USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1006 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 85 MET CE :methyl 144:sc= -2.36 (180deg=-2.94!) USER MOD Set 1.2: A 112 MET CE :methyl 145:sc= -4.82! (180deg=-5.71!) USER MOD Set 2.1: A 39 THR OG1 : rot -120:sc= 0.635 USER MOD Set 2.2: A 43 GLN : amide:sc= -1.46! C(o=-0.82!,f=0.58!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.419 (180deg=0.415) USER MOD Single : A 2 HIS : no HD1:sc= -0.7 X(o=-0.7,f=-0.22) USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -6.65! C(o=-6.7!,f=-8.5!) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -0.0259 (180deg=-0.243) USER MOD Single : A 19 TYR OH : rot -162:sc= -3.79! USER MOD Single : A 21 TYR OH : rot 0:sc= -0.697 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.0103 K(o=0.01,f=-3.8!) USER MOD Single : A 47 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.0013) USER MOD Single : A 54 ASN : amide:sc= -2.2! C(o=-2.2!,f=-5.2!) USER MOD Single : A 57 SER OG : rot 148:sc= 1.34 USER MOD Single : A 58 ASN : amide:sc= -0.874! C(o=-0.87!,f=-11!) USER MOD Single : A 64 THR OG1 : rot 105:sc= 0.196 USER MOD Single : A 71 GLN : amide:sc= -2.64! K(o=-2.6!,f=-1.3) USER MOD Single : A 74 THR OG1 : rot 9:sc= 0.562 USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= 0.0571 (180deg=-0.00565) USER MOD Single : A 90 GLN : amide:sc= 0.639 K(o=0.64,f=-6.2!) USER MOD Single : A 95 SER OG : rot 100:sc= -0.0781 USER MOD Single : A 100 SER OG : rot 95:sc= 0.00246 USER MOD Single : A 104 LYS NZ :NH3+ -133:sc= -1.97! (180deg=-4.26!) USER MOD Single : A 109 HIS : no HE2:sc= -2.05 K(o=-1.7,f=-4.7) USER MOD Single : A 113 THR OG1 : rot 25:sc= 1.26 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.609 K(o=-0.61,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.295 -5.241 -0.498 1.00 5.25 N ATOM 2 CA MET A 1 -21.463 -4.051 -1.361 1.00 73.24 C ATOM 3 C MET A 1 -20.639 -2.890 -0.823 1.00 22.42 C ATOM 4 O MET A 1 -19.781 -2.356 -1.529 1.00 34.33 O ATOM 5 CB MET A 1 -22.936 -3.650 -1.441 1.00 25.12 C ATOM 6 CG MET A 1 -23.203 -2.510 -2.410 1.00 33.23 C ATOM 7 SD MET A 1 -24.930 -1.992 -2.409 1.00 2.04 S ATOM 8 CE MET A 1 -24.913 -0.774 -3.720 1.00 2.32 C ATOM 0 H1 MET A 1 -21.822 -6.041 -0.903 1.00 5.25 H new ATOM 0 H2 MET A 1 -20.286 -5.486 -0.437 1.00 5.25 H new ATOM 0 H3 MET A 1 -21.659 -5.034 0.454 1.00 5.25 H new ATOM 0 HA MET A 1 -21.113 -4.301 -2.363 1.00 73.24 H new ATOM 0 HB2 MET A 1 -23.524 -4.517 -1.742 1.00 25.12 H new ATOM 0 HB3 MET A 1 -23.280 -3.360 -0.448 1.00 25.12 H new ATOM 0 HG2 MET A 1 -22.572 -1.660 -2.149 1.00 33.23 H new ATOM 0 HG3 MET A 1 -22.921 -2.819 -3.416 1.00 33.23 H new ATOM 0 HE1 MET A 1 -25.913 -0.358 -3.843 1.00 2.32 H new ATOM 0 HE2 MET A 1 -24.217 0.025 -3.465 1.00 2.32 H new ATOM 0 HE3 MET A 1 -24.599 -1.246 -4.651 1.00 2.32 H new ATOM 20 N HIS A 2 -20.895 -2.491 0.421 1.00 72.31 N ATOM 21 CA HIS A 2 -20.070 -1.473 1.064 1.00 33.44 C ATOM 22 C HIS A 2 -18.951 -2.152 1.847 1.00 32.41 C ATOM 23 O HIS A 2 -19.020 -2.323 3.062 1.00 64.33 O ATOM 24 CB HIS A 2 -20.900 -0.513 1.951 1.00 13.42 C ATOM 25 CG HIS A 2 -21.773 -1.168 2.990 1.00 53.51 C ATOM 26 ND1 HIS A 2 -23.109 -1.440 2.786 1.00 14.11 N ATOM 27 CD2 HIS A 2 -21.507 -1.567 4.259 1.00 64.32 C ATOM 28 CE1 HIS A 2 -23.621 -1.977 3.877 1.00 45.00 C ATOM 29 NE2 HIS A 2 -22.671 -2.067 4.785 1.00 14.43 N ATOM 0 H HIS A 2 -21.656 -2.851 0.996 1.00 72.31 H new ATOM 0 HA HIS A 2 -19.629 -0.846 0.289 1.00 33.44 H new ATOM 0 HB2 HIS A 2 -20.215 0.168 2.456 1.00 13.42 H new ATOM 0 HB3 HIS A 2 -21.532 0.094 1.303 1.00 13.42 H new ATOM 0 HD2 HIS A 2 -20.554 -1.503 4.763 1.00 64.32 H new ATOM 0 HE1 HIS A 2 -24.647 -2.290 4.004 1.00 45.00 H new ATOM 0 HE2 HIS A 2 -22.783 -2.446 5.725 1.00 14.43 H new ATOM 38 N ASP A 3 -17.933 -2.581 1.120 1.00 74.14 N ATOM 39 CA ASP A 3 -16.876 -3.399 1.689 1.00 12.33 C ATOM 40 C ASP A 3 -15.629 -2.567 1.959 1.00 20.01 C ATOM 41 O ASP A 3 -15.613 -1.368 1.679 1.00 30.12 O ATOM 42 CB ASP A 3 -16.552 -4.565 0.749 1.00 30.42 C ATOM 43 CG ASP A 3 -17.774 -5.410 0.425 1.00 41.41 C ATOM 44 OD1 ASP A 3 -18.254 -6.139 1.314 1.00 45.03 O ATOM 45 OD2 ASP A 3 -18.267 -5.345 -0.725 1.00 73.41 O ATOM 0 H ASP A 3 -17.816 -2.374 0.128 1.00 74.14 H new ATOM 0 HA ASP A 3 -17.224 -3.800 2.641 1.00 12.33 H new ATOM 0 HB2 ASP A 3 -16.129 -4.174 -0.176 1.00 30.42 H new ATOM 0 HB3 ASP A 3 -15.790 -5.195 1.207 1.00 30.42 H new ATOM 50 N ILE A 4 -14.604 -3.227 2.510 1.00 1.32 N ATOM 51 CA ILE A 4 -13.316 -2.617 2.894 1.00 52.02 C ATOM 52 C ILE A 4 -13.489 -1.371 3.771 1.00 11.42 C ATOM 53 O ILE A 4 -14.585 -1.091 4.259 1.00 1.14 O ATOM 54 CB ILE A 4 -12.391 -2.310 1.682 1.00 12.34 C ATOM 55 CG1 ILE A 4 -12.901 -1.141 0.832 1.00 43.13 C ATOM 56 CG2 ILE A 4 -12.235 -3.556 0.822 1.00 73.44 C ATOM 57 CD1 ILE A 4 -11.970 -0.773 -0.302 1.00 63.43 C ATOM 0 H ILE A 4 -14.644 -4.227 2.708 1.00 1.32 H new ATOM 0 HA ILE A 4 -12.817 -3.380 3.492 1.00 52.02 H new ATOM 0 HB ILE A 4 -11.422 -2.012 2.082 1.00 12.34 H new ATOM 0 HG12 ILE A 4 -13.878 -1.398 0.422 1.00 43.13 H new ATOM 0 HG13 ILE A 4 -13.044 -0.271 1.472 1.00 43.13 H new ATOM 0 HG21 ILE A 4 -11.586 -3.334 -0.025 1.00 73.44 H new ATOM 0 HG22 ILE A 4 -11.794 -4.356 1.417 1.00 73.44 H new ATOM 0 HG23 ILE A 4 -13.213 -3.871 0.457 1.00 73.44 H new ATOM 0 HD11 ILE A 4 -12.392 0.061 -0.863 1.00 63.43 H new ATOM 0 HD12 ILE A 4 -11.000 -0.485 0.103 1.00 63.43 H new ATOM 0 HD13 ILE A 4 -11.847 -1.630 -0.964 1.00 63.43 H new ATOM 69 N ASP A 5 -12.389 -0.654 4.007 1.00 72.21 N ATOM 70 CA ASP A 5 -12.403 0.531 4.872 1.00 72.33 C ATOM 71 C ASP A 5 -13.396 1.560 4.353 1.00 4.31 C ATOM 72 O ASP A 5 -14.424 1.824 4.983 1.00 64.32 O ATOM 73 CB ASP A 5 -11.001 1.147 4.948 1.00 73.23 C ATOM 74 CG ASP A 5 -10.930 2.374 5.845 1.00 5.54 C ATOM 75 OD1 ASP A 5 -10.845 2.202 7.080 1.00 41.22 O ATOM 76 OD2 ASP A 5 -10.920 3.511 5.319 1.00 32.25 O ATOM 0 H ASP A 5 -11.475 -0.872 3.611 1.00 72.21 H new ATOM 0 HA ASP A 5 -12.711 0.224 5.872 1.00 72.33 H new ATOM 0 HB2 ASP A 5 -10.301 0.396 5.315 1.00 73.23 H new ATOM 0 HB3 ASP A 5 -10.677 1.420 3.944 1.00 73.23 H new ATOM 81 N ASP A 6 -13.090 2.116 3.191 1.00 60.24 N ATOM 82 CA ASP A 6 -13.954 3.096 2.552 1.00 1.25 C ATOM 83 C ASP A 6 -13.418 3.445 1.175 1.00 53.15 C ATOM 84 O ASP A 6 -12.206 3.452 0.958 1.00 10.04 O ATOM 85 CB ASP A 6 -14.058 4.364 3.405 1.00 15.04 C ATOM 86 CG ASP A 6 -14.875 5.451 2.739 1.00 62.15 C ATOM 87 OD1 ASP A 6 -16.087 5.240 2.520 1.00 40.55 O ATOM 88 OD2 ASP A 6 -14.311 6.520 2.431 1.00 44.42 O ATOM 0 H ASP A 6 -12.241 1.902 2.667 1.00 