A 8 -2.178 -27.599 -8.247 1.00 14.20 H new ATOM 0 HE2 MET A 8 -3.807 -26.956 -8.564 1.00 14.20 H new ATOM 0 HE3 MET A 8 -2.517 -26.748 -9.772 1.00 14.20 H new ATOM 117 N SER A 9 -4.189 -20.712 -10.558 1.00 52.42 N ATOM 118 CA SER A 9 -5.113 -20.465 -11.658 1.00 41.40 C ATOM 119 C SER A 9 -4.354 -20.358 -12.981 1.00 52.44 C ATOM 120 O SER A 9 -3.212 -20.815 -13.091 1.00 2.24 O ATOM 121 CB SER A 9 -5.897 -19.178 -11.382 1.00 11.15 C ATOM 122 OG SER A 9 -5.026 -18.069 -11.253 1.00 3.21 O ATOM 0 H SER A 9 -3.709 -19.877 -10.223 1.00 52.42 H new ATOM 0 HA SER A 9 -5.810 -21.299 -11.736 1.00 41.40 H new ATOM 0 HB2 SER A 9 -6.603 -18.998 -12.193 1.00 11.15 H new ATOM 0 HB3 SER A 9 -6.482 -19.293 -10.469 1.00 11.15 H new ATOM 0 HG SER A 9 -5.242 -17.402 -11.938 1.00 3.21 H new ATOM 128 N ASP A 10 -5.003 -19.784 -13.989 1.00 5.42 N ATOM 129 CA ASP A 10 -4.376 -19.546 -15.282 1.00 71.14 C ATOM 130 C ASP A 10 -3.235 -18.543 -15.138 1.00 13.53 C ATOM 131 O ASP A 10 -3.452 -17.328 -15.148 1.00 34.12 O ATOM 132 CB ASP A 10 -5.412 -19.032 -16.294 1.00 24.34 C ATOM 133 CG ASP A 10 -6.488 -20.061 -16.613 1.00 63.12 C ATOM 134 OD1 ASP A 10 -7.334 -20.338 -15.732 1.00 35.34 O ATOM 135 OD2 ASP A 10 -6.505 -20.582 -17.749 1.00 0.04 O ATOM 0 H ASP A 10 -5.973 -19.473 -13.932 1.00 5.42 H new ATOM 0 HA ASP A 10 -3.970 -20.488 -15.650 1.00 71.14 H new ATOM 0 HB2 ASP A 10 -5.883 -18.132 -15.899 1.00 24.34 H new ATOM 0 HB3 ASP A 10 -4.903 -18.748 -17.215 1.00 24.34 H new ATOM 140 N ASN A 11 -2.030 -19.065 -14.949 1.00 24.23 N ATOM 141 CA ASN A 11 -0.831 -18.243 -14.846 1.00 34.43 C ATOM 142 C ASN A 11 -0.040 -18.335 -16.149 1.00 13.01 C ATOM 143 O ASN A 11 0.246 -19.431 -16.619 1.00 54.04 O ATOM 144 CB ASN A 11 0.035 -18.700 -13.657 1.00 22.21 C ATOM 145 CG ASN A 11 -0.653 -18.531 -12.306 1.00 23.50 C ATOM 146 OD1 ASN A 11 -0.455 -19.331 -11.392 1.00 72.51 O ATOM 147 ND2 ASN A 11 -1.437 -17.472 -12.154 1.00 70.34 N ATOM 0 H ASN A 11 -1.856 -20.066 -14.863 1.00 24.23 H new ATOM 0 HA ASN A 11 -1.121 -17.206 -14.675 1.00 34.43 H new ATOM 0 HB2 ASN A 11 0.301 -19.748 -13.792 1.00 22.21 H new ATOM 0 HB3 ASN A 11 0.966 -18.133 -13.656 1.00 22.21 H new ATOM 0 HD21 ASN A 11 -1.896 -17.302 -11.259 1.00 70.34 H new ATOM 0 HD22 ASN A 11 -1.580 -16.828 -12.932 1.00 70.34 H new ATOM 154 N PRO A 12 0.353 -17.191 -16.739 1.00 75.11 N ATOM 155 CA PRO A 12 0.976 -17.156 -18.078 1.00 13.21 C ATOM 156 C PRO A 12 2.384 -17.765 -18.127 1.00 32.31 C ATOM 157 O PRO A 12 3.116 -17.573 -19.099 1.00 35.35 O ATOM 158 CB PRO A 12 1.023 -15.655 -18.403 1.00 12.34 C ATOM 159 CG PRO A 12 1.055 -14.980 -17.072 1.00 23.15 C ATOM 160 CD PRO A 12 0.226 -15.839 -16.152 1.00 32.52 C ATOM 0 HA PRO A 12 0.410 -17.755 -18.791 1.00 13.21 H new ATOM 0 HB2 PRO A 12 1.904 -15.405 -18.995 1.00 12.34 H new ATOM 0 HB3 PRO A 12 0.152 -15.348 -18.982 1.00 12.34 H new ATOM 0 HG2 PRO A 12 2.077 -14.889 -16.705 1.00 23.15 H new ATOM 0 HG3 PRO A 12 0.648 -13.971 -17.136 1.00 23.15 H new ATOM 0 HD2 PRO A 12 0.600 -15.809 -15.128 1.00 32.52 H new ATOM 0 HD3 PRO A 12 -0.813 -15.510 -16.122 1.00 32.52 H new ATOM 168 N PHE A 13 2.763 -18.494 -17.081 1.00 55.21 N ATOM 169 CA PHE A 13 4.073 -19.139 -17.016 1.00 54.02 C ATOM 170 C PHE A 13 3.930 -20.662 -16.916 1.00 42.42 C ATOM 171 O PHE A 13 4.903 -21.361 -16.635 1.00 10.34 O ATOM 172 CB PHE A 13 4.868 -18.602 -15.819 1.00 54.21 C ATOM 173 CG PHE A 13 5.074 -17.107 -15.852 1.00 45.45 C ATOM 174 CD1 PHE A 13 6.060 -16.544 -16.655 1.00 71.32 C ATOM 175 CD2 PHE A 13 4.283 -16.262 -15.085 1.00 72.33 C ATOM 176 CE1 PHE A 13 6.249 -15.174 -16.687 1.00 63.22 C ATOM 177 CE2 PHE A 13 4.469 -14.894 -15.116 1.00 73.14 C ATOM 178 CZ PHE A 13 5.453 -14.348 -15.917 1.00 55.23 C ATOM 0 H PHE A 13 2.178 -18.654 -16.261 1.00 55.21 H new ATOM 0 HA PHE A 13 4.613 -18.907 -17.934 1.00 54.02 H new ATOM 0 HB2 PHE A 13 4.348 -18.868 -14.899 1.00 54.21 H new ATOM 0 HB3 PHE A 13 5.840 -19.094 -15.789 1.00 54.21 H new ATOM 0 HD1 PHE A 13 6.685 -17.184 -17.260 1.00 71.32 H new ATOM 0 HD2 PHE A 13 3.512 -16.680 -14.455 1.00 72.33 H new ATOM 0 HE1 PHE A 13 7.019 -14.750 -17.314 1.00 63.22 H new ATOM 0 HE2 PHE A 13 3.845 -14.251 -14.514 1.00 73.14 H new ATOM 0 HZ PHE A 13 5.600 -13.278 -15.941 1.00 55.23 H new ATOM 188 N ASP A 14 2.723 -21.170 -17.165 1.00 61.43 N ATOM 189 CA ASP A 14 2.438 -22.602 -17.001 1.00 1.10 C ATOM 190 C ASP A 14 2.582 -23.345 -18.334 1.00 23.42 C ATOM 191 O ASP A 14 2.059 -24.451 -18.502 1.00 64.53 O ATOM 192 CB ASP A 14 1.022 -22.811 -16.420 1.00 24.22 C ATOM 193 CG ASP A 14 -0.088 -22.761 -17.467 1.00 25.23 C ATOM 194 OD1 ASP A 14 -0.221 -21.733 -18.158 1.00 35.13 O ATOM 195 OD2 ASP A 14 -0.827 -23.761 -17.606 1.00 35.14 O ATOM 0 H ASP A 14 1.927 -20.616 -17.480 1.00 61.43 H new ATOM 0 HA ASP A 14 3.166 -23.012 -16.301 1.00 1.10 H new ATOM 0 HB2 ASP A 14 0.986 -23.775 -15.912 1.00 24.22 H new ATOM 0 HB3 ASP A 14 0.832 -22.047 -15.666 1.00 24.22 H new ATOM 200 N ASP A 15 3.320 -22.751 -19.270 1.00 24.15 N ATOM 201 CA ASP A 15 3.506 -23.339 -20.602 1.00 22.14 C ATOM 202 C ASP A 15 4.442 -24.559 -20.539 1.00 33.41 C ATOM 203 O ASP A 15 5.014 -24.864 -19.489 1.00 21.43 O ATOM 204 CB ASP A 15 4.059 -22.281 -21.580 1.00 33.54 C ATOM 205 CG ASP A 15 3.834 -22.652 -23.043 1.00 71.14 C ATOM 206 OD1 ASP A 15 4.660 -23.398 -23.613 1.00 14.35 O ATOM 207 OD2 ASP A 15 2.827 -22.203 -23.628 1.00 4.14 O ATOM 0 H ASP A 15 3.801 -21.862 -19.134 1.00 24.15 H new ATOM 0 HA ASP A 15 2.536 -23.678 -20.965 1.00 22.14 H new ATOM 0 HB2 ASP A 15 3.584 -21.321 -21.376 1.00 33.54 H new ATOM 0 HB3 ASP A 15 5.127 -22.152 -21.403 1.00 33.54 H new ATOM 212 N GLU A 16 4.583 -25.251 -21.667 1.00 64.42 N ATOM 213 CA GLU A 16 5.404 -26.461 -21.764 1.00 72.15 C ATOM 214 C GLU A 16 6.842 -26.116 -22.150 1.00 0.22 C ATOM 215 O GLU A 16 7.794 -26.766 -21.716 1.00 14.11 O ATOM 216 CB GLU A 16 4.818 -27.387 -22.832 1.00 10.52 C ATOM 217 CG GLU A 16 3.321 -27.621 -22.691 1.00 35.24 C ATOM 218 CD GLU A 16 2.740 -28.359 -23.883 1.00 43.11 C ATOM 219 OE1 GLU A 16 2.442 -27.698 -24.904 1.00 60.31 O ATOM 220 OE2 GLU A 16 2.579 -29.597 -23.809 1.00 71.15 O ATOM 0 H GLU A 16 4.131 -24.990 -22.543 1.00 64.42 H new ATOM 0 HA GLU A 16 5.407 -26.952 -20.791 1.00 72.15 H new ATOM 0 HB2 GLU A 16 5.018 -26.963 -23.816 1.00 10.52 H new ATOM 0 HB3 GLU A 16 5.332 -28.347 -22.788 1.00 10.52 H new ATOM 0 HG2 GLU A 16 3.129 -28.193 -21.783 1.00 35.24 H new ATOM 0 HG3 GLU A 16 2.815 -26.663 -22.577 1.00 35.24 H new ATOM 227 N ASP A 17 6.975 -25.088 -22.978 1.00 22.24 N ATOM 228 CA ASP A 17 8.266 -24.703 -23.555 1.00 3.22 C ATOM 229 C ASP A 17 9.181 -24.086 -22.503 1.00 74.54 C ATOM 230 O ASP A 17 10.408 -24.095 -22.647 1.00 14.22 O ATOM 231 CB ASP A 17 8.043 -23.714 -24.707 1.00 73.41 C ATOM 232 CG ASP A 17 9.344 -23.209 -25.309 1.00 11.32 C ATOM 233 OD1 ASP A 17 10.040 -23.997 -25.984 1.00 23.03 O ATOM 234 OD2 ASP A 17 9.679 -22.021 -25.108 1.00 74.33 O ATOM 0 H ASP A 17 6.197 -24.497 -23.271 1.00 22.24 H new ATOM 0 HA ASP A 17 8.753 -25.601 -23.935 1.00 3.22 H new ATOM 0 HB2 ASP A 17 7.451 -24.197 -25.485 1.00 73.41 H new ATOM 0 HB3 ASP A 17 7.462 -22.866 -24.345 1.00 73.41 H new ATOM 239 N GLY A 18 8.582 -23.564 -21.443 1.00 22.32 N ATOM 240 CA GLY A 18 9.355 -22.968 -20.370 1.00 55.12 C ATOM 241 C GLY A 18 10.107 -24.013 -19.570 1.00 21.01 C ATOM 242 O GLY A 18 9.513 -24.986 -19.105 1.00 22.31 O ATOM 0 H GLY A 18 7.572 -23.542 -21.305 1.00 22.32 H new ATOM 0 HA2 GLY A 18 10.062 -22.251 -20.787 1.00 55.12 H new ATOM 0 HA3 GLY A 18 8.690 -22.413 -19.708 1.00 55.12 H new ATOM 246 N MET A 19 11.414 -23.820 -19.414 1.00 71.05 N ATOM 247 CA MET A 19 12.234 -24.733 -18.626 1.00 33.54 C ATOM 248 C MET A 19 12.110 -24.354 -17.154 1.00 63.41 C ATOM 249 O MET A 19 12.306 -23.189 -16.793 1.00 61.02 O ATOM 250 CB MET A 19 13.702 -24.670 -19.073 1.00 64.03 C ATOM 251 CG MET A 19 13.888 -24.714 -20.588 1.00 15.00 C ATOM 252 SD MET A 19 13.371 -26.276 -21.333 1.00 