60.24 H new ATOM 0 HA ASP A 6 -14.949 2.662 2.451 1.00 1.25 H new ATOM 0 HB2 ASP A 6 -14.508 4.115 4.366 1.00 15.04 H new ATOM 0 HB3 ASP A 6 -13.056 4.742 3.610 1.00 15.04 H new ATOM 93 N TYR A 7 -14.323 3.699 0.244 1.00 41.01 N ATOM 94 CA TYR A 7 -13.956 4.194 -1.071 1.00 51.22 C ATOM 95 C TYR A 7 -14.209 5.699 -1.126 1.00 22.23 C ATOM 96 O TYR A 7 -15.307 6.149 -1.455 1.00 50.55 O ATOM 97 CB TYR A 7 -14.724 3.452 -2.179 1.00 74.15 C ATOM 98 CG TYR A 7 -16.105 2.972 -1.775 1.00 10.12 C ATOM 99 CD1 TYR A 7 -17.226 3.777 -1.939 1.00 52.43 C ATOM 100 CD2 TYR A 7 -16.286 1.703 -1.234 1.00 20.13 C ATOM 101 CE1 TYR A 7 -18.484 3.335 -1.574 1.00 52.14 C ATOM 102 CE2 TYR A 7 -17.540 1.253 -0.869 1.00 64.30 C ATOM 103 CZ TYR A 7 -18.636 2.073 -1.041 1.00 34.10 C ATOM 104 OH TYR A 7 -19.887 1.631 -0.677 1.00 24.22 O ATOM 0 H TYR A 7 -15.326 3.569 0.378 1.00 41.01 H new ATOM 0 HA TYR A 7 -12.896 4.006 -1.244 1.00 51.22 H new ATOM 0 HB2 TYR A 7 -14.821 4.112 -3.041 1.00 74.15 H new ATOM 0 HB3 TYR A 7 -14.134 2.593 -2.500 1.00 74.15 H new ATOM 0 HD1 TYR A 7 -17.112 4.765 -2.359 1.00 52.43 H new ATOM 0 HD2 TYR A 7 -15.431 1.058 -1.097 1.00 20.13 H new ATOM 0 HE1 TYR A 7 -19.344 3.975 -1.706 1.00 52.14 H new ATOM 0 HE2 TYR A 7 -17.662 0.265 -0.451 1.00 64.30 H new ATOM 0 HH TYR A 7 -20.562 2.052 -1.249 1.00 24.22 H new ATOM 114 N PRO A 8 -13.189 6.496 -0.780 1.00 41.41 N ATOM 115 CA PRO A 8 -13.348 7.916 -0.521 1.00 64.45 C ATOM 116 C PRO A 8 -13.178 8.805 -1.752 1.00 73.31 C ATOM 117 O PRO A 8 -14.141 9.084 -2.469 1.00 22.24 O ATOM 118 CB PRO A 8 -12.248 8.209 0.511 1.00 41.21 C ATOM 119 CG PRO A 8 -11.238 7.103 0.384 1.00 71.13 C ATOM 120 CD PRO A 8 -11.796 6.079 -0.612 1.00 53.12 C ATOM 0 HA PRO A 8 -14.360 8.138 -0.183 1.00 64.45 H new ATOM 0 HB2 PRO A 8 -11.787 9.179 0.322 1.00 41.21 H new ATOM 0 HB3 PRO A 8 -12.661 8.243 1.519 1.00 41.21 H new ATOM 0 HG2 PRO A 8 -10.282 7.495 0.036 1.00 71.13 H new ATOM 0 HG3 PRO A 8 -11.057 6.636 1.352 1.00 71.13 H new ATOM 0 HD2 PRO A 8 -11.253 6.100 -1.557 1.00 53.12 H new ATOM 0 HD3 PRO A 8 -11.724 5.062 -0.226 1.00 53.12 H new ATOM 128 N GLN A 9 -11.950 9.241 -1.991 1.00 21.33 N ATOM 129 CA GLN A 9 -11.676 10.250 -3.003 1.00 32.42 C ATOM 130 C GLN A 9 -11.345 9.624 -4.353 1.00 42.35 C ATOM 131 O GLN A 9 -11.119 8.420 -4.450 1.00 15.21 O ATOM 132 CB GLN A 9 -10.529 11.152 -2.523 1.00 41.31 C ATOM 133 CG GLN A 9 -9.164 10.906 -3.175 1.00 51.45 C ATOM 134 CD GLN A 9 -8.429 9.657 -2.708 1.00 60.15 C ATOM 135 OE1 GLN A 9 -7.210 9.668 -2.613 1.00 50.10 O ATOM 136 NE2 GLN A 9 -9.135 8.562 -2.484 1.00 60.43 N ATOM 0 H GLN A 9 -11.123 8.909 -1.494 1.00 21.33 H new ATOM 0 HA GLN A 9 -12.575 10.849 -3.145 1.00 32.42 H new ATOM 0 HB2 GLN A 9 -10.812 12.190 -2.698 1.00 41.31 H new ATOM 0 HB3 GLN A 9 -10.422 11.028 -1.445 1.00 41.31 H new ATOM 0 HG2 GLN A 9 -9.303 10.842 -4.254 1.00 51.45 H new ATOM 0 HG3 GLN A 9 -8.529 11.772 -2.986 1.00 51.45 H new ATOM 0 HE21 GLN A 9 -10.151 8.584 -2.571 1.00 60.43 H new ATOM 0 HE22 GLN A 9 -8.664 7.696 -2.224 1.00 60.43 H new ATOM 145 N ALA A 10 -11.314 10.454 -5.386 1.00 74.42 N ATOM 146 CA ALA A 10 -10.915 10.007 -6.707 1.00 74.41 C ATOM 147 C ALA A 10 -9.943 10.995 -7.345 1.00 12.30 C ATOM 148 O ALA A 10 -10.070 11.339 -8.518 1.00 22.52 O ATOM 149 CB ALA A 10 -12.140 9.812 -7.583 1.00 33.32 C ATOM 0 H ALA A 10 -11.561 11.442 -5.331 1.00 74.42 H new ATOM 0 HA ALA A 10 -10.401 9.051 -6.610 1.00 74.41 H new ATOM 0 HB1 ALA A 10 -11.830 9.476 -8.573 1.00 33.32 H new ATOM 0 HB2 ALA A 10 -12.793 9.064 -7.134 1.00 33.32 H new ATOM 0 HB3 ALA A 10 -12.678 10.756 -7.672 1.00 33.32 H new ATOM 155 N LYS A 11 -8.968 11.449 -6.566 1.00 41.24 N ATOM 156 CA LYS A 11 -7.902 12.299 -7.091 1.00 52.24 C ATOM 157 C LYS A 11 -6.822 11.437 -7.733 1.00 52.10 C ATOM 158 O LYS A 11 -5.728 11.298 -7.208 1.00 54.25 O ATOM 159 CB LYS A 11 -7.303 13.196 -5.994 1.00 24.31 C ATOM 160 CG LYS A 11 -8.015 14.537 -5.824 1.00 32.35 C ATOM 161 CD LYS A 11 -9.434 14.383 -5.290 1.00 55.12 C ATOM 162 CE LYS A 11 -9.466 14.163 -3.785 1.00 62.21 C ATOM 163 NZ LYS A 11 -9.018 15.358 -3.029 1.00 20.53 N ATOM 0 H LYS A 11 -8.892 11.244 -5.570 1.00 41.24 H new ATOM 0 HA LYS A 11 -8.331 12.956 -7.848 1.00 52.24 H new ATOM 0 HB2 LYS A 11 -7.332 12.659 -5.046 1.00 24.31 H new ATOM 0 HB3 LYS A 11 -6.254 13.381 -6.224 1.00 24.31 H new ATOM 0 HG2 LYS A 11 -7.441 15.165 -5.143 1.00 32.35 H new ATOM 0 HG3 LYS A 11 -8.046 15.052 -6.784 1.00 32.35 H new ATOM 0 HD2 LYS A 11 -10.011 15.274 -5.537 1.00 55.12 H new ATOM 0 HD3 LYS A 11 -9.918 13.542 -5.788 1.00 55.12 H new ATOM 0 HE2 LYS A 11 -10.480 13.903 -3.480 1.00 62.21 H new ATOM 0 HE3 LYS A 11 -8.829 13.316 -3.531 1.00 62.21 H new ATOM 0 HZ1 LYS A 11 -9.321 15.275 -2.038 1.00 20.53 H new ATOM 0 HZ2 LYS A 11 -7.981 15.426 -3.069 1.00 20.53 H new ATOM 0 HZ3 LYS A 11 -9.437 16.212 -3.449 1.00 20.53 H new ATOM 177 N ARG A 12 -7.149 10.864 -8.883 1.00 53.51 N ATOM 178 CA ARG A 12 -6.301 9.859 -9.515 1.00 3.34 C ATOM 179 C ARG A 12 -5.057 10.464 -10.157 1.00 64.12 C ATOM 180 O ARG A 12 -4.061 9.773 -10.345 1.00 52.41 O ATOM 181 CB ARG A 12 -7.081 9.045 -10.554 1.00 22.25 C ATOM 182 CG ARG A 12 -7.752 9.868 -11.646 1.00 63.12 C ATOM 183 CD ARG A 12 -9.094 10.413 -11.189 1.00 53.03 C ATOM 184 NE ARG A 12 -9.760 11.204 -12.222 1.00 20.25 N ATOM 185 CZ ARG A 12 -10.952 11.776 -12.065 1.00 1.24 C ATOM 186 NH1 ARG A 12 -11.590 11.674 -10.904 1.00 21.32 N ATOM 187 NH2 ARG A 12 -11.499 12.463 -13.059 1.00 34.12 N ATOM 0 H ARG A 12 -8.001 11.079 -9.401 1.00 53.51 H new ATOM 0 HA ARG A 12 -5.972 9.194 -8.717 1.00 3.34 H new ATOM 0 HB2 ARG A 12 -6.400 8.334 -11.022 1.00 22.25 H new ATOM 0 HB3 ARG A 12 -7.844 8.462 -10.038 1.00 22.25 H new ATOM 0 HG2 ARG A 12 -7.101 10.694 -11.932 1.00 63.12 H new ATOM 0 HG3 ARG A 12 -7.892 9.251 -12.534 1.00 63.12 H new ATOM 0 HD2 ARG A 12 -9.739 9.584 -10.899 1.00 53.03 H new ATOM 0 HD3 ARG A 12 -8.949 11.029 -10.302 1.00 53.03 H new ATOM 0 HE ARG A 12 -9.284 11.325 -13.116 1.00 20.25 H new ATOM 0 HH11 ARG A 12 -11.167 11.158 -10.133 1.00 21.32 H new ATOM 0 HH12 ARG A 12 -12.503 12.112 -10.784 1.00 21.32 H new ATOM 0 HH21 ARG A 12 -11.006 12.554 -13.947 1.00 34.12 H new ATOM 0 HH22 ARG A 12 -12.412 12.900 -12.935 1.00 34.12 H new ATOM 201 N VAL A 13 -5.102 11.738 -10.499 1.00 41.15 N ATOM 202 CA VAL A 13 -3.957 12.360 -11.144 1.00 71.41 C ATOM 203 C VAL A 13 -2.989 12.967 -10.119 1.00 61.40 C ATOM 204 O VAL A 13 -1.820 12.594 -10.096 1.00 23.13 O ATOM 205 CB VAL A 13 -4.380 13.425 -12.184 1.00 53.21 C ATOM 206 CG1 VAL A 13 -3.161 14.036 -12.861 1.00 22.04 C ATOM 207 CG2 VAL A 13 -5.321 12.821 -13.217 1.00 72.53 C ATOM 0 H VAL A 13 -5.901 12.353 -10.346 1.00 41.15 H new ATOM 0 HA VAL A 13 -3.435 11.565 -11.677 1.00 71.41 H new ATOM 0 HB VAL A 13 -4.910 14.220 -11.659 1.00 53.21 H new ATOM 0 HG11 VAL A 13 -3.484 14.782 -13.588 1.00 22.04 H new ATOM 0 HG12 VAL A 13 -2.528 14.510 -12.111 1.00 22.04 H new ATOM 0 HG13 VAL A 13 -2.597 13.254 -13.370 1.00 22.04 H new ATOM 0 HG21 VAL A 13 -5.607 13.585 -13.939 1.00 72.53 H new ATOM 0 HG22 VAL A 13 -4.818 12.004 -13.734 1.00 72.53 H new ATOM 0 HG23 VAL A 13 -6.213 12.441 -12.719 1.00 72.53 H new ATOM 217 N PRO A 14 -3.443 13.900 -9.251 1.00 41.40 N ATOM 218 CA PRO A 14 -2.570 14.624 -8.339 1.00 32.23 C ATOM 219 C PRO A 14 -2.611 14.106 -6.896 1.00 61.43 C ATOM 220 O PRO A 14 -2.708 14.895 -5.953 1.00 53.32 O ATOM 221 CB PRO A 14 -3.155 16.037 -8.416 1.00 21.32 C ATOM 222 CG PRO A 14 -4.613 15.858 -8.748 1.00 73.01 C ATOM 223 CD PRO A 14 -4.817 14.372 -9.084 1.00 42.40 C ATOM 0 HA PRO A 14 -1.519 14.533 -8.614 1.00 32.23 H new ATOM 0 HB2 PRO A 14 -3.031 16.564 -7.470 1.00 21.32 H new ATOM 0 HB3 PRO A 14 -2.650 16.629 -9.179 1.00 21.32 H new ATOM 0 HG2 PRO A 14 -5.239 16.153 -7.906 1.00 73.01 H new ATOM 0 HG3 PRO A 14 -4.897 16.487 -9.592 1.00 73.01 H new ATOM 0 HD2 PRO A 14 -5.335 13.842 -8.285 1.00 42.40 H new ATOM 0 HD3 PRO A 14 -5.407 14.237 -9.991 1.00 42.40 H new ATOM 231 N GLY A 15 -2.525 12.796 -6.718 1.00 65.04 N ATOM 232 CA GLY A 15 -2.450 12.242 -5.377 1.00 12.14 C ATOM 233 C GLY A 15 -3.659 11.407 -5.008 1.00 24.40 C ATOM 234 O GLY A 15 -4.619 11.917 -4.422 1.00 33.22 O ATOM 0 H GLY A 15 -2.506 12.108 -7.471 1.00 65.04 H new ATOM 0 HA2 GLY A 15 -1.553 11.628 -5.294 1.00 12.14 H new ATOM 0 HA3 GLY A 15 -2.346 13.056 -4.660 1.00 12.14 H new ATOM 238 N LEU A 16 -3.616 10.123 -5.338 1.00 34.11 N ATOM 239 CA LEU A 16 -4.713 9.216 -5.021 1.00 75.12 C ATOM 240 C LEU A 16 -4.276 8.249 -3.938 1.00 14.40 C ATOM 241 O LEU A 16 -3.090 7.953 -3.806 1.00 3.32 O ATOM 242 CB LEU A 16 -5.188 8.453 -6.271 1.00 75.15 C ATOM 243 CG LEU A 16 -4.241 7.369 -6.802 1.00 42.45 C ATOM 244 CD1 LEU A 16 -4.546 6.016 -6.176 1.00 42.21 C ATOM 245 CD2 LEU A 16 -4.331 7.280 -8.312 1.00 4.30 C ATOM 0 H LEU A 16 -2.834 9.685 -5.825 1.00 34.11 H new ATOM 0 HA LEU A 16 -5.556 9.805 -4.658 1.00 75.12 H new ATOM 0 HB2 LEU A 16 -6.148 7.989 -6.045 1.00 75.15 H new ATOM 0 HB3 LEU A 16 -5.363 9.176 -7.068 1.00 75.15 H new ATOM 0 HG LEU A 16 -3.225 7.649 -6.525 1.00 42.45 H new ATOM 0 HD11 LEU A 16 -3.859 5.269 -6.572 1.00 42.21 H new ATOM 0 HD12 LEU A 16 -4.428 6.081 -5.094 1.00 42.21 H new ATOM 0 HD13 LEU A 16 -5.570 5.728 -6.413 1.00 42.21 H new ATOM 0 HD21 LEU A 16 -3.653 6.506 -8.672 1.00 4.30 H new ATOM 0 HD22 LEU A 16 -5.352 7.031 -8.602 1.00 4.30 H new ATOM 0 HD23 LEU A 16 -4.053 8.239 -8.750 1.00 4.30 H new ATOM 257 N VAL A 17 -5.227 7.761 -3.158 1.00 24.41 N ATOM 258 CA VAL A 17 -4.900 6.876 -2.057 1.00 72.41 C ATOM 259 C VAL A 17 -5.701 5.581 -2.138 1.00 21.44 C ATOM 260 O VAL A 17 -6.933 5.594 -2.233 1.00 0.03 O ATOM 261 CB VAL A 17 -5.109 7.568 -0.683 1.00 62.24 C ATOM 262 CG1 VAL A 17 -4.507 8.958 -0.715 1.00 45.12 C ATOM 263 CG2 VAL A 17 -6.577 7.642 -0.287 1.00 73.11 C ATOM 0 H VAL A 17 -6.221 7.961 -3.266 1.00 24.41 H new ATOM 0 HA VAL A 17 -3.842 6.629 -2.144 1.00 72.41 H new ATOM 0 HB VAL A 17 -4.605 6.962 0.070 1.00 62.24 H new ATOM 0 HG11 VAL A 17 -4.655 9.441 0.251 1.00 45.12 H new ATOM 0 HG12 VAL A 17 -3.440 8.888 -0.925 1.00 45.12 H new ATOM 0 HG13 VAL A 17 -4.992 9.547 -1.493 1.00 45.12 H new ATOM 0 HG21 VAL A 17 -6.668 8.135 0.681 1.00 73.11 H new ATOM 0 HG22 VAL A 17 -7.128 8.210 -1.037 1.00 73.11 H new ATOM 0 HG23 VAL A 17 -6.987 6.634 -0.222 1.00 73.11 H new ATOM 273 N VAL A 18 -4.990 4.462 -2.153 1.00 63.23 N ATOM 274 CA VAL A 18 -5.624 3.144 -2.189 1.00 65.34 C ATOM 275 C VAL A 18 -4.805 2.122 -1.405 1.00 20.11 C ATOM 276 O VAL A 18 -3.676 1.824 -1.766 1.00 3.41 O ATOM 277 CB VAL A 18 -5.820 2.622 -3.639 1.00 52.23 C ATOM 278 CG1 VAL A 18 -6.989 3.318 -4.320 1.00 72.40 C ATOM 279 CG2 VAL A 18 -4.553 2.799 -4.466 1.00 31.51 C ATOM 0 H VAL A 18 -3.970 4.437 -2.141 1.00 63.23 H new ATOM 0 HA VAL A 18 -6.605 3.266 -1.730 1.00 65.34 H new ATOM 0 HB VAL A 18 -6.042 1.557 -3.572 1.00 52.23 H new ATOM 0 HG11 VAL A 18 -7.102 2.932 -5.333 1.00 72.40 H new ATOM 0 HG12 VAL A 18 -7.903 3.130 -3.756 1.00 72.40 H new ATOM 0 HG13 VAL A 18 -6.801 4.391 -4.359 1.00 72.40 H new ATOM 0 HG21 VAL A 18 -4.722 2.424 -5.476 1.00 31.51 H new ATOM 0 HG22 VAL A 18 -4.292 3.856 -4.510 1.00 31.51 H new ATOM 0 HG23 VAL A 18 -3.737 2.243 -4.005 1.00 31.51 H new ATOM 289 N TYR A 19 -5.370 1.596 -0.322 1.00 55.32 N ATOM 290 CA TYR A 19 -4.682 0.580 0.470 1.00 11.15 C ATOM 291 C TYR A 19 -5.589 0.039 1.563 1.00 34.31 C ATOM 292 O TYR A 19 -5.792 -1.166 1.667 1.00 13.45 O ATOM 293 CB TYR A 19 -3.423 1.152 1.092 1.00 45.32 C ATOM 294 CG TYR A 19 -2.252 0.201 1.076 1.00 63.15 C ATOM 295 CD1 TYR A 19 -2.048 -0.657 0.002 1.00 24.42 C ATOM 296 CD2 TYR A 19 -1.337 0.185 2.114 1.00 14.34 C ATOM 297 CE1 TYR A 19 -0.961 -1.505 -0.030 1.00 2.24 C ATOM 298 CE2 TYR A 19 -0.253 -0.663 2.092 1.00 62.22 C ATOM 299 CZ TYR A 19 -0.069 -1.503 1.018 1.00 60.11 C ATOM 300 OH TYR A 19 1.017 -2.336 0.987 1.00 75.43 O ATOM 0 H TYR A 19 -6.294 1.853 0.025 1.00 55.32 H new ATOM 0 HA TYR A 19 -4.411 -0.237 -0.199 1.00 11.15 H new ATOM 0 HB2 TYR A 19 -3.147 2.063 0.560 1.00 45.32 H new ATOM 0 HB3 TYR A 19 -3.635 1.436 2.123 1.00 45.32 H new ATOM 0 HD1 TYR A 19 -2.750 -0.660 -0.819 1.00 24.42 H new ATOM 0 HD2 TYR A 19 -1.476 0.848 2.955 1.00 14.34 H new ATOM 0 HE1 TYR A 19 -0.811 -2.166 -0.871 1.00 2.24 H new ATOM 0 HE2 TYR A 19 0.449 -0.669 2.913 1.00 62.22 H new ATOM 0 HH TYR A 19 1.383 -2.431 1.891 1.00 75.43 H new ATOM 310 N ARG A 20 -6.074 0.957 2.394 1.00 33.13 N ATOM 311 CA ARG A 20 -7.070 0.673 3.440 1.00 73.42 C ATOM 312 C ARG A 20 -8.003 -0.510 3.122 1.00 2.24 C ATOM 313 O ARG A 20 -8.808 -0.452 2.194 1.00 2.51 O ATOM 314 CB ARG A 20 -7.935 1.912 3.654 1.00 60.30 C ATOM 315 CG ARG A 20 -7.170 3.144 4.087 1.00 70.01 C ATOM 316 CD ARG A 20 -8.098 4.342 4.185 1.00 62.15 C ATOM 317 NE ARG A 20 -7.470 5.479 4.851 1.00 53.00 N ATOM 318 CZ ARG A 20 -8.063 6.179 5.816 1.00 54.21 C ATOM 319 NH1 ARG A 20 -9.282 5.839 6.230 1.00 31.41 N ATOM 320 NH2 ARG A 20 -7.435 7.213 6.366 1.00 4.31 N ATOM 0 H ARG A 20 -5.786 1.935 2.365 1.00 33.13 H new ATOM 0 HA ARG A 20 -6.502 0.402 4.330 1.00 73.42 H new ATOM 0 HB2 ARG A 20 -8.464 2.135 2.727 1.00 60.30 H new ATOM 0 HB3 ARG A 20 -8.691 1.686 4.406 1.00 60.30 