45.42 S ATOM 253 CE MET A 19 14.666 -27.373 -20.759 1.00 24.42 C ATOM 0 H MET A 19 11.927 -23.039 -19.823 1.00 71.05 H new ATOM 0 HA MET A 19 11.885 -25.755 -18.775 1.00 33.54 H new ATOM 0 HB2 MET A 19 14.150 -23.754 -18.688 1.00 64.03 H new ATOM 0 HB3 MET A 19 14.244 -25.503 -18.625 1.00 64.03 H new ATOM 0 HG2 MET A 19 13.321 -23.900 -21.039 1.00 15.00 H new ATOM 0 HG3 MET A 19 14.938 -24.539 -20.822 1.00 15.00 H new ATOM 0 HE1 MET A 19 14.380 -28.407 -20.953 1.00 24.42 H new ATOM 0 HE2 MET A 19 15.593 -27.148 -21.286 1.00 24.42 H new ATOM 0 HE3 MET A 19 14.814 -27.232 -19.688 1.00 24.42 H new ATOM 263 N PHE A 20 11.778 -25.320 -16.307 1.00 61.25 N ATOM 264 CA PHE A 20 11.488 -25.038 -14.903 1.00 32.04 C ATOM 265 C PHE A 20 12.444 -25.800 -13.989 1.00 71.52 C ATOM 266 O PHE A 20 13.027 -26.807 -14.390 1.00 70.12 O ATOM 267 CB PHE A 20 10.038 -25.428 -14.560 1.00 3.13 C ATOM 268 CG PHE A 20 8.981 -24.856 -15.483 1.00 61.03 C ATOM 269 CD1 PHE A 20 9.070 -23.557 -15.965 1.00 54.41 C ATOM 270 CD2 PHE A 20 7.891 -25.628 -15.868 1.00 44.04 C ATOM 271 CE1 PHE A 20 8.098 -23.041 -16.806 1.00 24.51 C ATOM 272 CE2 PHE A 20 6.919 -25.115 -16.705 1.00 71.41 C ATOM 273 CZ PHE A 20 7.022 -23.821 -17.174 1.00 15.24 C ATOM 0 H PHE A 20 11.702 -26.304 -16.565 1.00 61.25 H new ATOM 0 HA PHE A 20 11.620 -23.968 -14.745 1.00 32.04 H new ATOM 0 HB2 PHE A 20 9.958 -26.515 -14.572 1.00 3.13 H new ATOM 0 HB3 PHE A 20 9.823 -25.104 -13.542 1.00 3.13 H new ATOM 0 HD1 PHE A 20 9.909 -22.940 -15.680 1.00 54.41 H new ATOM 0 HD2 PHE A 20 7.803 -26.642 -15.508 1.00 44.04 H new ATOM 0 HE1 PHE A 20 8.183 -22.029 -17.173 1.00 24.51 H new ATOM 0 HE2 PHE A 20 6.077 -25.727 -16.993 1.00 71.41 H new ATOM 0 HZ PHE A 20 6.262 -23.420 -17.828 1.00 15.24 H new ATOM 283 N PHE A 21 12.606 -25.308 -12.766 1.00 10.12 N ATOM 284 CA PHE A 21 13.356 -26.023 -11.736 1.00 12.01 C ATOM 285 C PHE A 21 12.431 -26.403 -10.587 1.00 31.14 C ATOM 286 O PHE A 21 11.463 -25.694 -10.302 1.00 62.34 O ATOM 287 CB PHE A 21 14.548 -25.203 -11.209 1.00 11.41 C ATOM 288 CG PHE A 21 14.408 -23.712 -11.336 1.00 11.11 C ATOM 289 CD1 PHE A 21 14.832 -23.072 -12.486 1.00 12.25 C ATOM 290 CD2 PHE A 21 13.879 -22.950 -10.304 1.00 14.31 C ATOM 291 CE1 PHE A 21 14.727 -21.702 -12.610 1.00 70.43 C ATOM 292 CE2 PHE A 21 13.774 -21.579 -10.423 1.00 22.23 C ATOM 293 CZ PHE A 21 14.199 -20.953 -11.577 1.00 73.54 C ATOM 0 H PHE A 21 12.226 -24.412 -12.461 1.00 10.12 H new ATOM 0 HA PHE A 21 13.761 -26.926 -12.194 1.00 12.01 H new ATOM 0 HB2 PHE A 21 14.701 -25.449 -10.158 1.00 11.41 H new ATOM 0 HB3 PHE A 21 15.446 -25.514 -11.743 1.00 11.41 H new ATOM 0 HD1 PHE A 21 15.250 -23.651 -13.296 1.00 12.25 H new ATOM 0 HD2 PHE A 21 13.546 -23.435 -9.398 1.00 14.31 H new ATOM 0 HE1 PHE A 21 15.058 -21.215 -13.515 1.00 70.43 H new ATOM 0 HE2 PHE A 21 13.359 -20.997 -9.614 1.00 22.23 H new ATOM 0 HZ PHE A 21 14.119 -19.880 -11.672 1.00 73.54 H new ATOM 303 N VAL A 22 12.724 -27.518 -9.928 1.00 32.43 N ATOM 304 CA VAL A 22 11.917 -27.975 -8.810 1.00 52.22 C ATOM 305 C VAL A 22 12.679 -27.721 -7.513 1.00 31.51 C ATOM 306 O VAL A 22 13.860 -28.073 -7.397 1.00 75.34 O ATOM 307 CB VAL A 22 11.542 -29.476 -8.926 1.00 44.01 C ATOM 308 CG1 VAL A 22 10.537 -29.857 -7.838 1.00 24.52 C ATOM 309 CG2 VAL A 22 10.988 -29.798 -10.319 1.00 1.01 C ATOM 0 H VAL A 22 13.516 -28.121 -10.151 1.00 32.43 H new ATOM 0 HA VAL A 22 10.982 -27.416 -8.817 1.00 52.22 H new ATOM 0 HB VAL A 22 12.446 -30.068 -8.784 1.00 44.01 H new ATOM 0 HG11 VAL A 22 10.283 -30.913 -7.931 1.00 24.52 H new ATOM 0 HG12 VAL A 22 10.976 -29.675 -6.857 1.00 24.52 H new ATOM 0 HG13 VAL A 22 9.635 -29.255 -7.949 1.00 24.52 H new ATOM 0 HG21 VAL A 22 10.733 -30.856 -10.373 1.00 1.01 H new ATOM 0 HG22 VAL A 22 10.096 -29.200 -10.503 1.00 1.01 H new ATOM 0 HG23 VAL A 22 11.741 -29.567 -11.072 1.00 1.01 H new ATOM 319 N LEU A 23 12.004 -27.091 -6.559 1.00 13.42 N ATOM 320 CA LEU A 23 12.628 -26.641 -5.315 1.00 60.42 C ATOM 321 C LEU A 23 12.182 -27.508 -4.137 1.00 65.53 C ATOM 322 O LEU A 23 11.301 -28.363 -4.283 1.00 63.14 O ATOM 323 CB LEU A 23 12.234 -25.180 -5.043 1.00 73.02 C ATOM 324 CG LEU A 23 12.423 -24.214 -6.223 1.00 31.12 C ATOM 325 CD1 LEU A 23 11.848 -22.838 -5.895 1.00 65.11 C ATOM 326 CD2 LEU A 23 13.891 -24.104 -6.608 1.00 32.23 C ATOM 0 H LEU A 23 11.009 -26.876 -6.623 1.00 13.42 H new ATOM 0 HA LEU A 23 13.709 -26.725 -5.422 1.00 60.42 H new ATOM 0 HB2 LEU A 23 11.188 -25.155 -4.739 1.00 73.02 H new ATOM 0 HB3 LEU A 23 12.820 -24.815 -4.199 1.00 73.02 H new ATOM 0 HG LEU A 23 11.879 -24.617 -7.077 1.00 31.12 H new ATOM 0 HD11 LEU A 23 11.993 -22.171 -6.745 1.00 65.11 H new ATOM 0 HD12 LEU A 23 10.783 -22.930 -5.684 1.00 65.11 H new ATOM 0 HD13 LEU A 23 12.357 -22.430 -5.022 1.00 65.11 H new ATOM 0 HD21 LEU A 23 13.997 -23.414 -7.445 1.00 32.23 H new ATOM 0 HD22 LEU A 23 14.463 -23.733 -5.758 1.00 32.23 H new ATOM 0 HD23 LEU A 23 14.266 -25.086 -6.897 1.00 32.23 H new ATOM 338 N ILE A 24 12.785 -27.275 -2.971 1.00 4.03 N ATOM 339 CA ILE A 24 12.344 -27.912 -1.733 1.00 14.44 C ATOM 340 C ILE A 24 12.564 -26.990 -0.537 1.00 20.22 C ATOM 341 O ILE A 24 13.493 -26.169 -0.526 1.00 63.42 O ATOM 342 CB ILE A 24 13.067 -29.260 -1.452 1.00 41.31 C ATOM 343 CG1 ILE A 24 12.346 -30.032 -0.328 1.00 51.34 C ATOM 344 CG2 ILE A 24 14.527 -29.024 -1.076 1.00 63.03 C ATOM 345 CD1 ILE A 24 13.074 -31.279 0.133 1.00 72.04 C ATOM 0 H ILE A 24 13.582 -26.648 -2.859 1.00 4.03 H new ATOM 0 HA ILE A 24 11.282 -28.114 -1.869 1.00 14.44 H new ATOM 0 HB ILE A 24 13.039 -29.857 -2.363 1.00 41.31 H new ATOM 0 HG12 ILE A 24 12.210 -29.367 0.525 1.00 51.34 H new ATOM 0 HG13 ILE A 24 11.351 -30.312 -0.675 1.00 51.34 H new ATOM 0 HG21 ILE A 24 15.012 -29.981 -0.884 1.00 63.03 H new ATOM 0 HG22 ILE A 24 15.036 -28.517 -1.895 1.00 63.03 H new ATOM 0 HG23 ILE A 24 14.577 -28.406 -0.180 1.00 63.03 H new ATOM 0 HD11 ILE A 24 12.501 -31.763 0.924 1.00 72.04 H new ATOM 0 HD12 ILE A 24 13.186 -31.966 -0.706 1.00 72.04 H new ATOM 0 HD13 ILE A 24 14.059 -31.006 0.513 1.00 72.04 H new ATOM 357 N ASN A 25 11.683 -27.125 0.447 1.00 75.55 N ATOM 358 CA ASN A 25 11.847 -26.500 1.755 1.00 14.42 C ATOM 359 C ASN A 25 11.938 -27.605 2.804 1.00 33.01 C ATOM 360 O ASN A 25 11.379 -28.694 2.601 1.00 70.04 O ATOM 361 CB ASN A 25 10.667 -25.574 2.074 1.00 41.24 C ATOM 362 CG ASN A 25 10.843 -24.824 3.382 1.00 20.01 C ATOM 363 OD1 ASN A 25 11.959 -24.511 3.793 1.00 54.42 O ATOM 364 ND2 ASN A 25 9.736 -24.535 4.049 1.00 44.54 N ATOM 0 H ASN A 25 10.828 -27.675 0.360 1.00 75.55 H new ATOM 0 HA ASN A 25 12.754 -25.895 1.756 1.00 14.42 H new ATOM 0 HB2 ASN A 25 10.545 -24.856 1.263 1.00 41.24 H new ATOM 0 HB3 ASN A 25 9.751 -26.163 2.119 1.00 41.24 H new ATOM 0 HD21 ASN A 25 9.791 -24.036 4.937 1.00 44.54 H new ATOM 0 HD22 ASN A 25 8.828 -24.812 3.675 1.00 44.54 H new ATOM 371 N ASP A 26 12.582 -27.295 3.931 1.00 0.51 N ATOM 372 CA ASP A 26 12.986 -28.299 4.938 1.00 41.45 C ATOM 373 C ASP A 26 11.842 -29.234 5.319 1.00 23.42 C ATOM 374 O ASP A 26 12.064 -30.396 5.664 1.00 60.33 O ATOM 375 CB ASP A 26 13.522 -27.618 6.205 1.00 15.32 C ATOM 376 CG ASP A 26 14.760 -26.774 5.945 1.00 11.14 C ATOM 377 OD1 ASP A 26 15.856 -27.351 5.774 1.00 61.30 O ATOM 378 OD2 ASP A 26 14.643 -25.532 5.918 1.00 61.45 O ATOM 0 H ASP A 26 12.842 -26.340 4.179 1.00 0.51 H new ATOM 0 HA ASP A 26 13.774 -28.895 4.478 1.00 41.45 H new ATOM 0 HB2 ASP A 26 12.741 -26.987 6.630 1.00 15.32 H new ATOM 0 HB3 ASP A 26 13.757 -28.379 6.949 1.00 15.32 H new ATOM 383 N GLU A 27 10.624 -28.725 5.252 1.00 22.54 N ATOM 384 CA GLU A 27 9.430 -29.518 5.520 1.00 61.02 C ATOM 385 C GLU A 27 9.117 -30.455 4.339 1.00 61.13 C ATOM 386 O GLU A 27 7.956 -30.794 4.098 1.00 71.33 O ATOM 387 CB GLU A 27 8.236 -28.588 5.787 1.00 25.02 C ATOM 388 CG GLU A 27 8.413 -27.644 6.976 1.00 4.32 C ATOM 389 CD GLU A 27 9.086 -26.329 6.606 1.00 34.53 C ATOM 390 OE1 GLU A 27 10.322 -26.304 6.454 1.00 