H new ATOM 0 HG2 ARG A 20 -6.696 2.964 5.052 1.00 70.01 H new ATOM 0 HG3 ARG A 20 -6.372 3.352 3.374 1.00 70.01 H new ATOM 0 HD2 ARG A 20 -8.411 4.638 3.184 1.00 62.15 H new ATOM 0 HD3 ARG A 20 -8.998 4.057 4.730 1.00 62.15 H new ATOM 0 HE ARG A 20 -6.530 5.751 4.563 1.00 53.00 H new ATOM 0 HH11 ARG A 20 -9.760 5.043 5.808 1.00 31.41 H new ATOM 0 HH12 ARG A 20 -9.737 6.374 6.969 1.00 31.41 H new ATOM 0 HH21 ARG A 20 -6.500 7.469 6.049 1.00 4.31 H new ATOM 0 HH22 ARG A 20 -7.888 7.750 7.105 1.00 4.31 H new ATOM 334 N TYR A 21 -7.885 -1.572 3.914 1.00 51.01 N ATOM 335 CA TYR A 21 -8.832 -2.687 3.884 1.00 24.12 C ATOM 336 C TYR A 21 -9.382 -2.893 5.289 1.00 14.14 C ATOM 337 O TYR A 21 -8.931 -2.232 6.214 1.00 3.02 O ATOM 338 CB TYR A 21 -8.163 -3.984 3.412 1.00 25.43 C ATOM 339 CG TYR A 21 -7.684 -3.966 1.977 1.00 25.41 C ATOM 340 CD1 TYR A 21 -8.567 -3.736 0.931 1.00 72.35 C ATOM 341 CD2 TYR A 21 -6.347 -4.191 1.668 1.00 50.51 C ATOM 342 CE1 TYR A 21 -8.132 -3.725 -0.381 1.00 55.22 C ATOM 343 CE2 TYR A 21 -5.905 -4.180 0.358 1.00 20.44 C ATOM 344 CZ TYR A 21 -6.802 -3.948 -0.662 1.00 73.23 C ATOM 345 OH TYR A 21 -6.367 -3.939 -1.969 1.00 21.43 O ATOM 0 H TYR A 21 -7.133 -1.686 4.594 1.00 51.01 H new ATOM 0 HA TYR A 21 -9.630 -2.445 3.182 1.00 24.12 H new ATOM 0 HB2 TYR A 21 -7.313 -4.195 4.061 1.00 25.43 H new ATOM 0 HB3 TYR A 21 -8.869 -4.806 3.534 1.00 25.43 H new ATOM 0 HD1 TYR A 21 -9.611 -3.563 1.146 1.00 72.35 H new ATOM 0 HD2 TYR A 21 -5.642 -4.377 2.465 1.00 50.51 H new ATOM 0 HE1 TYR A 21 -8.832 -3.542 -1.183 1.00 55.22 H new ATOM 0 HE2 TYR A 21 -4.862 -4.352 0.135 1.00 20.44 H new ATOM 0 HH TYR A 21 -7.125 -3.762 -2.565 1.00 21.43 H new ATOM 355 N ASP A 22 -10.343 -3.797 5.455 1.00 61.35 N ATOM 356 CA ASP A 22 -10.857 -4.116 6.792 1.00 53.20 C ATOM 357 C ASP A 22 -11.214 -5.596 6.899 1.00 25.24 C ATOM 358 O ASP A 22 -11.740 -6.050 7.916 1.00 40.42 O ATOM 359 CB ASP A 22 -12.091 -3.264 7.124 1.00 2.11 C ATOM 360 CG ASP A 22 -13.386 -3.881 6.628 1.00 64.11 C ATOM 361 OD1 ASP A 22 -13.526 -4.079 5.409 1.00 42.44 O ATOM 362 OD2 ASP A 22 -14.269 -4.182 7.461 1.00 13.44 O ATOM 0 H ASP A 22 -10.780 -4.318 4.694 1.00 61.35 H new ATOM 0 HA ASP A 22 -10.068 -3.889 7.509 1.00 53.20 H new ATOM 0 HB2 ASP A 22 -12.151 -3.125 8.203 1.00 2.11 H new ATOM 0 HB3 ASP A 22 -11.973 -2.275 6.682 1.00 2.11 H new ATOM 367 N ALA A 23 -10.871 -6.359 5.871 1.00 22.31 N ATOM 368 CA ALA A 23 -11.316 -7.742 5.780 1.00 25.40 C ATOM 369 C ALA A 23 -10.161 -8.700 5.555 1.00 74.32 C ATOM 370 O ALA A 23 -9.375 -8.521 4.627 1.00 1.25 O ATOM 371 CB ALA A 23 -12.305 -7.887 4.647 1.00 34.43 C ATOM 0 H ALA A 23 -10.290 -6.047 5.093 1.00 22.31 H new ATOM 0 HA ALA A 23 -11.785 -7.995 6.731 1.00 25.40 H new ATOM 0 HB1 ALA A 23 -12.635 -8.924 4.583 1.00 34.43 H new ATOM 0 HB2 ALA A 23 -13.165 -7.243 4.830 1.00 34.43 H new ATOM 0 HB3 ALA A 23 -11.829 -7.599 3.710 1.00 34.43 H new ATOM 377 N PRO A 24 -10.045 -9.726 6.408 1.00 72.41 N ATOM 378 CA PRO A 24 -9.021 -10.769 6.267 1.00 23.22 C ATOM 379 C PRO A 24 -9.212 -11.621 5.018 1.00 11.33 C ATOM 380 O PRO A 24 -9.983 -12.584 5.021 1.00 4.12 O ATOM 381 CB PRO A 24 -9.180 -11.630 7.530 1.00 74.22 C ATOM 382 CG PRO A 24 -9.951 -10.781 8.477 1.00 73.13 C ATOM 383 CD PRO A 24 -10.871 -9.937 7.602 1.00 42.42 C ATOM 0 HA PRO A 24 -8.029 -10.331 6.162 1.00 23.22 H new ATOM 0 HB2 PRO A 24 -9.708 -12.558 7.312 1.00 74.22 H new ATOM 0 HB3 PRO A 24 -8.211 -11.905 7.945 1.00 74.22 H new ATOM 0 HG2 PRO A 24 -10.523 -11.391 9.176 1.00 73.13 H new ATOM 0 HG3 PRO A 24 -9.288 -10.153 9.071 1.00 73.13 H new ATOM 0 HD2 PRO A 24 -11.801 -10.455 7.369 1.00 42.42 H new ATOM 0 HD3 PRO A 24 -11.142 -8.997 8.082 1.00 42.42 H new ATOM 391 N LEU A 25 -8.531 -11.243 3.945 1.00 11.14 N ATOM 392 CA LEU A 25 -8.505 -12.067 2.747 1.00 75.10 C ATOM 393 C LEU A 25 -7.233 -12.899 2.732 1.00 63.44 C ATOM 394 O LEU A 25 -7.063 -13.792 1.895 1.00 13.34 O ATOM 395 CB LEU A 25 -8.692 -11.246 1.435 1.00 51.25 C ATOM 396 CG LEU A 25 -7.648 -10.161 1.040 1.00 62.32 C ATOM 397 CD1 LEU A 25 -7.542 -9.048 2.068 1.00 22.12 C ATOM 398 CD2 LEU A 25 -6.276 -10.760 0.765 1.00 73.35 C ATOM 0 H LEU A 25 -7.994 -10.378 3.880 1.00 11.14 H new ATOM 0 HA LEU A 25 -9.364 -12.738 2.781 1.00 75.10 H new ATOM 0 HB2 LEU A 25 -8.746 -11.958 0.612 1.00 51.25 H new ATOM 0 HB3 LEU A 25 -9.663 -10.755 1.496 1.00 51.25 H new ATOM 0 HG LEU A 25 -8.019 -9.720 0.115 1.00 62.32 H new ATOM 0 HD11 LEU A 25 -6.800 -8.320 1.741 1.00 22.12 H new ATOM 0 HD12 LEU A 25 -8.509 -8.557 2.174 1.00 22.12 H new ATOM 0 HD13 LEU A 25 -7.241 -9.467 3.028 1.00 22.12 H new ATOM 0 HD21 LEU A 25 -5.580 -9.966 0.493 1.00 73.35 H new ATOM 0 HD22 LEU A 25 -5.915 -11.268 1.659 1.00 73.35 H new ATOM 0 HD23 LEU A 25 -6.349 -11.475 -0.055 1.00 73.35 H new ATOM 410 N CYS A 26 -6.345 -12.580 3.673 1.00 51.43 N ATOM 411 CA CYS A 26 -5.129 -13.349 3.908 1.00 2.23 C ATOM 412 C CYS A 26 -4.153 -13.206 2.745 1.00 63.33 C ATOM 413 O CYS A 26 -3.212 -12.416 2.822 1.00 73.13 O ATOM 414 CB CYS A 26 -5.473 -14.822 4.163 1.00 73.02 C ATOM 415 SG CYS A 26 -6.691 -15.064 5.478 1.00 25.30 S ATOM 0 H CYS A 26 -6.451 -11.778 4.294 1.00 51.43 H new ATOM 0 HA CYS A 26 -4.638 -12.951 4.796 1.00 2.23 H new ATOM 0 HB2 CYS A 26 -5.853 -15.262 3.241 1.00 73.02 H new ATOM 0 HB3 CYS A 26 -4.561 -15.360 4.421 1.00 73.02 H new ATOM 0 HG CYS A 26 -6.924 -16.334 5.625 1.00 25.30 H new ATOM 421 N PHE A 27 -4.386 -13.970 1.680 1.00 34.32 N ATOM 422 CA PHE A 27 -3.570 -13.905 0.471 1.00 12.35 C ATOM 423 C PHE A 27 -4.057 -14.907 -0.574 1.00 23.45 C ATOM 424 O PHE A 27 -3.405 -15.100 -1.600 1.00 64.13 O ATOM 425 CB PHE A 27 -2.084 -14.157 0.781 1.00 15.33 C ATOM 426 CG PHE A 27 -1.801 -15.486 1.435 1.00 74.11 C ATOM 427 CD1 PHE A 27 -1.846 -15.617 2.814 1.00 71.32 C ATOM 428 CD2 PHE A 27 -1.486 -16.599 0.672 1.00 75.23 C ATOM 429 CE1 PHE A 27 -1.587 -16.830 3.418 1.00 13.42 C ATOM 430 CE2 PHE A 27 -1.227 -17.814 1.271 1.00 11.51 C ATOM 431 CZ PHE A 27 -1.277 -17.931 2.646 1.00 52.40 C ATOM 0 H PHE A 27 -5.145 -14.650 1.631 1.00 34.32 H new ATOM 0 HA PHE A 27 -3.673 -12.897 0.068 1.00 12.35 H new ATOM 0 HB2 PHE A 27 -1.516 -14.094 -0.147 1.00 15.33 H new ATOM 0 HB3 PHE A 27 -1.721 -13.361 1.431 1.00 15.33 H new ATOM 0 HD1 PHE A 27 -2.087 -14.759 3.424 1.00 71.32 H new ATOM 0 HD2 PHE A 27 -1.443 -16.514 -0.404 1.00 75.23 H new ATOM 0 HE1 PHE A 27 -1.627 -16.918 4.494 1.00 13.42 H new ATOM 0 HE2 PHE A 27 -0.985 -18.674 0.664 1.00 11.51 H new ATOM 0 HZ PHE A 27 -1.074 -18.882 3.116 1.00 52.40 H new ATOM 441 N ALA A 28 -5.231 -15.495 -0.329 1.00 30.02 N ATOM 442 CA ALA A 28 -5.738 -16.604 -1.141 1.00 52.23 C ATOM 443 C ALA A 28 -5.758 -16.264 -2.628 1.00 64.35 C ATOM 444 O ALA A 28 -5.273 -17.032 -3.457 1.00 35.30 O ATOM 445 CB ALA A 28 -7.127 -16.996 -0.673 1.00 3.42 C ATOM 0 H ALA A 28 -5.852 -15.219 0.431 1.00 30.02 H new ATOM 0 HA ALA A 28 -5.058 -17.446 -1.010 1.00 52.23 H new ATOM 0 HB1 ALA A 28 -7.497 -17.821 -1.282 1.00 3.42 H new ATOM 0 HB2 ALA A 28 -7.085 -17.306 0.371 1.00 3.42 H new ATOM 0 HB3 ALA A 28 -7.798 -16.143 -0.772 1.00 3.42 H new ATOM 451 N ASN A 29 -6.325 -15.122 -2.960 1.00 62.53 N ATOM 452 CA ASN A 29 -6.328 -14.647 -4.333 1.00 14.10 C ATOM 453 C ASN A 29 -5.646 -13.293 -4.410 1.00 73.53 C ATOM 454 O ASN A 29 -5.725 -12.607 -5.426 1.00 64.44 O ATOM 455 CB ASN A 29 -7.760 -14.532 -4.864 1.00 3.44 C ATOM 456 CG ASN A 29 -8.547 -13.413 -4.203 1.00 13.32 C ATOM 457 OD1 ASN A 29 -8.343 -13.095 -3.030 1.00 23.45 O ATOM 458 ND2 ASN A 29 -9.444 -12.801 -4.958 1.00 45.53 N ATOM 0 H ASN A 29 -6.791 -14.503 -2.297 1.00 62.53 H new ATOM 0 HA ASN A 29 -5.785 -15.365 -4.948 1.00 14.10 H new ATOM 0 HB2 ASN A 29 -7.731 -14.362 -5.940 1.00 3.44 H new ATOM 0 HB3 ASN A 29 -8.278 -15.477 -4.705 1.00 3.44 H new ATOM 0 HD21 ASN A 29 -9.997 -12.035 -4.573 1.00 45.53 H new ATOM 0 HD22 ASN A 29 -9.583 -13.095 -5.925 1.00 45.53 H new ATOM 465 N ALA A 30 -4.935 -12.938 -3.342 1.00 13.32 N ATOM 466 CA ALA A 30 -4.404 -11.587 -3.177 1.00 35.43 C ATOM 467 C ALA A 30 -3.390 -11.225 -4.250 1.00 3.33 C ATOM 468 O ALA A 30 -3.152 -10.047 -4.493 1.00 15.12 O ATOM 469 CB ALA A 30 -3.780 -11.426 -1.802 1.00 23.44 C ATOM 0 H ALA A 30 -4.712 -13.571 -2.574 1.00 13.32 H new ATOM 0 HA ALA A 30 -5.246 -10.903 -3.279 1.00 35.43 H new ATOM 0 HB1 ALA A 30 -3.389 -10.414 -1.696 1.00 23.44 H new ATOM 0 HB2 ALA A 30 -4.535 -11.606 -1.037 1.00 23.44 H new ATOM 0 HB3 ALA A 30 -2.967 -12.143 -1.685 1.00 23.44 H new ATOM 475 N GLU A 31 -2.803 -12.226 -4.891 1.00 2.31 N ATOM 476 CA GLU A 31 -1.831 -11.980 -5.945 1.00 11.04 C ATOM 477 C GLU A 31 -2.498 -11.263 -7.118 1.00 2.41 C ATOM 478 O GLU A 31 -2.217 -10.090 -7.392 1.00 43.41 O ATOM 479 CB GLU A 31 -1.204 -13.294 -6.411 1.00 1.54 C ATOM 480 CG GLU A 31 -0.123 -13.106 -7.463 1.00 64.21 C ATOM 481 CD GLU A 31 0.424 -14.416 -7.982 1.00 75.33 C ATOM 482 OE1 GLU A 31 1.391 -14.941 -7.388 1.00 51.54 O ATOM 483 OE2 GLU A 31 -0.101 -14.923 -8.996 1.00 21.12 O ATOM 0 H GLU A 31 -2.982 -13.212 -4.700 1.00 2.31 H new ATOM 0 HA GLU A 31 -1.040 -11.343 -5.549 1.00 11.04 H new ATOM 0 HB2 GLU A 31 -0.778 -13.810 -5.551 1.00 1.54 H new ATOM 0 HB3 GLU A 31 -1.985 -13.938 -6.814 1.00 1.54 H new ATOM 0 HG2 GLU A 31 -0.529 -12.532 -8.296 1.00 64.21 H new ATOM 0 HG3 GLU A 31 0.692 -12.520 -7.039 1.00 64.21 H new ATOM 490 N ASP A 32 -3.406 -11.963 -7.786 1.00 62.25 N ATOM 491 CA ASP A 32 -4.121 -11.400 -8.923 1.00 12.44 C ATOM 492 C ASP A 32 -5.100 -10.330 -8.466 1.00 13.22 C ATOM 493 O ASP A 32 -5.358 -9.381 -9.193 1.00 65.51 O ATOM 494 CB ASP A 32 -4.855 -12.499 -9.698 1.00 33.30 C ATOM 495 CG ASP A 32 -5.711 -11.960 -10.835 1.00 23.42 C ATOM 496 OD1 ASP A 32 -5.176 -11.777 -11.951 1.00 32.45 O ATOM 497 OD2 ASP A 32 -6.925 -11.741 -10.624 1.00 50.42 O ATOM 0 H ASP A 32 -3.665 -12.923 -7.559 1.00 62.25 H new ATOM 0 HA ASP A 32 -3.391 -10.938 -9.588 1.00 12.44 H new ATOM 0 HB2 ASP A 32 -4.124 -13.200 -10.102 1.00 33.30 H new ATOM 0 HB3 ASP A 32 -5.487 -13.060 -9.010 1.00 33.30 H new ATOM 502 N PHE A 33 -5.625 -10.482 -7.256 1.00 11.23 N ATOM 503 CA PHE A 33 -6.552 -9.504 -6.695 1.00 21.30 C ATOM 504 C PHE A 33 -5.895 -8.130 -6.551 1.00 12.11 C ATOM 505 O PHE A 33 -6.398 -7.137 -7.079 1.00 3.22 O ATOM 506 CB PHE A 33 -7.079 -9.989 -5.338 1.00 53.44 C ATOM 507 CG PHE A 33 -7.676 -8.898 -4.495 1.00 25.32 C ATOM 508 CD1 PHE A 33 -8.788 -8.194 -4.930 1.00 55.30 C ATOM 509 CD2 PHE A 33 -7.107 -8.563 -3.275 1.00 4.15 C ATOM 510 CE1 PHE A 33 -9.321 -7.172 -4.168 1.00 22.50 C ATOM 511 CE2 PHE A 33 -7.640 -7.544 -2.506 1.00 41.22 C ATOM 512 CZ PHE A 33 -8.746 -6.847 -2.956 1.00 15.05 C ATOM 0 H PHE A 33 -5.425 -11.273 -6.644 1.00 11.23 H new ATOM 0 HA PHE A 33 -7.390 -9.402 -7.385 1.00 21.30 H new ATOM 0 HB2 PHE A 33 -7.832 -10.759 -5.505 1.00 53.44 H new ATOM 0 HB3 PHE A 33 -6.262 -10.456 -4.787 1.00 53.44 H new ATOM 0 HD1 PHE A 33 -9.243 -8.447 -5.876 1.00 55.30 H new ATOM 0 HD2 PHE A 33 -6.240 -9.102 -2.922 1.00 4.15 H new ATOM 0 HE1 PHE A 33 -10.186 -6.629 -4.520 1.00 22.50 H new ATOM 0 HE2 PHE A 33 -7.193 -7.293 -1.555 1.00 41.22 H new ATOM 0 HZ PHE A 33 -9.160 -6.048 -2.359 1.00 15.05 H new ATOM 522 N ARG A 34 -4.767 -8.080 -5.846 1.00 40.30 N ATOM 523 CA ARG A 34 -4.083 -6.815 -5.600 1.00 62.35 C ATOM 524 C ARG A 34 -3.648 -6.203 -6.923 1.00 30.22 C ATOM 525 O ARG A 34 -3.811 -5.000 -7.152 1.00 53.32 O ATOM 526 CB ARG A 34 -2.863 -7.028 -4.708 1.00 74.34 C ATOM 527 CG ARG A 34 -2.370 -5.762 -4.031 1.00 42.45 C ATOM 528 CD ARG A 34 -3.242 -5.397 -2.830 1.00 1.13 C ATOM 529 NE ARG A 34 -3.622 -6.579 -2.042 1.00 72.12 N ATOM 530 CZ ARG A 34 -3.537 -6.670 -0.706 1.00 2.23 C ATOM 531 NH1 ARG A 34 -3.031 -5.679 0.016 1.00 32.14 N ATOM 532 NH2 ARG A 34 -3.962 -7.764 -0.088 1.00 50.11 N ATOM 0 H ARG A 34 -4.310 -8.896 -5.438 1.00 40.30 H new ATOM 0 HA ARG A 34 -4.772 -6.140 -5.093 1.00 62.35 H new ATOM 0 HB2 ARG A 34 -3.108 -7.766 -3.944 1.00 74.34 H new ATOM 0 HB3 ARG A 34 -2.055 -7.446 -5.308 1.00 74.34 H new ATOM 0 HG2 ARG A 34 -1.339 -5.899 -3.706 1.00 42.45 H new ATOM 0 HG3 ARG A 34 -2.372 -4.940 -4.747 1.00 42.45 H new ATOM 0 HD2 ARG A 34 -2.705 -4.695 -2.193 1.00 1.13 H new ATOM 0 HD3 ARG A 34 -4.142 -4.889 -3.177 1.00 1.13 H new ATOM 0 HE ARG A 34 -3.977 -7.390 -2.549 1.00 72.12 H new ATOM 0 HH11 ARG A 34 -2.699 -4.831 -0.444 1.00 32.14 H new ATOM 0 HH12 ARG A 34 -2.974 -5.765 1.031 1.00 32.14 H new ATOM 0 HH21 ARG A 34 -4.353 -8.536 -0.628 1.00 50.11 H new ATOM 0 HH22 ARG A 34 -3.898 -7.834 0.928 1.00 50.11 H new ATOM 546 N ARG A 35 -3.095 -7.052 -7.784 1.00 22.32 N ATOM 547 CA ARG A 35 -2.709 -6.648 -9.123 1.00 23.04 C ATOM 548 C ARG A 35 -3.908 -6.066 -9.861 1.00 73.43 C ATOM 549 O ARG A 35 -3.908 -4.898 -10.208 1.00 2.31 O ATOM 550 CB ARG A 35 -2.113 -7.848 -9.883 1.00 5.12 C ATOM 551 CG ARG A 35 -2.034 -7.668 -11.395 1.00 22.34 C ATOM 552 CD ARG A 35 -1.144 -6.504 -11.802 1.00 14.03 C ATOM 553 NE ARG A 35 0.284 -6.789 -11.636 1.00 23.23 N ATOM 554 CZ ARG A 35 1.252 -5.911 -11.913 1.00 1.14 C ATOM 555 NH1 ARG A 35 0.949 -4.685 -12.312 1.00 41.40 N ATOM 556 NH2 ARG A 35 2.526 -6.260 -11.788 1.00 33.12 N ATOM 0 H ARG A 35 -2.905 -8.031 -7.571 1.00 22.32 H new