73.21 O ATOM 391 OE2 GLU A 27 8.374 -25.311 6.466 1.00 24.01 O ATOM 0 H GLU A 27 10.432 -27.753 5.011 1.00 22.54 H new ATOM 0 HA GLU A 27 9.613 -30.131 6.402 1.00 61.02 H new ATOM 0 HB2 GLU A 27 8.050 -27.993 4.893 1.00 25.02 H new ATOM 0 HB3 GLU A 27 7.348 -29.198 5.954 1.00 25.02 H new ATOM 0 HG2 GLU A 27 7.437 -27.434 7.413 1.00 4.32 H new ATOM 0 HG3 GLU A 27 9.005 -28.144 7.743 1.00 4.32 H new ATOM 398 N GLU A 28 10.168 -30.900 3.639 1.00 74.33 N ATOM 399 CA GLU A 28 10.045 -31.716 2.433 1.00 5.20 C ATOM 400 C GLU A 28 9.067 -31.108 1.433 1.00 42.14 C ATOM 401 O GLU A 28 8.500 -31.812 0.589 1.00 30.30 O ATOM 402 CB GLU A 28 9.645 -33.146 2.807 1.00 11.13 C ATOM 403 CG GLU A 28 10.691 -33.843 3.666 1.00 44.12 C ATOM 404 CD GLU A 28 12.050 -33.918 2.983 1.00 45.01 C ATOM 405 OE1 GLU A 28 12.204 -34.710 2.027 1.00 15.51 O ATOM 406 OE2 GLU A 28 12.969 -33.176 3.390 1.00 33.23 O ATOM 0 H GLU A 28 11.134 -30.700 3.899 1.00 74.33 H new ATOM 0 HA GLU A 28 11.017 -31.744 1.941 1.00 5.20 H new ATOM 0 HB2 GLU A 28 8.696 -33.125 3.343 1.00 11.13 H new ATOM 0 HB3 GLU A 28 9.484 -33.724 1.897 1.00 11.13 H new ATOM 0 HG2 GLU A 28 10.792 -33.312 4.612 1.00 44.12 H new ATOM 0 HG3 GLU A 28 10.350 -34.851 3.902 1.00 44.12 H new ATOM 413 N GLN A 29 8.921 -29.787 1.486 1.00 64.21 N ATOM 414 CA GLN A 29 7.959 -29.104 0.629 1.00 51.25 C ATOM 415 C GLN A 29 8.552 -28.931 -0.761 1.00 33.51 C ATOM 416 O GLN A 29 9.546 -28.236 -0.926 1.00 74.21 O ATOM 417 CB GLN A 29 7.575 -27.739 1.216 1.00 71.23 C ATOM 418 CG GLN A 29 6.810 -27.820 2.535 1.00 15.21 C ATOM 419 CD GLN A 29 6.511 -26.450 3.123 1.00 15.23 C ATOM 420 OE1 GLN A 29 7.267 -25.500 2.926 1.00 50.34 O ATOM 421 NE2 GLN A 29 5.413 -26.341 3.858 1.00 41.25 N ATOM 0 H GLN A 29 9.450 -29.174 2.106 1.00 64.21 H new ATOM 0 HA GLN A 29 7.055 -29.709 0.565 1.00 51.25 H new ATOM 0 HB2 GLN A 29 8.482 -27.154 1.370 1.00 71.23 H new ATOM 0 HB3 GLN A 29 6.967 -27.201 0.489 1.00 71.23 H new ATOM 0 HG2 GLN A 29 5.874 -28.355 2.375 1.00 15.21 H new ATOM 0 HG3 GLN A 29 7.390 -28.400 3.252 1.00 15.21 H new ATOM 0 HE21 GLN A 29 4.811 -27.152 3.999 1.00 41.25 H new ATOM 0 HE22 GLN A 29 5.170 -25.446 4.283 1.00 41.25 H new ATOM 430 N HIS A 30 7.940 -29.563 -1.751 1.00 71.42 N ATOM 431 CA HIS A 30 8.421 -29.490 -3.128 1.00 42.33 C ATOM 432 C HIS A 30 7.487 -28.622 -3.960 1.00 72.03 C ATOM 433 O HIS A 30 6.274 -28.623 -3.741 1.00 21.01 O ATOM 434 CB HIS A 30 8.537 -30.898 -3.733 1.00 50.11 C ATOM 435 CG HIS A 30 9.679 -31.705 -3.179 1.00 63.33 C ATOM 436 ND1 HIS A 30 9.588 -32.476 -2.035 1.00 62.20 N ATOM 437 CD2 HIS A 30 10.944 -31.872 -3.638 1.00 60.32 C ATOM 438 CE1 HIS A 30 10.744 -33.080 -1.823 1.00 74.33 C ATOM 439 NE2 HIS A 30 11.579 -32.730 -2.779 1.00 40.22 N ATOM 0 H HIS A 30 7.105 -30.136 -1.628 1.00 71.42 H new ATOM 0 HA HIS A 30 9.413 -29.037 -3.131 1.00 42.33 H new ATOM 0 HB2 HIS A 30 7.606 -31.436 -3.558 1.00 50.11 H new ATOM 0 HB3 HIS A 30 8.656 -30.811 -4.813 1.00 50.11 H new ATOM 0 HD1 HIS A 30 8.759 -32.565 -1.447 1.00 62.20 H new ATOM 0 HD2 HIS A 30 11.372 -31.414 -4.517 1.00 60.32 H new ATOM 0 HE1 HIS A 30 10.966 -33.748 -1.004 1.00 74.33 H new ATOM 448 N SER A 31 8.055 -27.894 -4.914 1.00 35.33 N ATOM 449 CA SER A 31 7.303 -26.953 -5.725 1.00 44.32 C ATOM 450 C SER A 31 8.037 -26.732 -7.039 1.00 41.34 C ATOM 451 O SER A 31 9.176 -27.180 -7.200 1.00 42.53 O ATOM 452 CB SER A 31 7.125 -25.623 -4.974 1.00 53.22 C ATOM 453 OG SER A 31 6.314 -24.719 -5.703 1.00 51.33 O ATOM 0 H SER A 31 9.048 -27.941 -5.144 1.00 35.33 H new ATOM 0 HA SER A 31 6.312 -27.359 -5.930 1.00 44.32 H new ATOM 0 HB2 SER A 31 6.675 -25.812 -3.999 1.00 53.22 H new ATOM 0 HB3 SER A 31 8.101 -25.173 -4.793 1.00 53.22 H new ATOM 0 HG SER A 31 6.219 -23.885 -5.198 1.00 51.33 H new ATOM 459 N LEU A 32 7.398 -26.034 -7.960 1.00 3.13 N ATOM 460 CA LEU A 32 7.939 -25.839 -9.294 1.00 2.12 C ATOM 461 C LEU A 32 8.049 -24.349 -9.590 1.00 23.13 C ATOM 462 O LEU A 32 7.094 -23.598 -9.390 1.00 0.03 O ATOM 463 CB LEU A 32 7.040 -26.544 -10.315 1.00 20.23 C ATOM 464 CG LEU A 32 7.562 -26.555 -11.760 1.00 74.50 C ATOM 465 CD1 LEU A 32 8.915 -27.250 -11.836 1.00 31.30 C ATOM 466 CD2 LEU A 32 6.555 -27.227 -12.694 1.00 54.31 C ATOM 0 H LEU A 32 6.494 -25.588 -7.806 1.00 3.13 H new ATOM 0 HA LEU A 32 8.938 -26.271 -9.359 1.00 2.12 H new ATOM 0 HB2 LEU A 32 6.893 -27.575 -9.993 1.00 20.23 H new ATOM 0 HB3 LEU A 32 6.062 -26.064 -10.304 1.00 20.23 H new ATOM 0 HG LEU A 32 7.690 -25.522 -12.085 1.00 74.50 H new ATOM 0 HD11 LEU A 32 9.268 -27.248 -12.867 1.00 31.30 H new ATOM 0 HD12 LEU A 32 9.631 -26.722 -11.206 1.00 31.30 H new ATOM 0 HD13 LEU A 32 8.816 -28.278 -11.489 1.00 31.30 H new ATOM 0 HD21 LEU A 32 6.945 -27.224 -13.712 1.00 54.31 H new ATOM 0 HD22 LEU A 32 6.390 -28.255 -12.372 1.00 54.31 H new ATOM 0 HD23 LEU A 32 5.612 -26.682 -12.665 1.00 54.31 H new ATOM 478 N TRP A 33 9.218 -23.924 -10.058 1.00 3.12 N ATOM 479 CA TRP A 33 9.496 -22.508 -10.265 1.00 32.24 C ATOM 480 C TRP A 33 10.070 -22.276 -11.666 1.00 54.31 C ATOM 481 O TRP A 33 10.939 -23.028 -12.116 1.00 25.10 O ATOM 482 CB TRP A 33 10.483 -22.019 -9.196 1.00 63.34 C ATOM 483 CG TRP A 33 10.320 -20.569 -8.851 1.00 1.25 C ATOM 484 CD1 TRP A 33 11.106 -19.528 -9.257 1.00 61.25 C ATOM 485 CD2 TRP A 33 9.295 -20.000 -8.029 1.00 60.41 C ATOM 486 NE1 TRP A 33 10.636 -18.352 -8.730 1.00 2.11 N ATOM 487 CE2 TRP A 33 9.524 -18.613 -7.975 1.00 44.30 C ATOM 488 CE3 TRP A 33 8.205 -20.531 -7.333 1.00 13.51 C ATOM 489 CZ2 TRP A 33 8.704 -17.749 -7.252 1.00 54.44 C ATOM 490 CZ3 TRP A 33 7.390 -19.674 -6.615 1.00 3.41 C ATOM 491 CH2 TRP A 33 7.643 -18.297 -6.579 1.00 1.12 C ATOM 0 H TRP A 33 9.991 -24.543 -10.302 1.00 3.12 H new ATOM 0 HA TRP A 33 8.567 -21.945 -10.179 1.00 32.24 H new ATOM 0 HB2 TRP A 33 10.354 -22.616 -8.293 1.00 63.34 H new ATOM 0 HB3 TRP A 33 11.501 -22.189 -9.547 1.00 63.34 H new ATOM 0 HD1 TRP A 33 11.970 -19.618 -9.898 1.00 61.25 H new ATOM 0 HE1 TRP A 33 11.049 -17.431 -8.877 1.00 2.11 H new ATOM 0 HE3 TRP A 33 8.003 -21.592 -7.355 1.00 13.51 H new ATOM 0 HZ2 TRP A 33 8.897 -16.687 -7.223 1.00 54.44 H new ATOM 0 HZ3 TRP A 33 6.545 -20.073 -6.074 1.00 3.41 H new ATOM 0 HH2 TRP A 33 6.989 -17.654 -6.009 1.00 1.12 H new ATOM 502 N PRO A 34 9.583 -21.242 -12.384 1.00 25.13 N ATOM 503 CA PRO A 34 10.050 -20.932 -13.733 1.00 42.25 C ATOM 504 C PRO A 34 11.336 -20.101 -13.737 1.00 14.23 C ATOM 505 O PRO A 34 11.607 -19.346 -12.801 1.00 50.31 O ATOM 506 CB PRO A 34 8.881 -20.130 -14.312 1.00 31.40 C ATOM 507 CG PRO A 34 8.334 -19.392 -13.139 1.00 22.21 C ATOM 508 CD PRO A 34 8.527 -20.301 -11.944 1.00 51.42 C ATOM 0 HA PRO A 34 10.305 -21.827 -14.301 1.00 42.25 H new ATOM 0 HB2 PRO A 34 9.214 -19.447 -15.093 1.00 31.40 H new ATOM 0 HB3 PRO A 34 8.131 -20.783 -14.758 1.00 31.40 H new ATOM 0 HG2 PRO A 34 8.855 -18.445 -12.997 1.00 22.21 H new ATOM 0 HG3 PRO A 34 7.280 -19.157 -13.284 1.00 22.21 H new ATOM 0 HD2 PRO A 34 8.833 -19.741 -11.060 1.00 51.42 H new ATOM 0 HD3 PRO A 34 7.606 -20.825 -11.687 1.00 51.42 H new ATOM 516 N THR A 35 12.104 -20.227 -14.818 1.00 20.31 N ATOM 517 CA THR A 35 13.354 -19.487 -14.990 1.00 14.53 C ATOM 518 C THR A 35 13.106 -17.978 -15.078 1.00 24.53 C ATOM 519 O THR A 35 14.037 -17.175 -14.989 1.00 70.21 O ATOM 520 CB THR A 35 14.078 -19.955 -16.275 1.00 2.34 C ATOM 521 OG1 THR A 35 13.136 -20.020 -17.355 1.00 13.41 O ATOM 522 CG2 THR A 35 14.734 -21.321 -16.088 1.00 20.12 C ATOM 0 H THR A 35 11.878 -20.844 -15.598 1.00 20.31 H new ATOM 0 HA THR A 35 13.976 -19.687 -14.117 1.00 14.53 H new ATOM 0 HB THR A 35 14.864 -19.234 -16.501 1.00 2.34 H new ATOM 0 HG1 THR A 35 12.751 -20.920 -17.400 1.00 13.41 H new ATOM 0 HG21 THR A 35 15.232 -21.615 -17.012 1.00 20.12 H new ATOM 0 HG22 THR A 35 15.466 -21.266 -15.283 1.00 20.12 H new ATOM 0 HG23 THR A 35 13.972 -22.059 -15.836 1.00 20.12 H new ATOM 530 N PHE A 36 11.842 -17.605 -15.250 1.00 54.32 N ATOM 531 CA PHE A 36 11.460 -16.211 -15.456 1.00 23.33 C ATOM 532 C PHE A 36 11.358 -15.451 -14.132 1.00 20.31 C ATOM 533 O PHE A 36 11.187 -14.229 -14.124 1.00 11.01 O ATOM 534 CB PHE A 36 10.121 -16.150 -16.201 1.00 71.31 C ATOM 535 CG PHE A 36 10.070 -17.038 -17.423 1.00 0.31 C ATOM 536 CD1 PHE A 36 10.809 -16.733 -18.554 1.00 21.12 C ATOM 537 CD2 PHE A 36 9.287 -18.186 -17.432 1.00 72.31 C ATOM 538 CE1 PHE A 36 10.768 -17.548 -19.670 1.00 35.02 C ATOM 539 CE2 PHE A 36 9.244 -19.005 -18.545 1.00 4.13 C ATOM 540 CZ PHE A 36 9.985 -18.686 -19.665 1.00 61.34 C ATOM 0 H PHE A 36 11.057 -18.256 -15.251 1.00 54.32 H new ATOM 0 HA PHE A 36 12.237 -15.732 -16.052 1.00 23.33 H new ATOM 0 HB2 PHE A 36 9.321 -16.438 -15.519 1.00 71.31 H new ATOM 0 HB3 PHE A 36 9.928 -15.120 -16.502 1.00 71.31 H new ATOM 0 HD1 PHE A 36 11.426 -15.846 -18.564 1.00 21.12 H new ATOM 0 HD2 PHE A 36 8.705 -18.442 -16.559 1.00 72.31 H new ATOM 0 HE1 PHE A 36 11.348 -17.295 -20.545 1.00 35.02 H new ATOM 0 HE2 PHE A 36 8.631 -19.894 -18.538 1.00 4.13 H new ATOM 0 HZ PHE A 36 9.953 -19.325 -20.535 1.00 61.34 H new ATOM 550 N ALA A 37 11.480 -16.166 -13.015 1.00 31.31 N ATOM 551 CA ALA A 37 11.325 -15.558 -11.693 1.00 2.32 C ATOM 552 C ALA A 37 12.486 -15.924 -10.772 1.00 65.11 C ATOM 553 O ALA A 37 13.188 -16.912 -11.000 1.00 71.31 O ATOM 554 CB ALA A 37 9.996 -15.988 -11.073 1.00 32.12 C ATOM 0 H ALA A 37 11.685 -17.165 -12.998 1.00 31.31 H new ATOM 0 HA ALA A 37 11.329 -14.475 -11.815 1.00 2.32 H new ATOM 0 HB1 ALA A 37 9.889 -15.531 -10.089 1.00 32.12 H new ATOM 0 HB2 ALA A 37 9.175 -15.667 -11.714 1.00 32.12 H new ATOM 0 HB3 ALA A 37 9.975 -17.073 -10.973 1.00 32.12 H new ATOM 560 N ASP A 38 12.675 -15.114 -9.729 1.00 62.40 N ATOM 561 CA ASP A 38 13.721 -15.348 -8.728 1.00 71.51 C ATOM 562 C ASP A 38 13.329 -16.498 -7.811 1.00 32.04 C ATOM 563 O ASP A 38 12.160 -16.625 -7.436 1.00 55.21 O ATOM 564 CB ASP A 38 13.962 -14.090 -7.873 1.00 73.44 C ATOM 565 CG ASP A 38 14.616 -12.955 -8.639 1.00 11.53 C ATOM 566 OD1 ASP A 38 13.899 -12.232 -9.370 1.00 71.03 O ATOM 567 OD2 ASP A 38 15.842 -12.759 -8.496 1.00 12.15 O ATOM 0 H ASP A 38 12.112 -14.282 -9.553 1.00 62.40 H new ATOM 0 HA ASP A 38 14.638 -15.597 -9.263 1.00 71.51 H new ATOM 0 HB2 ASP A 38 13.009 -13.745 -7.471 1.00 73.44 H new ATOM 0 HB3 ASP A 38 14.590 -14.353 -7.022 1.00 73.44 H new ATOM 572 N VAL A 39 14.307 -17.323 -7.444 1.00 54.22 N ATOM 573 CA VAL A 39 14.078 -18.437 -6.530 1.00 43.22 C ATOM 574 C VAL A 39 13.770 -17.908 -5.124 1.00 15.13 C ATOM 575 O VAL A 39 14.569 -17.158 -4.554 1.00 15.20 O ATOM 576 CB VAL A 39 15.308 -19.386 -6.468 1.00 24.11 C ATOM 577 CG1 VAL A 39 15.047 -20.561 -5.522 1.00 4.21 C ATOM 578 CG2 VAL A 39 15.676 -19.888 -7.867 1.00 12.12 C ATOM 0 H VAL A 39 15.270 -17.239 -7.768 1.00 54.22 H new ATOM 0 HA VAL A 39 13.227 -19.004 -6.906 1.00 43.22 H new ATOM 0 HB VAL A 39 16.152 -18.819 -6.075 1.00 24.11 H new ATOM 0 HG11 VAL A 39 15.923 -21.209 -5.497 1.00 4.21 H new ATOM 0 HG12 VAL A 39 14.846 -20.183 -4.519 1.00 4.21 H new ATOM 0 HG13 VAL A 39 14.186 -21.128 -5.875 1.00 4.21 H new ATOM 0 HG21 VAL A 39 16.539 -20.550 -7.801 1.00 12.12 H new ATOM 0 HG22 VAL A 39 14.833 -20.432 -8.292 1.00 12.12 H new ATOM 0 HG23 VAL A 39 15.919 -19.039 -8.506 1.00 12.12 H new ATOM 588 N PRO A 40 12.613 -18.290 -4.547 1.00 15.15 N ATOM 589 CA PRO A 40 12.194 -17.804 -3.229 1.00 14.42 C ATOM 590 C PRO A 40 13.149 -18.260 -2.128 1.00 75.04 C ATOM 591 O PRO A 40 13.437 -19.458 -1.992 1.00 54.23 O ATOM 592 CB PRO A 40 10.788 -18.402 -3.040 1.00 2.52 C ATOM 593 CG PRO A 40 10.728 -19.565 -3.973 1.00 3.34 C ATOM 594 CD PRO A 40 11.635 -19.229 -5.129 1.00 13.40 C ATOM 0 HA PRO A 40 12.196 -16.716 -3.170 1.00 14.42 H new ATOM 0 HB2 PRO A 40 10.629 -18.716 -2.008 1.00 2.52 H new ATOM 0 HB3 PRO A 40 10.014 -17.670 -3.273 1.00 2.52 H new ATOM 0 HG2 PRO A 40 11.054 -20.479 -3.476 1.00 3.34 H new ATOM 0 HG3 PRO A 40 9.708 -19.735 -4.316 1.00 3.34 H new ATOM 0 HD2 PRO A 40 12.123 -20.119 -5.527 1.00 13.40 H new ATOM 0 HD3 PRO A 40 11.083 -18.773 -5.951 1.00 13.40 H new ATOM 602 N ALA A 41 13.655 -17.299 -1.360 1.00 33.41 N ATOM 603 CA ALA A 41 14.595 -17.579 -0.284 1.00 52.11 C ATOM 604 C ALA A 41 14.022 -18.623 0.671 1.00 43.14 C ATOM 605 O ALA A 41 12.897 -18.485 1.154 1.00 23.12 O ATOM 606 CB ALA A 41 14.936 -16.295 0.459 1.00 52.40 C ATOM 0 H ALA A 41 13.425 -16.311 -1.467 1.00 33.41 H new ATOM 0 HA ALA A 41 15.511 -17.984 -0.715 1.00 52.11 H new ATOM 0 HB1 ALA A 41 15.640 -16.515 1.262 1.00 52.40 H new ATOM 0 HB2 ALA A 41 15.386 -15.583 -0.233 1.00 52.40 H new ATOM 0 HB3 ALA A 41 14.027 -15.866 0.881 1.00 52.40 H new ATOM 612 N GLY A 42 14.803 -19.667 0.929 1.00 10.21 N ATOM 613 CA GLY A 42 14.355 -20.762 1.771 1.00 25.41 C ATOM 614 C GLY A 42 14.119 -22.024 0.968 1.00 61.12 C ATOM 615 O GLY A 42 14.241 -23.132 1.489 1.00 34.40 O ATOM 0 H GLY A 42 15.750 -19.775 0.565 1.00 10.21 H new ATOM 0 HA2 GLY A 42 15.099 -20.956 2.543 1.00 25.41 H new ATOM 0 HA3 GLY A 42 13.434 -20.477 2.280 1.00 25.41 H new ATOM 619 N TRP A 43 13.788 -21.857 -0.311 1.00 42.44 N ATOM 620 CA TRP A 43 13.551 -22.986 -1.202 1.00 35.33 C ATOM 621 C TRP A 43 14.796 -23.252 -2.040 1.00 5.14 C ATOM 622 O TRP A 43 15.209 -22.399 -2.829 1.00 44.43 O ATOM 623 CB TRP A 43 12.349 -22.700 -2.113 1.00 0.31 C ATOM 624 CG TRP A 43 11.063 -22.512 -1.364 1.00 11.10 C ATOM 625 CD1 TRP A 43 10.699 -21.431 -0.610 1.00 10.04 C ATOM 626 CD2 TRP A 43 9.966 -23.430 -1.303 1.00 4.32 C ATOM 627 NE1 TRP A 43 9.446 -21.627 -0.081 1.00 32.12 N ATOM 628 CE2 TRP A 43 8.976 -22.846 -0.492 1.00 30.42 C ATOM 629 CE3 TRP A 43 9.725 -24.692 -1.856 1.00 65.54 C ATOM 630 CZ2 TRP A 43 7.766 -23.480 -0.219 1.00 31.21 C ATOM 631 CZ3 TRP A 43 8.523 -25.319 -1.585 1.00 1.13 C ATOM 632 CH2 TRP A 43 7.557 -24.713 -0.774 1.00 1.41 C ATOM 0 H TRP A 43 13.678 -20.945 -0.753 1.00 42.44 H new ATOM 0 HA TRP A 43 13.330 -23.870 -0.604 1.00 35.33 H new ATOM 0 HB2 TRP A 43 12.553 -21.804 -2.700 1.00 0.31 H new ATOM 0 HB3 TRP A 43 12.233 -23.523 -2.818 1.00 0.31 H new ATOM 0 HD1 TRP A 43 11.307 -20.552 -0.453 1.00 10.04 H new ATOM 0 HE1 TRP A 43 8.947 -20.971 0.520 1.00 32.12 H new ATOM 0 HE3 TRP A 43 10.464 -25.168 -2.483 1.00 65.54 H new ATOM 0 HZ2 TRP A 43 7.020 -23.015 0.408 1.00 31.21 H new ATOM 0 HZ3 TRP A 43 8.326 -26.294 -2.007 1.00 1.13 H new ATOM 0 HH2 TRP A 43 6.628 -25.229 -0.582 1.00 1.41 H new ATOM 643 N ARG A 44 15.407 -24.421 -1.860 1.00 11.32 N ATOM 644 CA ARG A 44 16.620 -24.767 -2.603 1.00 5.43 C ATOM 645 C ARG A 44 16.264 -25.578 -3.840 1.00 3.31 C ATOM 646 O ARG A 44 15.319 -26.369 -3.822 1.00 13.14 O ATOM 647 CB ARG A 44 17.622 -25.545 -1.730 1.00 25.21 C ATOM 648 CG ARG A 44 17.127 -26.912 -1.264 1.00 12.21 C ATOM 649 CD ARG A 44 18.245 -27.737 -0.633 1.00 42.25 C ATOM 650 NE ARG A 44 19.286 -28.086 -1.607 1.00 33.10 N ATOM 651 CZ ARG A 44 20.504 -28.527 -1.281 1.00 75.23 C ATOM 652 NH1 ARG A 44 20.841 -28.699 -0.007 1.00 51.22 N ATOM 653 NH2 ARG A 44 21.379 -28.813 -2.237 1.00 70.20 N ATOM 0 H ARG A 44 15.087 -25.141 -1.212 1.00 11.32 H new ATOM 0 HA ARG A 44 17.098 -23.836 -2.907 1.00 5.43 H new ATOM 0 HB2 ARG A 44 18.546 -25.679 -2.292 1.00 25.21 H new ATOM 0 HB3 ARG A 44 17.866 -24.943 -0.855 1.00 25.21 H new ATOM 0 HG2 ARG A 44 16.321 -26.780 -0.542 1.00 12.21 H new ATOM 0 HG3 ARG A 44 16.709 -27.455 -2.112 1.00 12.21 H new ATOM 0 HD2 ARG A 44 18.690 -27.176 0.189 1.00 42.25 H new ATOM 0 HD3 ARG A 44 17.827 -28.649 -0.207 1.00 42.25 H new ATOM 0 HE ARG A 44 19.065 -27.985 -2.598 1.00 33.10 H new ATOM 0 HH11 ARG A 44 20.167 -28.494 0.731 1.00 51.22 H new ATOM 0 HH12 ARG A 44 21.773 -29.036 0.233 1.00 51.22 H new ATOM 0 HH21 ARG A 44 21.120 -28.696 -3.217 1.00 70.20 H new ATOM 0 HH22 ARG A 44 22.310 -29.150 -1.992 1.00 70.20 H new ATOM 667 N VAL A 45 17.023 -25.376 -4.908 1.00 33.52 N ATOM 668 CA VAL A 45 16.776 -26.056 -6.170 1.00 3.11 C ATOM 669 C VAL A 45 17.264 -27.501 -6.100 1.00 0.20 C ATOM 670 O VAL A 45 18.465 -27.751 -5.978 1.00 14.01 O ATOM 671 CB VAL A 45 17.492 -25.347 -7.344 1.00 42.52 C ATOM 672 CG1 VAL A 45 17.102 -25.986 -8.673 1.00 31.31 C ATOM 673 CG2 VAL A 45 17.191 -23.851 -7.355 1.00 40.23 C ATOM 0 H VAL A 45 17.821 -24.741 -4.924 1.00 33.52 H new ATOM 0 HA VAL A 45 15.700 -26.033 -6.345 1.00 3.11 H new ATOM 0 HB VAL A 45 18.566 -25.468 -7.204 1.00 42.52 H new ATOM 0 HG11 VAL A 45 17.615 -25.474 -9.487 1.00 31.31 H new ATOM 0 HG12 VAL A 45 17.387 -27.038 -8.669 1.00 31.31 H new ATOM 0 HG13 VAL A 45 16.024 -25.903 -8.814 1.00 31.31 H new ATOM 0 HG21 VAL A 45 17.709 -23.382 -8.192 1.00 40.23 H new ATOM 0 HG22 VAL A 45 16.117 -23.697 -7.460 1.00 40.23 H new ATOM 0 HG23 VAL A 45 17.532 -23.404 -6.421 1.00 40.23 H new ATOM 683 N VAL A 46 16.334 -28.445 -6.160 1.00 33.24 N ATOM 684 CA VAL A 46 16.678 -29.865 -6.145 1.00 13.35 C ATOM 685 C VAL A 46 16.834 -30.368 -7.573 1.00 21.32 C ATOM 686 O VAL A 46 17.645 -31.251 -7.856 1.00 22.43 O ATOM 687 CB VAL A 46 15.598 -30.701 -5.416 1.00 43.02 C ATOM 688 CG1 VAL A 46 15.171 -30.000 -4.141 1.00 54.42 C ATOM 689 CG2 VAL A 46 14.388 -30.961 -6.310 1.00 11.10 C ATOM 0 H VAL A 46 15.334 -28.255 -6.220 1.00 33.24 H new ATOM 0 HA VAL A 46 17.618 -29.980 -5.605 1.00 13.35 H new ATOM 0 HB VAL A 46 16.035 -31.667 -5.166 1.00 43.02 H new ATOM 0 HG11 VAL A 46 14.411 -30.596 -3.635 1.00 54.42 H new ATOM 0 HG12 VAL A 46 16.034 -29.880 -3.485 1.00 54.42 H new ATOM 0 HG13 VAL A 46 14.761 -29.020 -4.384 1.00 54.42 H new ATOM 0 HG21 VAL A 46 13.652 -31.550 -5.764 1.00 11.10 H new ATOM 0 HG22 VAL A 46 13.944 -30.011 -6.607 1.00 11.10 H new ATOM 0 HG23 VAL A 46 14.703 -31.508 -7.199 1.00 11.10 H new ATOM 699 N PHE A 47 16.047 -29.783 -8.466 1.00 63.21 N ATOM 700 CA PHE A 47 16.059 -30.148 -9.869 1.00 72.55 C ATOM 701 C PHE A 47 16.308 -28.887 -10.682 1.00 11.21 C ATOM 702 O PHE A 47 15.439 -28.022 -10.747 1.00 10.30 O ATOM 703 CB PHE A 47 14.711 -30.784 -10.257 1.00 21.25 C ATOM 704 CG PHE A 47 14.788 -31.773 -11.390 1.00 31.24 C ATOM 705 CD1 PHE A 47 15.155 -31.371 -12.664 1.00 33.42 C ATOM 706 CD2 PHE A 47 14.494 -33.111 -11.172 1.00 35.11 C ATOM 707 CE1 PHE A 47 15.229 -32.286 -13.697 1.00 40.53 C ATOM 708 CE2 PHE A 47 14.566 -34.027 -12.201 1.00 61.52 C ATOM 709 CZ PHE A 47 14.935 -33.615 -13.465 1.00 51.14 C ATOM 0 H PHE A 47 15.384 -29.043 -8.235 1.00 63.21 H new ATOM 0 HA PHE A 47 16.845 -30.877 -10.067 1.00 72.55 H new ATOM 0 HB2 PHE A 47 14.295 -31.285 -9.383 1.00 21.25 H new ATOM 0 HB3 PHE A 47 14.015 -29.991 -10.531 1.00 21.25 H new ATOM 0 HD1 PHE A 47 15.385 -30.333 -12.852 1.00 33.42 H new ATOM 0 HD2 PHE A 47 14.205 -33.440 -10.185 1.00 35.11 H new ATOM 0 HE1 PHE A 47 15.517 -31.961 -14.686 1.00 40.53 H new ATOM 0 HE2 PHE A 47 14.334 -35.066 -12.017 1.00 61.52 H new ATOM 0 HZ PHE A 47 14.994 -34.331 -14.272 1.00 51.14 H new ATOM 719 N GLY A 48 17.503 -28.772 -11.258 1.00 65.51 N ATOM 720 CA GLY A 48 17.864 -27.579 -12.014 1.00 3.32 C ATOM 721 C GLY A 48 16.944 -27.339 -13.191 1.00 73.14 C ATOM 722 O GLY A 48 16.084 -28.174 -13.489 1.00 32.53 O ATOM 0 H GLY A 48 18.231 -29.485 -11.215 1.00 65.51 H new ATOM 0 HA2 GLY A 48 17.837 -26.712 -11.354 1.00 3.32 H new ATOM 0 HA3 GLY A 48 18.889 -27.676 -12.372 1.00 3.32 H new ATOM 726 N GLU A 49 17.137 -26.212 -13.879 1.00 43.12 N ATOM 727 CA GLU A 49 16.273 -25.846 -14.997 1.00 43.14 C ATOM 728 C GLU A 49 16.239 -26.978 -16.027 1.00 60.45 C ATOM 729 O GLU A 49 17.271 -27.393 -16.560 1.00 2.22 O ATOM 730 CB GLU A 49 16.702 -24.495 -15.618 1.00 51.44 C ATOM 731 CG GLU A 49 18.203 -24.325 -15.883 1.00 44.04 C ATOM 732 CD GLU A 49 18.684 -24.993 -17.164 1.00 14.21 C ATOM 733 OE1 GLU A 49 18.075 -24.760 -18.230 1.00 54.24 O ATOM 734 OE2 GLU A 49 19.690 -25.734 -17.118 1.00 63.23 O ATOM 0 H GLU A 49 17.880 -25.542 -13.681 1.00 43.12 H new ATOM 0 HA GLU A 49 15.257 -25.705 -14.627 1.00 43.14 H new ATOM 0 HB2 GLU A 49 16.170 -24.365 -16.560 1.00 51.44 H new ATOM 0 HB3 GLU A 49 16.377 -23.693 -14.955 1.00 51.44 H new ATOM 0 HG2 GLU A 49 18.435 -23.261 -15.931 1.00 44.04 H new ATOM 0 HG3 GLU A 49 18.759 -24.735 -15.040 1.00 44.04 H new ATOM 741 N ALA A 50 15.049 -27.509 -16.254 1.00 15.04 N ATOM 742 CA ALA A 50 14.870 -28.686 -17.086 1.00 15.21 C ATOM 743 C ALA A 50 13.508 -28.667 -17.760 1.00 3.12 C ATOM 744 O ALA A 50 12.645 -27.853 -17.414 1.00 24.11 O ATOM 745 CB ALA A 50 15.032 -29.951 -16.254 1.00 15.15 C ATOM 0 H ALA A 50 14.182 -27.137 -15.867 1.00 15.04 H new ATOM 0 HA ALA A 50 15.635 -28.677 -17.862 1.00 15.21 H new ATOM 0 HB1 ALA A 50 14.895 -30.825 -16.891 1.00 15.15 H new ATOM 0 HB2 ALA A 50 16.030 -29.973 -15.816 1.00 15.15 H new ATOM 0 HB3 ALA A 50 14.287 -29.961 -15.459 1.00 15.15 H new ATOM 751 N SER A 51 13.350 -29.544 -18.743 1.00 24.24 N ATOM 752 CA SER A 51 12.108 -29.673 -19.490 1.00 52.43 C ATOM 753 C SER A 51 10.921 -29.951 -18.567 1.00 62.51 C ATOM 754 O SER A 51 11.055 -30.620 -17.536 1.00 55.12 O ATOM 755 CB SER A 51 12.251 -30.796 -20.522 1.00 22.31 C ATOM 756 OG SER A 51 13.397 -30.592 -21.334 1.00 22.35 O ATOM 0 H SER A 51 14.082 -30.187 -19.045 1.00 24.24 H new ATOM 0 HA SER A 51 11.913 -28.728 -19.997 1.00 52.43 H new ATOM 0 HB2 SER A 51 12.327 -31.757 -20.012 1.00 22.31 H new ATOM 0 HB3 SER A 51 11.359 -30.837 -21.147 1.00 22.31 H new ATOM 0 HG SER A 51 13.471 -31.321 -21.985 1.00 22.35 H new ATOM 762 N ARG A 52 9.764 -29.445 -18.977 1.00 22.34 N ATOM 763 CA ARG A 52 8.513 -29.575 -18.237 1.00 33.32 C ATOM 764 C ARG A 52 8.280 -31.013 -17.770 1.00 54.14 C ATOM 765 O ARG A 52 8.007 -31.249 -16.598 1.00 52.31 O ATOM 766 CB ARG A 52 7.366 -29.119 -19.154 1.00 3.52 C ATOM 767 CG ARG A 52 5.960 -29.360 -18.613 1.00 42.23 C ATOM 768 CD ARG A 52 5.595 -28.402 -17.489 1.00 23.53 C ATOM 769 NE ARG A 52 4.194 -28.560 -17.096 1.00 22.00 N ATOM 770 CZ ARG A 52 3.273 -27.598 -17.174 1.00 21.21 C ATOM 771 NH1 ARG A 52 3.600 -26.388 -17.613 1.00 61.40 N ATOM 772 NH2 ARG A 52 2.019 -27.856 -16.823 1.00 1.50 N ATOM 0 H ARG A 52 9.666 -28.924 -19.848 1.00 22.34 H new ATOM 0 HA ARG A 52 8.559 -28.954 -17.343 1.00 33.32 H new ATOM 0 HB2 ARG A 52 7.483 -28.053 -19.352 1.00 3.52 H new ATOM 0 HB3 ARG A 52 7.462 -29.633 -20.110 1.00 3.52 H new ATOM 0 HG2 ARG A 52 5.239 -29.255 -19.424 1.00 42.23 H new ATOM 0 HG3 ARG A 52 5.885 -30.385 -18.251 1.00 42.23 H new ATOM 0 HD2 ARG A 52 6.240 -28.583 -16.629 1.00 23.53 H new ATOM 0 HD3 ARG A 52 5.772 -27.376 -17.810 1.00 23.53 H new ATOM 0 HE ARG A 52 3.901 -29.469 -16.737 1.00 22.00 H new ATOM 0 HH11 ARG A 52 4.560 -26.189 -17.893 1.00 61.40 H new ATOM 0 HH12 ARG A 52 2.891 -25.657 -17.670 1.00 61.40 H new ATOM 0 HH21 ARG A 52 1.762 -28.787 -16.495 1.00 1.50 H new ATOM 0 HH22 ARG A 52 1.312 -27.123 -16.881 1.00 1.50 H new ATOM 786 N ALA A 53 8.405 -31.967 -18.692 1.00 30.50 N ATOM 787 CA ALA A 53 8.124 -33.373 -18.392 1.00 22.15 C ATOM 788 C ALA A 53 8.975 -33.893 -17.230 1.00 62.54 C ATOM 789 O ALA A 53 8.468 -34.586 -16.347 1.00 54.12 O ATOM 790 CB ALA A 53 8.336 -34.228 -19.639 1.00 32.44 C ATOM 0 H ALA A 53 8.699 -31.793 -19.653 1.00 30.50 H new ATOM 0 HA ALA A 53 7.081 -33.444 -18.083 1.00 22.15 H new ATOM 0 HB1 ALA A 53 8.124 -35.271 -19.405 1.00 32.44 H new ATOM 0 HB2 ALA A 53 7.666 -33.890 -20.430 1.00 32.44 H new ATOM 0 HB3 ALA A 53 9.369 -34.133 -19.974 1.00 32.44 H new ATOM 796 N SER A 54 10.261 -33.553 -17.232 1.00 73.43 N ATOM 797 CA SER A 54 11.172 -33.977 -16.170 1.00 14.52 C ATOM 798 C SER A 54 10.723 -33.400 -14.828 1.00 44.42 C ATOM 799 O SER A 54 10.547 -34.128 -13.837 1.00 24.13 O ATOM 800 CB SER A 54 12.599 -33.517 -16.492 1.00 35.32 C ATOM 801 OG SER A 54 12.993 -33.954 -17.780 1.00 32.13 O ATOM 0 H SER A 54 10.697 -32.984 -17.958 1.00 73.43 H new ATOM 0 HA SER A 54 11.157 -35.065 -16.105 1.00 14.52 H new ATOM 0 HB2 SER A 54 12.655 -32.430 -16.440 1.00 35.32 H new ATOM 0 HB3 SER A 54 13.289 -33.908 -15.744 1.00 35.32 H new ATOM 0 HG SER A 54 13.905 -33.648 -17.964 1.00 32.13 H new ATOM 807 N CYS A 55 10.513 -32.088 -14.817 1.00 64.42 N ATOM 808 CA CYS A 55 10.088 -31.379 -13.622 1.00 0.12 C ATOM 809 C CYS A 55 8.785 -31.972 -13.086 1.00 61.34 C ATOM 810 O CYS A 55 8.657 -32.225 -11.893 1.00 2.11 O ATOM 811 CB CYS A 55 9.908 -29.894 -13.946 1.00 24.25 C ATOM 812 SG CYS A 55 11.297 -29.172 -14.848 1.00 34.22 S ATOM 0 H CYS A 55 10.633 -31.490 -15.635 1.00 64.42 H new ATOM 0 HA CYS A 55 10.852 -31.485 -12.852 1.00 0.12 H new ATOM 0 HB2 CYS A 55 8.999 -29.767 -14.535 1.00 24.25 H new ATOM 0 HB3 CYS A 55 9.765 -29.343 -13.016 1.00 24.25 H new ATOM 0 HG CYS A 55 11.365 -29.699 -16.034 1.00 34.22 H new ATOM 818 N VAL A 56 7.832 -32.218 -13.984 1.00 30.54 N ATOM 819 CA VAL A 56 6.534 -32.769 -13.604 1.00 40.14 C ATOM 820 C VAL A 56 6.689 -34.169 -13.016 1.00 14.44 C ATOM 821 O VAL A 56 6.046 -34.504 -12.023 1.00 25.45 O ATOM 822 CB VAL A 56 5.558 -32.815 -14.808 1.00 40.34 C ATOM 823 CG1 VAL A 56 4.256 -33.525 -14.436 1.00 63.11 C ATOM 824 CG2 VAL A 56 5.268 -31.404 -15.307 1.00 22.04 C ATOM 0 H VAL A 56 7.936 -32.043 -14.983 1.00 30.54 H new ATOM 0 HA VAL A 56 6.114 -32.107 -12.847 1.00 40.14 H new ATOM 0 HB VAL A 56 6.034 -33.382 -15.608 1.00 40.34 H new ATOM 0 HG11 VAL A 56 3.591 -33.542 -15.300 1.00 63.11 H new ATOM 0 HG12 VAL A 56 4.475 -34.547 -14.126 1.00 63.11 H new ATOM 0 HG13 VAL A 56 3.773 -32.993 -13.617 1.00 63.11 H new ATOM 0 HG21 VAL A 56 4.582 -31.451 -16.152 1.00 22.04 H new ATOM 0 HG22 VAL A 56 4.817 -30.820 -14.505 1.00 22.04 H new ATOM 0 HG23 VAL A 56 6.198 -30.931 -15.621 1.00 22.04 H new ATOM 834 N GLU A 57 7.553 -34.973 -13.629 1.00 20.53 N ATOM 835 CA GLU A 57 7.795 -36.341 -13.173 1.00 63.13 C ATOM 836 C GLU A 57 8.350 -36.342 -11.755 1.00 50.11 C ATOM 837 O GLU A 57 7.935 -37.147 -10.915 1.00 23.30 O ATOM 838 CB GLU A 57 8.759 -37.063 -14.126 1.00 41.24 C ATOM 839 CG GLU A 57 9.023 -38.520 -13.754 1.00 22.23 C ATOM 840 CD GLU A 57 9.946 -39.221 -14.738 1.00 72.21 C ATOM 841 OE1 GLU A 57 9.460 -39.671 -15.796 1.00 62.23 O ATOM 842 OE2 GLU A 57 11.158 -39.330 -14.459 1.00 2.33 O ATOM 0 H GLU A 57 8.100 -34.701 -14.446 1.00 20.53 H new ATOM 0 HA GLU A 57 6.845 -36.875 -13.172 1.00 63.13 H new ATOM 0 HB2 GLU A 57 8.352 -37.025 -15.136 1.00 41.24 H new ATOM 0 HB3 GLU A 57 9.707 -36.525 -14.144 1.00 41.24 H new ATOM 0 HG2 GLU A 57 9.463 -38.562 -12.757 1.00 22.23 H new ATOM 0 HG3 GLU A 57 8.075 -39.056 -13.707 1.00 22.23 H new ATOM 849 N TYR A 58 9.283 -35.437 -11.480 1.00 31.40 N ATOM 850 CA TYR A 58 9.835 -35.334 -10.134 1.00 21.01 C ATOM 851 C TYR A 58 8.793 -34.763 -9.164 1.00 34.14 C ATOM 852 O TYR A 58 8.620 -35.270 -8.054 1.00 14.54 O ATOM 853 CB TYR A 58 11.108 -34.482 -10.117 1.00 21.12 C ATOM 854 CG TYR A 58 11.733 -34.392 -8.736 1.00 75.13 C ATOM 855 CD1 TYR A 58 12.566 -35.397 -8.250 1.00 72.45 C ATOM 856 CD2 TYR A 58 11.468 -33.312 -7.912 1.00 60.21 C ATOM 857 CE1 TYR A 58 13.115 -35.319 -6.983 1.00 61.43 C ATOM 858 CE2 TYR A 58 12.007 -33.229 -6.646 1.00 50.22 C ATOM 859 CZ TYR A 58 12.831 -34.232 -6.185 1.00 32.20 C ATOM 860 OH TYR A 58 13.359 -34.146 -4.916 1.00 3.54 O ATOM 0 H TYR A 58 9.667 -34.776 -12.156 1.00 31.40 H new ATOM 0 HA TYR A 58 10.101 -36.339 -9.807 1.00 21.01 H new ATOM 0 HB2 TYR A 58 11.833 -34.905 -10.813 1.00 21.12 H new ATOM 0 HB3 TYR A 58 10.874 -33.478 -10.472 1.00 21.12 H new ATOM 0 HD1 TYR A 58 12.787 -36.251 -8.873 1.00 72.45 H new ATOM 0 HD2 TYR A 58 10.827 -32.519 -8.268 1.00 60.21 H new ATOM 0 HE1 TYR A 58 13.762 -36.105 -6.621 1.00 61.43 H new ATOM 0 HE2 TYR A 58 11.784 -32.380 -6.017 1.00 50.22 H new ATOM 0 HH TYR A 58 12.711 -33.715 -4.321 1.00 3.54 H new ATOM 870 N VAL A 59 8.103 -33.704 -9.585 1.00 73.44 N ATOM 871 CA VAL A 59 7.045 -33.097 -8.775 1.00 43.10 C ATOM 872 C VAL A 59 5.942 -34.114 -8.458 1.00 65.21 C ATOM 873 O VAL A 59 5.338 -34.064 -7.389 1.00 73.20 O ATOM 874 CB VAL A 59 6.427 -31.849 -9.469 1.00 52.21 C ATOM 875 CG1 VAL A 59 5.190 -31.348 -8.715 1.00 2.35 C ATOM 876 CG2 VAL A 59 7.469 -30.734 -9.583 1.00 61.22 C ATOM 0 H VAL A 59 8.257 -33.247 -10.484 1.00 73.44 H new ATOM 0 HA VAL A 59 7.508 -32.773 -7.843 1.00 43.10 H new ATOM 0 HB VAL A 59 6.113 -32.143 -10.470 1.00 52.21 H new ATOM 0 HG11 VAL A 59 4.782 -30.475 -9.225 1.00 2.35 H new ATOM 0 HG12 VAL A 59 4.438 -32.136 -8.686 1.00 2.35 H new ATOM 0 HG13 VAL A 59 5.470 -31.076 -7.697 1.00 2.35 H new ATOM 0 HG21 VAL A 59 7.023 -29.867 -10.070 1.00 61.22 H new ATOM 0 HG22 VAL A 59 7.812 -30.454 -8.587 1.00 61.22 H new ATOM 0 HG23 VAL A 59 8.315 -31.086 -10.173 1.00 61.22 H new ATOM 886 N ASP A 60 5.691 -35.037 -9.383 1.00 75.12 N ATOM 887 CA ASP A 60 4.685 -36.093 -9.183 1.00 61.12 C ATOM 888 C ASP A 60 4.984 -36.884 -7.911 1.00 13.10 C ATOM 889 O ASP A 60 4.079 -37.312 -7.194 1.00 12.42 O ATOM 890 CB ASP A 60 4.649 -37.036 -10.396 1.00 0.13 C ATOM 891 CG ASP A 60 3.735 -38.238 -10.190 1.00 0.51 C ATOM 892 OD1 ASP A 60 2.528 -38.040 -9.944 1.00 71.44 O ATOM 893 OD2 ASP A 60 4.222 -39.390 -10.274 1.00 73.32 O ATOM 0 H ASP A 60 6.169 -35.080 -10.283 1.00 75.12 H new ATOM 0 HA ASP A 60 3.708 -35.620 -9.078 1.00 61.12 H new ATOM 0 HB2 ASP A 60 4.316 -36.479 -11.272 1.00 0.13 H new ATOM 0 HB3 ASP A 60 5.659 -37.387 -10.606 1.00 0.13 H new ATOM 898 N GLN A 61 6.270 -37.032 -7.628 1.00 23.32 N ATOM 899 CA GLN A 61 6.752 -37.750 -6.443 1.00 62.44 C ATOM 900 C GLN A 61 6.371 -37.033 -5.134 1.00 1.45 C ATOM 901 O GLN A 61 6.675 -37.519 -4.045 1.00 71.45 O ATOM 902 CB GLN A 61 8.272 -37.931 -6.522 1.00 35.42 C ATOM 903 CG GLN A 61 8.740 -38.628 -7.796 1.00 44.34 C ATOM 904 CD GLN A 61 10.252 -38.728 -7.899 1.00 0.31 C ATOM 905 OE1 GLN A 61 10.983 -37.890 -7.373 1.00 50.34 O ATOM 906 NE2 GLN A 61 10.732 -39.749 -8.590 1.00 74.24 N ATOM 0 H GLN A 61 7.017 -36.658 -8.213 1.00 23.32 H new ATOM 0 HA GLN A 61 6.267 -38.726 -6.432 1.00 62.44 H new ATOM 0 HB2 GLN A 61 8.750 -36.953 -6.457 1.00 35.42 H new ATOM 0 HB3 GLN A 61 8.606 -38.507 -5.659 1.00 35.42 H new ATOM 0 HG2 GLN A 61 8.312 -39.630 -7.833 1.00 44.34 H new ATOM 0 HG3 GLN A 61 8.358 -38.086 -8.661 1.00 44.34 H new ATOM 0 HE21 GLN A 61 10.094 -40.424 -9.012 1.00 74.24 H new ATOM 0 HE22 GLN A 61 11.740 -39.861 -8.701 1.00 74.24 H new ATOM 915 N HIS A 62 5.712 -35.871 -5.237 1.00 24.43 N ATOM 916 CA HIS A 62 5.334 -35.081 -4.054 1.00 12.13 C ATOM 917 C HIS A 62 4.326 -35.818 -3.167 1.00 73.21 C ATOM 918 O HIS A 62 3.910 -35.296 -2.132 1.00 73.04 O ATOM 919 CB HIS A 62 4.761 -33.709 -4.462 1.00 15.25 C ATOM 920 CG HIS A 62 3.328 -33.732 -4.929 1.00 73.13 C ATOM 921 ND1 HIS A 62 2.961 -33.949 -6.241 1.00 73.44 N ATOM 922 CD2 HIS A 62 2.167 -33.538 -4.250 1.00 44.25 C ATOM 923 CE1 HIS A 62 1.648 -33.886 -6.349 1.00 2.04 C ATOM 924 NE2 HIS A 62 1.142 -33.638 -5.159 1.00 65.22 N ATOM 0 H HIS A 62 5.429 -35.456 -6.125 1.00 24.43 H new ATOM 0 HA HIS A 62 6.246 -34.930 -3.477 1.00 12.13 H new ATOM 0 HB2 HIS A 62 4.840 -33.032 -3.612 1.00 15.25 H new ATOM 0 HB3 HIS A 62 5.380 -33.295 -5.258 1.00 15.25 H new ATOM 0 HD1 HIS A 62 3.606 -34.130 -7.010 1.00 73.44 H new ATOM 0 HD2 HIS A 62 2.069 -33.342 -3.193 1.00 44.25 H new ATOM 0 HE1 HIS A 62 1.083 -34.016 -7.260 1.00 2.04 H new ATOM 933 N TRP A 63 3.919 -37.016 -3.580 1.00 60.44 N ATOM 934 CA TRP A 63 3.010 -37.841 -2.786 1.00 71.34 C ATOM 935 C TRP A 63 3.804 -38.643 -1.744 1.00 41.12 C ATOM 936 O TRP A 63 3.288 -39.573 -1.119 1.00 70.10 O ATOM 937 CB TRP A 63 2.207 -38.773 -3.709 1.00 63.22 C ATOM 938 CG TRP A 63 1.063 -39.470 -3.026 1.00 41.44 C ATOM 939 CD1 TRP A 63 0.150 -38.909 -2.177 1.00 1.51 C ATOM 940 CD2 TRP A 63 0.699 -40.853 -3.147 1.00 15.33 C ATOM 941 NE1 TRP A 63 -0.748 -39.857 -1.754 1.00 61.23 N ATOM 942 CE2 TRP A 63 -0.432 -41.058 -2.333 1.00 5.13 C ATOM 943 CE3 TRP A 63 1.224 -41.938 -3.856 1.00 13.11 C ATOM 944 CZ2 TRP A 63 -1.050 -42.300 -2.213 1.00 75.22 C ATOM 945 CZ3 TRP A 63 0.609 -43.171 -3.737 1.00 11.13 C ATOM 946 CH2 TRP A 63 -0.516 -43.344 -2.919 1.00 44.21 C ATOM 0 H TRP A 63 4.205 -37.439 -4.463 1.00 60.44 H new