ATOM 0 HA ARG A 35 -1.945 -5.873 -9.060 1.00 23.04 H new ATOM 0 HB2 ARG A 35 -1.111 -8.041 -9.501 1.00 5.12 H new ATOM 0 HB3 ARG A 35 -2.713 -8.732 -9.667 1.00 5.12 H new ATOM 0 HG2 ARG A 35 -1.655 -8.585 -11.847 1.00 22.34 H new ATOM 0 HG3 ARG A 35 -3.037 -7.509 -11.791 1.00 22.34 H new ATOM 0 HD2 ARG A 35 -1.340 -6.251 -12.844 1.00 14.03 H new ATOM 0 HD3 ARG A 35 -1.406 -5.629 -11.207 1.00 14.03 H new ATOM 0 HE ARG A 35 0.554 -7.710 -11.289 1.00 23.23 H new ATOM 0 HH11 ARG A 35 -0.028 -4.407 -12.409 1.00 41.40 H new ATOM 0 HH12 ARG A 35 1.692 -4.019 -12.522 1.00 41.40 H new ATOM 0 HH21 ARG A 35 2.769 -7.201 -11.480 1.00 33.12 H new ATOM 0 HH22 ARG A 35 3.262 -5.587 -12.000 1.00 33.12 H new ATOM 570 N ARG A 36 -4.938 -6.869 -10.043 1.00 12.12 N ATOM 571 CA ARG A 36 -6.098 -6.469 -10.828 1.00 73.44 C ATOM 572 C ARG A 36 -6.687 -5.159 -10.317 1.00 72.21 C ATOM 573 O ARG A 36 -6.865 -4.219 -11.079 1.00 52.23 O ATOM 574 CB ARG A 36 -7.160 -7.567 -10.779 1.00 41.12 C ATOM 575 CG ARG A 36 -8.175 -7.501 -11.907 1.00 12.31 C ATOM 576 CD ARG A 36 -7.506 -7.705 -13.258 1.00 5.32 C ATOM 577 NE ARG A 36 -6.666 -8.907 -13.276 1.00 13.11 N ATOM 578 CZ ARG A 36 -5.989 -9.329 -14.344 1.00 23.11 C ATOM 579 NH1 ARG A 36 -6.103 -8.694 -15.507 1.00 34.20 N ATOM 580 NH2 ARG A 36 -5.208 -10.399 -14.250 1.00 22.44 N ATOM 0 H ARG A 36 -4.998 -7.811 -9.656 1.00 12.12 H new ATOM 0 HA ARG A 36 -5.774 -6.317 -11.858 1.00 73.44 H new ATOM 0 HB2 ARG A 36 -6.665 -8.538 -10.807 1.00 41.12 H new ATOM 0 HB3 ARG A 36 -7.687 -7.505 -9.827 1.00 41.12 H new ATOM 0 HG2 ARG A 36 -8.940 -8.263 -11.757 1.00 12.31 H new ATOM 0 HG3 ARG A 36 -8.680 -6.535 -11.890 1.00 12.31 H new ATOM 0 HD2 ARG A 36 -8.269 -7.783 -14.033 1.00 5.32 H new ATOM 0 HD3 ARG A 36 -6.897 -6.833 -13.497 1.00 5.32 H new ATOM 0 HE ARG A 36 -6.595 -9.454 -12.418 1.00 13.11 H new ATOM 0 HH11 ARG A 36 -6.711 -7.879 -15.586 1.00 34.20 H new ATOM 0 HH12 ARG A 36 -5.582 -9.022 -16.320 1.00 34.20 H new ATOM 0 HH21 ARG A 36 -5.128 -10.895 -13.363 1.00 22.44 H new ATOM 0 HH22 ARG A 36 -4.689 -10.725 -15.065 1.00 22.44 H new ATOM 594 N ALA A 37 -6.924 -5.087 -9.016 1.00 42.21 N ATOM 595 CA ALA A 37 -7.652 -3.969 -8.430 1.00 20.00 C ATOM 596 C ALA A 37 -6.862 -2.668 -8.508 1.00 52.41 C ATOM 597 O ALA A 37 -7.223 -1.752 -9.250 1.00 70.14 O ATOM 598 CB ALA A 37 -8.023 -4.282 -6.987 1.00 21.24 C ATOM 0 H ALA A 37 -6.622 -5.792 -8.343 1.00 42.21 H new ATOM 0 HA ALA A 37 -8.563 -3.829 -9.012 1.00 20.00 H new ATOM 0 HB1 ALA A 37 -8.567 -3.439 -6.560 1.00 21.24 H new ATOM 0 HB2 ALA A 37 -8.652 -5.172 -6.958 1.00 21.24 H new ATOM 0 HB3 ALA A 37 -7.116 -4.460 -6.409 1.00 21.24 H new ATOM 604 N LEU A 38 -5.762 -2.600 -7.769 1.00 3.42 N ATOM 605 CA LEU A 38 -5.027 -1.349 -7.619 1.00 21.03 C ATOM 606 C LEU A 38 -4.393 -0.946 -8.940 1.00 54.45 C ATOM 607 O LEU A 38 -4.394 0.227 -9.330 1.00 32.13 O ATOM 608 CB LEU A 38 -3.947 -1.470 -6.534 1.00 64.43 C ATOM 609 CG LEU A 38 -4.446 -1.497 -5.082 1.00 33.15 C ATOM 610 CD1 LEU A 38 -5.248 -2.758 -4.795 1.00 71.45 C ATOM 611 CD2 LEU A 38 -3.275 -1.389 -4.119 1.00 33.32 C ATOM 0 H LEU A 38 -5.360 -3.391 -7.266 1.00 3.42 H new ATOM 0 HA LEU A 38 -5.735 -0.578 -7.314 1.00 21.03 H new ATOM 0 HB2 LEU A 38 -3.377 -2.381 -6.718 1.00 64.43 H new ATOM 0 HB3 LEU A 38 -3.256 -0.634 -6.643 1.00 64.43 H new ATOM 0 HG LEU A 38 -5.104 -0.640 -4.939 1.00 33.15 H new ATOM 0 HD11 LEU A 38 -5.586 -2.746 -3.759 1.00 71.45 H new ATOM 0 HD12 LEU A 38 -6.112 -2.799 -5.459 1.00 71.45 H new ATOM 0 HD13 LEU A 38 -4.621 -3.634 -4.962 1.00 71.45 H new ATOM 0 HD21 LEU A 38 -3.644 -1.409 -3.094 1.00 33.32 H new ATOM 0 HD22 LEU A 38 -2.596 -2.227 -4.277 1.00 33.32 H new ATOM 0 HD23 LEU A 38 -2.744 -0.453 -4.295 1.00 33.32 H new ATOM 623 N THR A 39 -3.879 -1.933 -9.643 1.00 60.41 N ATOM 624 CA THR A 39 -3.162 -1.686 -10.870 1.00 72.21 C ATOM 625 C THR A 39 -4.083 -1.155 -11.966 1.00 11.22 C ATOM 626 O THR A 39 -3.730 -0.204 -12.668 1.00 23.34 O ATOM 627 CB THR A 39 -2.471 -2.964 -11.348 1.00 72.12 C ATOM 628 OG1 THR A 39 -1.570 -3.441 -10.344 1.00 32.03 O ATOM 629 CG2 THR A 39 -1.725 -2.733 -12.632 1.00 1.02 C ATOM 0 H THR A 39 -3.946 -2.917 -9.382 1.00 60.41 H new ATOM 0 HA THR A 39 -2.412 -0.923 -10.662 1.00 72.21 H new ATOM 0 HB THR A 39 -3.241 -3.713 -11.531 1.00 72.12 H new ATOM 0 HG1 THR A 39 -0.660 -3.468 -10.707 1.00 32.03 H new ATOM 0 HG21 THR A 39 -1.245 -3.660 -12.946 1.00 1.02 H new ATOM 0 HG22 THR A 39 -2.422 -2.406 -13.404 1.00 1.02 H new ATOM 0 HG23 THR A 39 -0.967 -1.965 -12.479 1.00 1.02 H new ATOM 637 N VAL A 40 -5.270 -1.743 -12.094 1.00 61.23 N ATOM 638 CA VAL A 40 -6.163 -1.374 -13.182 1.00 4.33 C ATOM 639 C VAL A 40 -6.869 -0.053 -12.898 1.00 33.23 C ATOM 640 O VAL A 40 -7.291 0.635 -13.830 1.00 32.11 O ATOM 641 CB VAL A 40 -7.204 -2.477 -13.485 1.00 0.24 C ATOM 642 CG1 VAL A 40 -8.474 -2.308 -12.659 1.00 62.44 C ATOM 643 CG2 VAL A 40 -7.522 -2.514 -14.973 1.00 53.30 C ATOM 0 H VAL A 40 -5.629 -2.464 -11.468 1.00 61.23 H new ATOM 0 HA VAL A 40 -5.537 -1.254 -14.066 1.00 4.33 H new ATOM 0 HB VAL A 40 -6.763 -3.432 -13.199 1.00 0.24 H new ATOM 0 HG11 VAL A 40 -9.176 -3.104 -12.905 1.00 62.44 H new ATOM 0 HG12 VAL A 40 -8.227 -2.356 -11.598 1.00 62.44 H new ATOM 0 HG13 VAL A 40 -8.928 -1.342 -12.883 1.00 62.44 H new ATOM 0 HG21 VAL A 40 -8.256 -3.296 -15.169 1.00 53.30 H new ATOM 0 HG22 VAL A 40 -7.927 -1.550 -15.283 1.00 53.30 H new ATOM 0 HG23 VAL A 40 -6.611 -2.723 -15.535 1.00 53.30 H new ATOM 653 N VAL A 41 -7.013 0.310 -11.621 1.00 51.23 N ATOM 654 CA VAL A 41 -7.625 1.588 -11.304 1.00 34.24 C ATOM 655 C VAL A 41 -6.687 2.736 -11.663 1.00 40.13 C ATOM 656 O VAL A 41 -7.099 3.636 -12.391 1.00 2.20 O ATOM 657 CB VAL A 41 -8.114 1.714 -9.835 1.00 74.05 C ATOM 658 CG1 VAL A 41 -9.229 0.720 -9.555 1.00 1.41 C ATOM 659 CG2 VAL A 41 -6.987 1.539 -8.832 1.00 74.33 C ATOM 0 H VAL A 41 -6.722 -0.247 -10.818 1.00 51.23 H new ATOM 0 HA VAL A 41 -8.524 1.646 -11.917 1.00 34.24 H new ATOM 0 HB VAL A 41 -8.499 2.727 -9.715 1.00 74.05 H new ATOM 0 HG11 VAL A 41 -9.558 0.824 -8.521 1.00 1.41 H new ATOM 0 HG12 VAL A 41 -10.067 0.916 -10.224 1.00 1.41 H new ATOM 0 HG13 VAL A 41 -8.863 -0.293 -9.719 1.00 1.41 H new ATOM 0 HG21 VAL A 41 -7.382 1.636 -7.821 1.00 74.33 H new ATOM 0 HG22 VAL A 41 -6.541 0.552 -8.954 1.00 74.33 H new ATOM 0 HG23 VAL A 41 -6.228 2.303 -9.000 1.00 74.33 H new ATOM 669 N ASP A 42 -5.423 2.695 -11.200 1.00 11.32 N ATOM 670 CA ASP A 42 -4.468 3.764 -11.548 1.00 72.41 C ATOM 671 C ASP A 42 -3.082 3.575 -10.926 1.00 25.05 C ATOM 672 O ASP A 42 -2.293 4.514 -10.916 1.00 2.51 O ATOM 673 CB ASP A 42 -4.999 5.125 -11.090 1.00 64.00 C ATOM 674 CG ASP A 42 -5.255 6.087 -12.236 1.00 0.30 C ATOM 675 OD1 ASP A 42 -4.290 6.491 -12.914 1.00 33.22 O ATOM 676 OD2 ASP A 42 -6.432 6.449 -12.464 1.00 55.51 O ATOM 0 H ASP A 42 -5.048 1.958 -10.603 1.00 11.32 H new ATOM 0 HA ASP A 42 -4.366 3.717 -12.632 1.00 72.41 H new ATOM 0 HB2 ASP A 42 -5.925 4.978 -10.535 1.00 64.00 H new ATOM 0 HB3 ASP A 42 -4.283 5.574 -10.402 1.00 64.00 H new ATOM 681 N GLN A 43 -2.755 2.394 -10.417 1.00 65.52 N ATOM 682 CA GLN A 43 -1.477 2.243 -9.718 1.00 51.21 C ATOM 683 C GLN A 43 -0.314 2.006 -10.688 1.00 52.43 C ATOM 684 O GLN A 43 0.842 2.201 -10.332 1.00 44.32 O ATOM 685 CB GLN A 43 -1.537 1.144 -8.645 1.00 72.22 C ATOM 686 CG GLN A 43 -0.871 -0.168 -9.032 1.00 73.12 C ATOM 687 CD GLN A 43 -0.654 -1.081 -7.837 1.00 54.34 C ATOM 688 OE1 GLN A 43 -0.499 -0.624 -6.707 1.00 64.23 O ATOM 689 NE2 GLN A 43 -0.620 -2.379 -8.078 1.00 22.33 N ATOM 0 H GLN A 43 -3.330 1.553 -10.469 1.00 65.52 H new ATOM 0 HA GLN A 43 -1.288 3.189 -9.210 1.00 51.21 H new ATOM 0 HB2 GLN A 43 -1.067 1.519 -7.736 1.00 72.22 H new ATOM 0 HB3 GLN A 43 -2.582 0.947 -8.406 1.00 72.22 H new ATOM 0 HG2 GLN A 43 -1.487 -0.681 -9.771 1.00 73.12 H new ATOM 0 HG3 GLN A 43 0.088 0.040 -9.506 1.00 73.12 H new ATOM 0 HE21 GLN A 43 -0.753 -2.725 -9.028 1.00 22.33 H new ATOM 0 HE22 GLN A 43 -0.461 -3.036 -7.314 1.00 22.33 H new ATOM 698 N ASP A 44 -0.611 1.604 -11.917 1.00 42.12 N ATOM 699 CA ASP A 44 0.452 1.412 -12.907 1.00 65.42 C ATOM 700 C ASP A 44 -0.036 1.702 -14.332 1.00 1.24 C ATOM 701 O ASP A 44 -0.144 0.800 -15.161 1.00 11.13 O ATOM 702 CB ASP A 44 1.027 -0.008 -12.802 1.00 14.35 C ATOM 703 CG ASP A 44 2.148 -0.273 -13.791 1.00 1.21 C ATOM 704 OD1 ASP A 44 3.092 0.541 -13.866 1.00 15.41 O ATOM 705 OD2 ASP A 44 2.097 -1.309 -14.493 1.00 12.11 O ATOM 0 H ASP A 44 -1.554 1.407 -12.251 1.00 42.12 H new ATOM 0 HA ASP A 44 1.244 2.128 -12.688 1.00 65.42 H new ATOM 0 HB2 ASP A 44 1.398 -0.169 -11.790 1.00 14.35 H new ATOM 0 HB3 ASP A 44 0.227 -0.730 -12.967 1.00 14.35 H new ATOM 710 N PRO A 45 -0.411 2.964 -14.617 1.00 42.24 N ATOM 711 CA PRO A 45 -0.750 3.407 -15.966 1.00 61.40 C ATOM 712 C PRO A 45 0.380 4.191 -16.653 1.00 71.02 C ATOM 713 O PRO A 45 0.413 4.307 -17.877 1.00 45.20 O ATOM 714 CB PRO A 45 -1.943 4.323 -15.700 1.00 62.50 C ATOM 715 CG PRO A 45 -1.675 4.936 -14.355 1.00 2.43 C ATOM 716 CD PRO A 45 -0.640 4.045 -13.648 1.00 13.21 C ATOM 0 HA PRO A 45 -0.943 2.573 -16.640 1.00 61.40 H new ATOM 0 HB2 PRO A 45 -2.032 5.088 -16.471 1.00 62.50 H new ATOM 0 HB3 PRO A 45 -2.878 3.762 -15.698 1.00 62.50 H new ATOM 0 HG2 PRO A 45 -1.297 5.953 -14.464 1.00 2.43 H new ATOM 0 HG3 PRO A 45 -2.593 4.998 -13.770 1.00 2.43 H new ATOM 0 HD2 PRO A 45 0.278 4.590 -13.428 1.00 13.21 H new ATOM 0 HD3 PRO A 45 -1.018 3.663 -12.700 1.00 13.21 H new ATOM 724 N GLY A 46 1.311 4.716 -15.861 1.00 52.12 N ATOM 725 CA GLY A 46 2.344 5.586 -16.391 1.00 34.23 C ATOM 726 C GLY A 46 2.460 6.867 -15.584 1.00 75.04 C ATOM 727 O GLY A 46 2.951 6.851 -14.454 1.00 54.34 O ATOM 0 H GLY A 46 1.367 4.552 -14.856 1.00 52.12 H new ATOM 0 HA2 GLY A 46 3.300 5.063 -16.385 1.00 34.23 H new ATOM 0 HA3 GLY A 46 2.120 5.828 -17.430 1.00 34.23 H new ATOM 731 N GLN A 47 2.004 7.974 -16.156 1.00 75.24 N ATOM 732 CA GLN A 47 2.009 9.258 -15.463 1.00 63.24 C ATOM 733 C GLN A 47 0.879 9.311 -14.441 1.00 62.35 C ATOM 734 O GLN A 47 -0.289 9.453 -14.800 1.00 0.44 O ATOM 735 CB GLN A 47 1.863 10.408 -16.465 1.00 15.34 C ATOM 736 CG GLN A 47 1.873 11.788 -15.822 1.00 33.35 C ATOM 737 CD GLN A 47 1.624 12.912 -16.813 1.00 32.03 C ATOM 738 OE1 GLN A 47 2.122 14.022 -16.640 1.00 24.30 O ATOM 739 NE2 GLN A 47 0.844 12.640 -17.851 1.00 24.32 N ATOM 0 H GLN A 47 1.624 8.009 -17.102 1.00 75.24 H new ATOM 0 HA GLN A 47 2.961 9.365 -14.943 1.00 63.24 H new ATOM 0 HB2 GLN A 47 2.674 10.350 -17.191 1.00 15.34 H new ATOM 0 HB3 GLN A 47 0.931 10.281 -17.016 1.00 15.34 H new ATOM 0 HG2 GLN A 47 1.112 11.824 -15.043 1.00 33.35 H new ATOM 0 HG3 GLN A 47 2.835 11.948 -15.335 1.00 33.35 H new ATOM 0 HE21 GLN A 47 0.449 11.706 -17.961 1.00 24.32 H new ATOM 0 HE22 GLN A 47 0.640 13.365 -18.539 1.00 24.32 H new ATOM 748 N VAL A 48 1.234 9.180 -13.171 1.00 11.22 N ATOM 749 CA VAL A 48 0.249 9.158 -12.101 1.00 4.24 C ATOM 750 C VAL A 48 0.899 9.497 -10.763 1.00 44.30 C ATOM 751 O VAL A 48 1.974 8.994 -10.447 1.00 51.21 O ATOM 752 CB VAL A 48 -0.431 7.771 -12.006 1.00 3.32 C ATOM 753 CG1 VAL A 48 0.606 6.670 -11.817 1.00 61.35 C ATOM 754 CG2 VAL A 48 -1.455 7.743 -10.881 1.00 74.24 C ATOM 0 H VAL A 48 2.200 9.087 -12.856 1.00 11.22 H new ATOM 0 HA VAL A 48 -0.507 9.908 -12.332 1.00 4.24 H new ATOM 0 HB VAL A 48 -0.954 7.589 -12.945 1.00 3.32 H new ATOM 0 HG11 VAL A 48 0.104 5.705 -11.753 1.00 61.35 H new ATOM 0 HG12 VAL A 48 1.292 6.667 -12.664 1.00 61.35 H new ATOM 0 HG13 VAL A 48 1.165 6.850 -10.899 1.00 61.35 H new ATOM 0 HG21 VAL A 48 -1.919 6.758 -10.835 1.00 74.24 H new ATOM 0 HG22 VAL A 48 -0.960 7.956 -9.933 1.00 74.24 H new ATOM 0 HG23 VAL A 48 -2.221 8.496 -11.067 1.00 74.24 H new ATOM 764 N GLU A 49 0.261 10.374 -9.999 1.00 11.42 N ATOM 765 CA GLU A 49 0.691 10.651 -8.638 1.00 45.43 C ATOM 766 C GLU A 49 -0.223 9.909 -7.676 1.00 2.15 C ATOM 767 O GLU A 49 -1.409 10.229 -7.554 1.00 11.15 O ATOM 768 CB GLU A 49 0.661 12.152 -8.340 1.00 40.24 C ATOM 769 CG GLU A 49 1.246 12.510 -6.984 1.00 45.03 C ATOM 770 CD GLU A 49 1.013 13.961 -6.611 1.00 60.33 C ATOM 771 OE1 GLU A 49 1.273 14.845 -7.455 1.00 42.34 O ATOM 772 OE2 GLU A 49 0.567 14.220 -5.472 1.00 2.42 O ATOM 0 H GLU A 49 -0.556 10.905 -10.300 1.00 11.42 H new ATOM 0 HA GLU A 49 1.720 10.312 -8.516 1.00 45.43 H new ATOM 0 HB2 GLU A 49 1.214 12.680 -9.117 1.00 40.24 H new ATOM 0 HB3 GLU A 49 -0.370 12.504 -8.387 1.00 40.24 H new ATOM 0 HG2 GLU A 49 0.805 11.868 -6.222 1.00 45.03 H new ATOM 0 HG3 GLU A 49 2.317 12.308 -6.990 1.00 45.03 H new ATOM 779 N TRP A 50 0.314 8.910 -7.005 1.00 12.30 N ATOM 780 CA TRP A 50 -0.511 8.061 -6.170 1.00 72.41 C ATOM 781 C TRP A 50 0.265 7.568 -4.972 1.00 72.55 C ATOM 782 O TRP A 50 1.491 7.711 -4.904 1.00 32.31 O ATOM 783 CB TRP A 50 -1.049 6.871 -6.977 1.00 41.33 C ATOM 784 CG TRP A 50 0.004 5.940 -7.506 1.00 44.53 C ATOM 785 CD1 TRP A 50 0.851 6.165 -8.553 1.00 22.35 C ATOM 786 CD2 TRP A 50 0.303 4.623 -7.028 1.00 54.55 C ATOM 787 NE1 TRP A 50 1.663 5.076 -8.747 1.00 0.40 N ATOM 788 CE2 TRP A 50 1.346 4.116 -7.824 1.00 35.40 C ATOM 789 CE3 TRP A 50 -0.207 3.826 -6.000 1.00 61.44 C ATOM 790 CZ2 TRP A 50 1.891 2.850 -7.620 1.00 11.53 C ATOM 791 CZ3 