ATOM 0 HA TRP A 63 2.307 -37.198 -2.256 1.00 71.34 H new ATOM 0 HB2 TRP A 63 1.818 -38.193 -4.546 1.00 63.22 H new ATOM 0 HB3 TRP A 63 2.879 -39.523 -4.126 1.00 63.22 H new ATOM 0 HD1 TRP A 63 0.137 -37.870 -1.882 1.00 1.51 H new ATOM 0 HE1 TRP A 63 -1.524 -39.694 -1.113 1.00 61.23 H new ATOM 0 HE3 TRP A 63 2.093 -41.815 -4.485 1.00 13.11 H new ATOM 0 HZ2 TRP A 63 -1.919 -42.435 -1.586 1.00 75.22 H new ATOM 0 HZ3 TRP A 63 1.002 -44.015 -4.284 1.00 11.13 H new ATOM 0 HH2 TRP A 63 -0.971 -44.321 -2.844 1.00 44.21 H new ATOM 957 N THR A 64 5.073 -38.277 -1.577 1.00 15.20 N ATOM 958 CA THR A 64 5.926 -38.859 -0.549 1.00 15.11 C ATOM 959 C THR A 64 5.561 -38.311 0.841 1.00 62.45 C ATOM 960 O THR A 64 4.567 -37.593 0.992 1.00 30.34 O ATOM 961 CB THR A 64 7.417 -38.581 -0.870 1.00 50.23 C ATOM 962 OG1 THR A 64 7.564 -37.244 -1.374 1.00 30.31 O ATOM 963 CG2 THR A 64 7.958 -39.577 -1.897 1.00 51.44 C ATOM 0 H THR A 64 5.536 -37.571 -2.150 1.00 15.20 H new ATOM 0 HA THR A 64 5.766 -39.937 -0.539 1.00 15.11 H new ATOM 0 HB THR A 64 7.988 -38.694 0.051 1.00 50.23 H new ATOM 0 HG1 THR A 64 7.405 -37.240 -2.341 1.00 30.31 H new ATOM 0 HG21 THR A 64 9.006 -39.356 -2.101 1.00 51.44 H new ATOM 0 HG22 THR A 64 7.871 -40.589 -1.503 1.00 51.44 H new ATOM 0 HG23 THR A 64 7.384 -39.496 -2.820 1.00 51.44 H new ATOM 971 N ASP A 65 6.357 -38.660 1.850 1.00 40.42 N ATOM 972 CA ASP A 65 6.069 -38.278 3.234 1.00 24.01 C ATOM 973 C ASP A 65 6.183 -36.769 3.436 1.00 55.12 C ATOM 974 O ASP A 65 7.279 -36.242 3.651 1.00 53.31 O ATOM 975 CB ASP A 65 7.011 -39.002 4.210 1.00 53.54 C ATOM 976 CG ASP A 65 6.798 -40.506 4.225 1.00 25.00 C ATOM 977 OD1 ASP A 65 5.929 -40.981 4.989 1.00 73.45 O ATOM 978 OD2 ASP A 65 7.499 -41.217 3.473 1.00 23.21 O ATOM 0 H ASP A 65 7.209 -39.208 1.736 1.00 40.42 H new ATOM 0 HA ASP A 65 5.041 -38.576 3.441 1.00 24.01 H new ATOM 0 HB2 ASP A 65 8.044 -38.788 3.937 1.00 53.54 H new ATOM 0 HB3 ASP A 65 6.859 -38.608 5.215 1.00 53.54 H new ATOM 983 N ILE A 66 5.050 -36.077 3.355 1.00 10.53 N ATOM 984 CA ILE A 66 4.997 -34.653 3.650 1.00 43.50 C ATOM 985 C ILE A 66 5.123 -34.451 5.162 1.00 44.02 C ATOM 986 O ILE A 66 4.196 -34.748 5.917 1.00 1.50 O ATOM 987 CB ILE A 66 3.686 -34.008 3.131 1.00 55.33 C ATOM 988 CG1 ILE A 66 3.548 -34.239 1.616 1.00 3.24 C ATOM 989 CG2 ILE A 66 3.655 -32.515 3.453 1.00 4.12 C ATOM 990 CD1 ILE A 66 2.273 -33.681 1.016 1.00 50.03 C ATOM 0 H ILE A 66 4.154 -36.484 3.086 1.00 10.53 H new ATOM 0 HA ILE A 66 5.825 -34.163 3.137 1.00 43.50 H new ATOM 0 HB ILE A 66 2.842 -34.480 3.635 1.00 55.33 H new ATOM 0 HG12 ILE A 66 4.402 -33.787 1.112 1.00 3.24 H new ATOM 0 HG13 ILE A 66 3.591 -35.310 1.418 1.00 3.24 H new ATOM 0 HG21 ILE A 66 2.727 -32.082 3.080 1.00 4.12 H new ATOM 0 HG22 ILE A 66 3.713 -32.374 4.532 1.00 4.12 H new ATOM 0 HG23 ILE A 66 4.503 -32.022 2.976 1.00 4.12 H new ATOM 0 HD11 ILE A 66 2.254 -33.886 -0.054 1.00 50.03 H new ATOM 0 HD12 ILE A 66 1.412 -34.151 1.491 1.00 50.03 H new ATOM 0 HD13 ILE A 66 2.235 -32.604 1.180 1.00 50.03 H new ATOM 1002 N ARG A 67 6.286 -33.960 5.584 1.00 43.45 N ATOM 1003 CA ARG A 67 6.641 -33.859 7.003 1.00 13.13 C ATOM 1004 C ARG A 67 5.594 -33.058 7.811 1.00 1.21 C ATOM 1005 O ARG A 67 5.072 -33.559 8.807 1.00 12.22 O ATOM 1006 CB ARG A 67 8.052 -33.240 7.138 1.00 43.33 C ATOM 1007 CG ARG A 67 8.842 -33.663 8.380 1.00 74.24 C ATOM 1008 CD ARG A 67 8.261 -33.120 9.682 1.00 40.03 C ATOM 1009 NE ARG A 67 9.171 -33.341 10.810 1.00 51.24 N ATOM 1010 CZ ARG A 67 8.895 -33.024 12.076 1.00 52.53 C ATOM 1011 NH1 ARG A 67 7.711 -32.531 12.404 1.00 23.02 N ATOM 1012 NH2 ARG A 67 9.807 -33.216 13.021 1.00 54.53 N ATOM 0 H ARG A 67 7.012 -33.620 4.953 1.00 43.45 H new ATOM 0 HA ARG A 67 6.649 -34.863 7.426 1.00 13.13 H new ATOM 0 HB2 ARG A 67 8.631 -33.504 6.253 1.00 43.33 H new ATOM 0 HB3 ARG A 67 7.954 -32.154 7.143 1.00 43.33 H new ATOM 0 HG2 ARG A 67 8.871 -34.751 8.430 1.00 74.24 H new ATOM 0 HG3 ARG A 67 9.872 -33.321 8.280 1.00 74.24 H new ATOM 0 HD2 ARG A 67 8.063 -32.053 9.576 1.00 40.03 H new ATOM 0 HD3 ARG A 67 7.305 -33.603 9.884 1.00 40.03 H new ATOM 0 HE ARG A 67 10.077 -33.766 10.613 1.00 51.24 H new ATOM 0 HH11 ARG A 67 7.000 -32.391 11.686 1.00 23.02 H new ATOM 0 HH12 ARG A 67 7.509 -32.292 13.375 1.00 23.02 H new ATOM 0 HH21 ARG A 67 10.718 -33.606 12.779 1.00 54.53 H new ATOM 0 HH22 ARG A 67 9.597 -32.974 13.989 1.00 54.53 H new ATOM 1026 N PRO A 68 5.266 -31.807 7.408 1.00 23.24 N ATOM 1027 CA PRO A 68 4.328 -30.969 8.167 1.00 52.12 C ATOM 1028 C PRO A 68 2.869 -31.430 8.029 1.00 32.14 C ATOM 1029 O PRO A 68 2.393 -32.243 8.822 1.00 54.14 O ATOM 1030 CB PRO A 68 4.540 -29.575 7.566 1.00 22.20 C ATOM 1031 CG PRO A 68 4.957 -29.845 6.159 1.00 33.01 C ATOM 1032 CD PRO A 68 5.779 -31.106 6.213 1.00 50.32 C ATOM 0 HA PRO A 68 4.514 -31.011 9.240 1.00 52.12 H new ATOM 0 HB2 PRO A 68 3.627 -28.981 7.604 1.00 22.20 H new ATOM 0 HB3 PRO A 68 5.304 -29.019 8.109 1.00 22.20 H new ATOM 0 HG2 PRO A 68 4.090 -29.970 5.511 1.00 33.01 H new ATOM 0 HG3 PRO A 68 5.538 -29.015 5.757 1.00 33.01 H new ATOM 0 HD2 PRO A 68 5.652 -31.706 5.312 1.00 50.32 H new ATOM 0 HD3 PRO A 68 6.843 -30.887 6.303 1.00 50.32 H new ATOM 1040 N LYS A 69 2.167 -30.919 7.016 1.00 33.43 N ATOM 1041 CA LYS A 69 0.765 -31.254 6.789 1.00 33.10 C ATOM 1042 C LYS A 69 0.573 -31.672 5.338 1.00 23.31 C ATOM 1043 O LYS A 69 1.051 -30.992 4.430 1.00 52.50 O ATOM 1044 CB LYS A 69 -0.138 -30.044 7.093 1.00 52.20 C ATOM 1045 CG LYS A 69 0.041 -29.451 8.490 1.00 34.14 C ATOM 1046 CD LYS A 69 -0.303 -30.444 9.598 1.00 43.14 C ATOM 1047 CE LYS A 69 -1.779 -30.829 9.595 1.00 61.40 C ATOM 1048 NZ LYS A 69 -2.114 -31.737 10.725 1.00 11.42 N ATOM 0 H LYS A 69 2.554 -30.265 6.335 1.00 33.43 H new ATOM 0 HA LYS A 69 0.490 -32.073 7.453 1.00 33.10 H new ATOM 0 HB2 LYS A 69 0.058 -29.266 6.355 1.00 52.20 H new ATOM 0 HB3 LYS A 69 -1.179 -30.344 6.971 1.00 52.20 H new ATOM 0 HG2 LYS A 69 1.073 -29.120 8.611 1.00 34.14 H new ATOM 0 HG3 LYS A 69 -0.590 -28.568 8.590 1.00 34.14 H new ATOM 0 HD2 LYS A 69 0.304 -31.341 9.479 1.00 43.14 H new ATOM 0 HD3 LYS A 69 -0.045 -30.010 10.564 1.00 43.14 H new ATOM 0 HE2 LYS A 69 -2.390 -29.929 9.659 1.00 61.40 H new ATOM 0 HE3 LYS A 69 -2.026 -31.316 8.652 1.00 61.40 H new ATOM 0 HZ1 LYS A 69 -3.125 -31.977 10.690 1.00 11.42 H new ATOM 0 HZ2 LYS A 69 -1.549 -32.607 10.650 1.00 11.42 H new ATOM 0 HZ3 LYS A 69 -1.902 -31.263 11.626 1.00 11.42 H new ATOM 1062 N SER A 70 -0.106 -32.793 5.119 1.00 2.31 N ATOM 1063 CA SER A 70 -0.412 -33.245 3.769 1.00 33.04 C ATOM 1064 C SER A 70 -1.248 -32.182 3.048 1.00 22.05 C ATOM 1065 O SER A 70 -2.138 -31.567 3.645 1.00 32.33 O ATOM 1066 CB SER A 70 -1.146 -34.592 3.812 1.00 21.44 C ATOM 1067 OG SER A 70 -1.223 -35.183 2.523 1.00 12.21 O ATOM 0 H SER A 70 -0.454 -33.404 5.858 1.00 2.31 H new ATOM 0 HA SER A 70 0.516 -33.389 3.216 1.00 33.04 H new ATOM 0 HB2 SER A 70 -0.629 -35.268 4.493 1.00 21.44 H new ATOM 0 HB3 SER A 70 -2.151 -34.448 4.208 1.00 21.44 H new ATOM 0 HG SER A 70 -1.694 -36.040 2.584 1.00 12.21 H new ATOM 1073 N LEU A 71 -0.964 -31.975 1.766 1.00 31.13 N ATOM 1074 CA LEU A 71 -1.571 -30.889 0.996 1.00 15.23 C ATOM 1075 C LEU A 71 -2.982 -31.271 0.517 1.00 23.01 C ATOM 1076 O LEU A 71 -3.352 -31.035 -0.635 1.00 0.43 O ATOM 1077 CB LEU A 71 -0.662 -30.534 -0.197 1.00 13.44 C ATOM 1078 CG LEU A 71 -1.012 -29.231 -0.942 1.00 41.44 C ATOM 1079 CD1 LEU A 71 -0.847 -28.018 -0.029 1.00 51.23 C ATOM 1080 CD2 LEU A 71 -0.157 -29.081 -2.198 1.00 31.11 C ATOM 0 H LEU A 71 -0.312 -32.550 1.232 1.00 31.13 H new ATOM 0 HA LEU A 71 -1.671 -30.015 1.639 1.00 15.23 H new ATOM 0 HB2 LEU A 71 0.365 -30.461 0.162 1.00 13.44 H new ATOM 0 HB3 LEU A 71 -0.692 -31.358 -0.910 1.00 13.44 H new ATOM 0 HG LEU A 71 -2.058 -29.286 -1.244 1.00 41.44 H new ATOM 0 HD11 LEU A 71 -1.100 -27.112 -0.579 1.00 51.23 H new ATOM 0 HD12 LEU A 71 -1.509 -28.117 0.831 1.00 51.23 H new ATOM 0 HD13 LEU A 71 0.186 -27.958 0.313 1.00 51.23 H new ATOM 0 HD21 LEU A 71 -0.420 -28.155 -2.709 1.00 31.11 H new ATOM 0 HD22 LEU A 71 0.897 -29.055 -1.920 1.00 31.11 H new ATOM 0 HD23 LEU A 71 -0.336 -29.926 -2.863 1.00 31.11 H new ATOM 1092 N ARG A 72 -3.780 -31.833 1.425 1.00 14.22 N ATOM 1093 CA ARG A 72 -5.144 -32.255 1.104 1.00 4.30 C ATOM 1094 C ARG A 72 -6.051 -31.048 0.857 1.00 30.11 C ATOM 1095 O ARG A 72 -7.178 -31.196 0.387 1.00 10.34 O ATOM 1096 CB ARG A 72 -5.707 -33.158 2.224 1.00 53.44 C ATOM 1097 CG ARG A 72 -5.736 -32.535 3.630 1.00 5.31 C ATOM 1098 CD ARG A 72 -6.891 -31.551 3.822 1.00 1.01 C ATOM 1099 NE ARG A 72 -8.189 -32.158 3.509 1.00 45.33 N ATOM 1100 CZ ARG A 72 -9.332 -31.475 3.400 1.00 12.43 C ATOM 1101 NH1 ARG A 72 -9.358 -30.159 3.593 1.00 54.12 N ATOM 1102 NH2 ARG A 72 -10.456 -32.110 3.098 1.00 3.22 N ATOM 0 H ARG A 72 -3.504 -32.007 2.392 1.00 14.22 H new ATOM 0 HA ARG A 72 -5.114 -32.835 0.182 1.00 4.30 H new ATOM 0 HB2 ARG A 72 -6.722 -33.450 1.955 1.00 53.44 H new ATOM 0 HB3 ARG A 72 -5.113 -34.071 2.263 1.00 53.44 H new ATOM 0 HG2 ARG A 72 -5.815 -33.329 4.372 1.00 5.31 H new ATOM 0 HG3 ARG A 72 -4.793 -32.020 3.813 1.00 5.31 H new ATOM 0 HD2 ARG A 72 -6.896 -31.195 4.852 1.00 1.01 H new ATOM 0 HD3 ARG A 72 -6.735 -30.680 3.185 1.00 1.01 H new ATOM 0 HE ARG A 72 -8.221 -33.167 3.365 1.00 45.33 H new ATOM 0 HH11 ARG A 72 -8.499 -29.661 3.827 1.00 54.12 H new ATOM 0 HH12 ARG A 72 -10.237 -29.648 3.507 1.00 54.12 H new ATOM 0 HH21 ARG A 72 -10.448 -33.119 2.949 1.00 3.22 H new ATOM 0 HH22 ARG A 72 -11.329 -31.589 3.015 1.00 3.22 H new ATOM 1116 N GLU A 73 -5.548 -29.858 1.187 1.00 64.25 N ATOM 1117 CA GLU A 73 -6.296 -28.617 1.000 1.00 44.44 C ATOM 1118 C GLU A 73 -6.400 -28.262 -0.483 1.00 24.34 C ATOM 1119 O GLU A 73 -7.271 -27.489 -0.886 1.00 70.21 O ATOM 1120 CB GLU A 73 -5.620 -27.470 1.763 1.00 2.40 C ATOM 1121 CG GLU A 73 -4.184 -27.203 1.323 1.00 2.13 C ATOM 1122 CD GLU A 73 -3.575 -25.990 2.005 1.00 51.34 C ATOM 1123 OE1 GLU A 73 -2.969 -26.147 3.084 1.00 3.40 O ATOM 1124 OE2 GLU A 73 -3.700 -24.871 1.464 1.00 61.01 O ATOM 0 H GLU A 73 -4.619 -29.729 1.588 1.00 64.25 H new ATOM 0 HA GLU A 73 -7.302 -28.765 1.392 1.00 44.44 H new ATOM 0 HB2 GLU A 73 -6.207 -26.561 1.629 1.00 2.40 H new ATOM 0 HB3 GLU A 73 -5.627 -27.700 2.828 1.00 2.40 H new ATOM 0 HG2 GLU A 73 -3.574 -28.080 1.539 1.00 2.13 H new ATOM 0 HG3 GLU A 73 -4.161 -27.057 0.243 1.00 2.13 H new ATOM 1131 N LYS A 74 -5.505 -28.826 -1.293 1.00 70.24 N ATOM 1132 CA LYS A 74 -5.488 -28.542 -2.720 1.00 22.11 C ATOM 1133 C LYS A 74 -6.604 -29.307 -3.428 1.00 62.44 C ATOM 1134 O LYS A 74 -6.442 -30.472 -3.807 1.00 64.25 O ATOM 1135 CB LYS A 74 -4.116 -28.878 -3.326 1.00 3.23 C ATOM 1136 CG LYS A 74 -4.014 -28.616 -4.832 1.00 3.54 C ATOM 1137 CD LYS A 74 -4.387 -27.177 -5.202 1.00 75.42 C ATOM 1138 CE LYS A 74 -3.431 -26.154 -4.593 1.00 24.23 C ATOM 1139 NZ LYS A 74 -2.041 -26.313 -5.100 1.00 24.03 N ATOM 0 H LYS A 74 -4.786 -29.480 -0.983 1.00 70.24 H new ATOM 0 HA LYS A 74 -5.663 -27.476 -2.863 1.00 22.11 H new ATOM 0 HB2 LYS A 74 -3.352 -28.293 -2.814 1.00 3.23 H new ATOM 0 HB3 LYS A 74 -3.894 -29.928 -3.135 1.00 3.23 H new ATOM 0 HG2 LYS A 74 -2.997 -28.822 -5.166 1.00 3.54 H new ATOM 0 HG3 LYS A 74 -4.669 -29.306 -5.363 1.00 3.54 H new ATOM 0 HD2 LYS A 74 -4.385 -27.071 -6.287 1.00 75.42 H new ATOM 0 HD3 LYS A 74 -5.402 -26.969 -4.863 1.00 75.42 H new ATOM 0 HE2 LYS A 74 -3.786 -25.148 -4.819 1.00 24.23 H new ATOM 0 HE3 LYS A 74 -3.434 -26.257 -3.508 1.00 24.23 H new ATOM 0 HZ1 LYS A 74 -1.445 -25.547 -4.726 1.00 24.03 H new ATOM 0 HZ2 LYS A 74 -1.661 -27.230 -4.790 1.00 24.03 H new ATOM 0 HZ3 LYS A 74 -2.044 -26.273 -6.139 1.00 24.03 H new ATOM 1153 N LEU A 75 -7.749 -28.650 -3.562 1.00 35.34 N ATOM 1154 CA LEU A 75 -8.880 -29.217 -4.279 1.00 23.12 C ATOM 1155 C LEU A 75 -8.632 -29.104 -5.776 1.00 31.02 C ATOM 1156 O LEU A 75 -8.198 -28.063 -6.274 1.00 35.24 O ATOM 1157 CB LEU A 75 -10.187 -28.505 -3.869 1.00 12.51 C ATOM 1158 CG LEU A 75 -11.513 -29.139 -4.359 1.00 13.42 C ATOM 1159 CD1 LEU A 75 -12.686 -28.642 -3.518 1.00 51.34 C ATOM 1160 CD2 LEU A 75 -11.770 -28.838 -5.838 1.00 72.41 C ATOM 0 H LEU A 75 -7.918 -27.719 -3.181 1.00 35.34 H new ATOM 0 HA LEU A 75 -8.987 -30.271 -4.023 1.00 23.12 H new ATOM 0 HB2 LEU A 75 -10.218 -28.452 -2.781 1.00 12.51 H new ATOM 0 HB3 LEU A 75 -10.145 -27.480 -4.237 1.00 12.51 H new ATOM 0 HG LEU A 75 -11.420 -30.219 -4.244 1.00 13.42 H new ATOM 0 HD11 LEU A 75 -13.609 -29.097 -3.876 1.00 51.34 H new ATOM 0 HD12 LEU A 75 -12.527 -28.915 -2.475 1.00 51.34 H new ATOM 0 HD13 LEU A 75 -12.760 -27.558 -3.602 1.00 51.34 H new ATOM 0 HD21 LEU A 75 -12.709 -29.299 -6.145 1.00 72.41 H new ATOM 0 HD22 LEU A 75 -11.830 -27.760 -5.985 1.00 72.41 H new ATOM 0 HD23 LEU A 75 -10.954 -29.241 -6.438 1.00 72.41 H new ATOM 1172 N ALA A 76 -8.895 -30.193 -6.471 1.00 23.23 N ATOM 1173 CA ALA A 76 -8.745 -30.261 -7.921 1.00 45.32 C ATOM 1174 C ALA A 76 -9.819 -31.175 -8.487 1.00 65.42 C ATOM 1175 O ALA A 76 -10.544 -30.814 -9.419 1.00 13.14 O ATOM 1176 CB ALA A 76 -7.350 -30.758 -8.293 1.00 72.54 C ATOM 0 H ALA A 76 -9.221 -31.063 -6.049 1.00 23.23 H new ATOM 0 HA ALA A 76 -8.863 -29.265 -8.348 1.00 45.32 H new ATOM 0 HB1 ALA A 76 -7.257 -30.802 -9.378 1.00 72.54 H new ATOM 0 HB2 ALA A 76 -6.601 -30.075 -7.892 1.00 72.54 H new ATOM 0 HB3 ALA A 76 -7.195 -31.752 -7.875 1.00 72.54 H new ATOM 1182 N SER A 77 -9.912 -32.364 -7.903 1.00 75.32 N ATOM 1183 CA SER A 77 -10.980 -33.301 -8.210 1.00 12.25 C ATOM 1184 C SER A 77 -11.992 -33.304 -7.064 1.00 32.34 C ATOM 1185 O SER A 77 -11.759 -33.921 -6.020 1.00 31.55 O ATOM 1186 CB SER A 77 -10.404 -34.707 -8.426 1.00 55.35 C ATOM 1187 OG SER A 77 -9.451 -34.711 -9.479 1.00 45.41 O ATOM 0 H SER A 77 -9.250 -32.703 -7.205 1.00 75.32 H new ATOM 0 HA SER A 77 -11.482 -32.995 -9.128 1.00 12.25 H new ATOM 0 HB2 SER A 77 -9.936 -35.057 -7.506 1.00 55.35 H new ATOM 0 HB3 SER A 77 -11.211 -35.402 -8.658 1.00 55.35 H new ATOM 0 HG SER A 77 -9.097 -35.617 -9.596 1.00 45.41 H new ATOM 1193 N GLY A 78 -13.084 -32.569 -7.239 1.00 44.34 N ATOM 1194 CA GLY A 78 -14.113 -32.501 -6.216 1.00 72.14 C ATOM 1195 C GLY A 78 -15.100 -33.640 -6.348 1.00 74.32 C ATOM 1196 O GLY A 78 -14.705 -34.811 -6.398 1.00 34.32 O ATOM 0 H GLY A 78 -13.276 -32.016 -8.074 1.00 44.34 H new ATOM 0 HA2 GLY A 78 -13.650 -32.531 -5.230 1.00 72.14 H new ATOM 0 HA3 GLY A 78 -14.640 -31.550 -6.291 1.00 72.14 H new ATOM 1200 N GLN A 79 -16.383 -33.305 -6.417 1.00 65.34 N ATOM 1201 CA GLN A 79 -17.421 -34.303 -6.622 1.00 64.55 C ATOM 1202 C GLN A 79 -17.515 -34.604 -8.119 1.00 10.44 C ATOM 1203 O GLN A 79 -18.329 -34.019 -8.838 1.00 4.52 O ATOM 1204 CB GLN A 79 -18.765 -33.796 -6.057 1.00 32.42 C ATOM 1205 CG GLN A 79 -19.767 -34.894 -5.696 1.00 42.23 C ATOM 1206 CD GLN A 79 -20.221 -35.713 -6.890 1.00 52.43 C ATOM 1207 OE1 GLN A 79 -21.190 -35.363 -7.564 1.00 31.31 O ATOM 1208 NE2 GLN A 79 -19.533 -36.815 -7.153 1.00 13.30 N ATOM 0 H GLN A 79 -16.728 -32.349 -6.334 1.00 65.34 H new ATOM 0 HA GLN A 79 -17.175 -35.223 -6.092 1.00 64.55 H new ATOM 0 HB2 GLN A 79 -18.566 -33.199 -5.167 1.00 32.42 H new ATOM 0 HB3 GLN A 79 -19.224 -33.133 -6.790 1.00 32.42 H new ATOM 0 HG2 GLN A 79 -19.316 -35.559 -4.959 1.00 42.23 H new ATOM 0 HG3 GLN A 79 -20.638 -34.440 -5.224 1.00 42.23 H new ATOM 0 HE21 GLN A 79 -18.736 -37.070 -6.570 1.00 13.30 H new ATOM 0 HE22 GLN A 79 -19.801 -37.408 -7.939 1.00 13.30 H new ATOM 1217 N GLY A 80 -16.634 -35.483 -8.584 1.00 4.32 N ATOM 1218 CA GLY A 80 -16.562 -35.798 -9.999 1.00 64.22 C ATOM 1219 C GLY A 80 -15.586 -34.886 -10.723 1.00 51.02 C ATOM 1220 O GLY A 80 -16.008 -33.824 -11.225 1.00 40.05 O ATOM 1221 OXT GLY A 80 -14.380 -35.209 -10.768 1.00 0.00 O ATOM 0 H GLY A 80 -15.964 -35.986 -8.002 1.00 4.32 H new ATOM 0 HA2 GLY A 80 -16.255 -36.836 -10.127 1.00 64.22 H new ATOM 0 HA3 GLY A 80 -17.552 -35.701 -10.445 1.00 64.22 H new TER 1225 GLY A 80