TRP A 50 0.333 2.568 -5.803 1.00 22.10 C ATOM 792 CH2 TRP A 50 1.371 2.091 -6.611 1.00 11.25 C ATOM 0 H TRP A 50 1.305 8.668 -7.020 1.00 12.30 H new ATOM 0 HA TRP A 50 -1.354 8.654 -5.815 1.00 72.41 H new ATOM 0 HB2 TRP A 50 -1.733 6.303 -6.347 1.00 41.33 H new ATOM 0 HB3 TRP A 50 -1.631 7.253 -7.816 1.00 41.33 H new ATOM 0 HD1 TRP A 50 0.878 7.069 -9.143 1.00 22.35 H new ATOM 0 HE1 TRP A 50 2.385 4.995 -9.463 1.00 0.40 H new ATOM 0 HE3 TRP A 50 -1.008 4.186 -5.371 1.00 61.44 H new ATOM 0 HZ2 TRP A 50 2.696 2.482 -8.238 1.00 11.53 H new ATOM 0 HZ3 TRP A 50 -0.053 1.943 -5.012 1.00 22.10 H new ATOM 0 HH2 TRP A 50 1.769 1.103 -6.433 1.00 11.25 H new ATOM 803 N PHE A 51 -0.447 7.012 -4.013 1.00 72.43 N ATOM 804 CA PHE A 51 0.203 6.381 -2.900 1.00 44.31 C ATOM 805 C PHE A 51 -0.733 5.434 -2.164 1.00 72.13 C ATOM 806 O PHE A 51 -1.963 5.583 -2.189 1.00 33.54 O ATOM 807 CB PHE A 51 0.821 7.426 -1.962 1.00 51.34 C ATOM 808 CG PHE A 51 -0.124 8.259 -1.135 1.00 32.33 C ATOM 809 CD1 PHE A 51 -0.639 7.765 0.053 1.00 30.32 C ATOM 810 CD2 PHE A 51 -0.432 9.557 -1.505 1.00 44.34 C ATOM 811 CE1 PHE A 51 -1.437 8.541 0.854 1.00 52.43 C ATOM 812 CE2 PHE A 51 -1.246 10.340 -0.711 1.00 22.34 C ATOM 813 CZ PHE A 51 -1.746 9.834 0.476 1.00 13.43 C ATOM 0 H PHE A 51 -1.466 6.988 -3.988 1.00 72.43 H new ATOM 0 HA PHE A 51 1.017 5.771 -3.291 1.00 44.31 H new ATOM 0 HB2 PHE A 51 1.499 6.910 -1.282 1.00 51.34 H new ATOM 0 HB3 PHE A 51 1.428 8.102 -2.564 1.00 51.34 H new ATOM 0 HD1 PHE A 51 -0.408 6.753 0.353 1.00 30.32 H new ATOM 0 HD2 PHE A 51 -0.032 9.961 -2.423 1.00 44.34 H new ATOM 0 HE1 PHE A 51 -1.824 8.142 1.780 1.00 52.43 H new ATOM 0 HE2 PHE A 51 -1.492 11.346 -1.016 1.00 22.34 H new ATOM 0 HZ PHE A 51 -2.375 10.447 1.104 1.00 13.43 H new ATOM 823 N VAL A 52 -0.137 4.437 -1.541 1.00 33.43 N ATOM 824 CA VAL A 52 -0.889 3.443 -0.799 1.00 63.45 C ATOM 825 C VAL A 52 -0.622 3.599 0.688 1.00 45.32 C ATOM 826 O VAL A 52 0.529 3.758 1.110 1.00 0.21 O ATOM 827 CB VAL A 52 -0.554 2.002 -1.265 1.00 14.11 C ATOM 828 CG1 VAL A 52 -0.864 1.830 -2.744 1.00 3.33 C ATOM 829 CG2 VAL A 52 0.898 1.646 -0.991 1.00 64.33 C ATOM 0 H VAL A 52 0.873 4.293 -1.534 1.00 33.43 H new ATOM 0 HA VAL A 52 -1.949 3.607 -0.994 1.00 63.45 H new ATOM 0 HB VAL A 52 -1.181 1.321 -0.689 1.00 14.11 H new ATOM 0 HG11 VAL A 52 -0.622 0.812 -3.051 1.00 3.33 H new ATOM 0 HG12 VAL A 52 -1.923 2.019 -2.918 1.00 3.33 H new ATOM 0 HG13 VAL A 52 -0.269 2.535 -3.325 1.00 3.33 H new ATOM 0 HG21 VAL A 52 1.094 0.629 -1.331 1.00 64.33 H new ATOM 0 HG22 VAL A 52 1.549 2.339 -1.524 1.00 64.33 H new ATOM 0 HG23 VAL A 52 1.094 1.714 0.079 1.00 64.33 H new ATOM 839 N LEU A 53 -1.679 3.585 1.487 1.00 14.02 N ATOM 840 CA LEU A 53 -1.524 3.822 2.905 1.00 74.52 C ATOM 841 C LEU A 53 -2.612 3.146 3.749 1.00 23.52 C ATOM 842 O LEU A 53 -3.773 2.993 3.326 1.00 23.44 O ATOM 843 CB LEU A 53 -1.397 5.335 3.162 1.00 24.33 C ATOM 844 CG LEU A 53 -2.655 6.228 3.130 1.00 45.12 C ATOM 845 CD1 LEU A 53 -3.636 5.822 2.042 1.00 23.02 C ATOM 846 CD2 LEU A 53 -3.319 6.272 4.494 1.00 35.21 C ATOM 0 H LEU A 53 -2.636 3.414 1.179 1.00 14.02 H new ATOM 0 HA LEU A 53 -0.601 3.347 3.236 1.00 74.52 H new ATOM 0 HB2 LEU A 53 -0.934 5.460 4.141 1.00 24.33 H new ATOM 0 HB3 LEU A 53 -0.698 5.732 2.426 1.00 24.33 H new ATOM 0 HG LEU A 53 -2.325 7.236 2.879 1.00 45.12 H new ATOM 0 HD11 LEU A 53 -4.501 6.484 2.067 1.00 23.02 H new ATOM 0 HD12 LEU A 53 -3.151 5.895 1.069 1.00 23.02 H new ATOM 0 HD13 LEU A 53 -3.961 4.795 2.209 1.00 23.02 H new ATOM 0 HD21 LEU A 53 -4.204 6.907 4.448 1.00 35.21 H new ATOM 0 HD22 LEU A 53 -3.611 5.264 4.789 1.00 35.21 H new ATOM 0 HD23 LEU A 53 -2.620 6.676 5.226 1.00 35.21 H new ATOM 858 N ASN A 54 -2.197 2.710 4.936 1.00 54.30 N ATOM 859 CA ASN A 54 -3.047 1.926 5.835 1.00 60.41 C ATOM 860 C ASN A 54 -4.046 2.787 6.595 1.00 3.05 C ATOM 861 O ASN A 54 -4.086 4.007 6.453 1.00 0.33 O ATOM 862 CB ASN A 54 -2.198 1.158 6.860 1.00 32.20 C ATOM 863 CG ASN A 54 -1.435 -0.014 6.272 1.00 54.42 C ATOM 864 OD1 ASN A 54 -1.027 0.008 5.116 1.00 45.44 O ATOM 865 ND2 ASN A 54 -1.247 -1.059 7.068 1.00 31.51 N ATOM 0 H ASN A 54 -1.263 2.889 5.304 1.00 54.30 H new ATOM 0 HA ASN A 54 -3.596 1.233 5.198 1.00 60.41 H new ATOM 0 HB2 ASN A 54 -1.489 1.847 7.319 1.00 32.20 H new ATOM 0 HB3 ASN A 54 -2.848 0.793 7.655 1.00 32.20 H new ATOM 0 HD21 ASN A 54 -0.749 -1.880 6.723 1.00 31.51 H new ATOM 0 HD22 ASN A 54 -1.601 -1.042 8.025 1.00 31.51 H new ATOM 872 N ALA A 55 -4.843 2.121 7.414 1.00 22.11 N ATOM 873 CA ALA A 55 -5.789 2.774 8.293 1.00 63.05 C ATOM 874 C ALA A 55 -5.901 1.971 9.580 1.00 53.42 C ATOM 875 O ALA A 55 -5.092 1.076 9.824 1.00 22.44 O ATOM 876 CB ALA A 55 -7.150 2.896 7.620 1.00 32.43 C ATOM 0 H ALA A 55 -4.849 1.104 7.485 1.00 22.11 H new ATOM 0 HA ALA A 55 -5.438 3.781 8.520 1.00 63.05 H new ATOM 0 HB1 ALA A 55 -7.848 3.390 8.297 1.00 32.43 H new ATOM 0 HB2 ALA A 55 -7.053 3.483 6.707 1.00 32.43 H new ATOM 0 HB3 ALA A 55 -7.525 1.902 7.374 1.00 32.43 H new ATOM 882 N GLU A 56 -6.901 2.278 10.389 1.00 75.45 N ATOM 883 CA GLU A 56 -7.133 1.558 11.637 1.00 41.45 C ATOM 884 C GLU A 56 -7.782 0.201 11.349 1.00 43.40 C ATOM 885 O GLU A 56 -7.879 -0.661 12.222 1.00 24.33 O ATOM 886 CB GLU A 56 -8.036 2.399 12.550 1.00 40.03 C ATOM 887 CG GLU A 56 -8.160 1.876 13.974 1.00 43.15 C ATOM 888 CD GLU A 56 -6.846 1.923 14.729 1.00 63.12 C ATOM 889 OE1 GLU A 56 -6.239 3.012 14.811 1.00 2.55 O ATOM 890 OE2 GLU A 56 -6.418 0.877 15.257 1.00 52.23 O ATOM 0 H GLU A 56 -7.571 3.025 10.205 1.00 75.45 H new ATOM 0 HA GLU A 56 -6.180 1.385 12.138 1.00 41.45 H new ATOM 0 HB2 GLU A 56 -7.649 3.418 12.583 1.00 40.03 H new ATOM 0 HB3 GLU A 56 -9.031 2.450 12.108 1.00 40.03 H new ATOM 0 HG2 GLU A 56 -8.904 2.465 14.510 1.00 43.15 H new ATOM 0 HG3 GLU A 56 -8.524 0.849 13.949 1.00 43.15 H new ATOM 897 N SER A 57 -8.200 0.016 10.105 1.00 72.03 N ATOM 898 CA SER A 57 -8.992 -1.145 9.727 1.00 74.55 C ATOM 899 C SER A 57 -8.136 -2.322 9.240 1.00 52.34 C ATOM 900 O SER A 57 -8.421 -3.474 9.574 1.00 23.23 O ATOM 901 CB SER A 57 -9.992 -0.736 8.646 1.00 74.34 C ATOM 902 OG SER A 57 -10.732 0.407 9.049 1.00 34.04 O ATOM 0 H SER A 57 -8.003 0.658 9.338 1.00 72.03 H new ATOM 0 HA SER A 57 -9.514 -1.493 10.619 1.00 74.55 H new ATOM 0 HB2 SER A 57 -9.463 -0.523 7.717 1.00 74.34 H new ATOM 0 HB3 SER A 57 -10.673 -1.563 8.443 1.00 74.34 H new ATOM 0 HG SER A 57 -10.952 0.948 8.262 1.00 34.04 H new ATOM 908 N ASN A 58 -7.091 -2.056 8.456 1.00 42.23 N ATOM 909 CA ASN A 58 -6.314 -3.145 7.862 1.00 52.33 C ATOM 910 C ASN A 58 -5.204 -3.618 8.795 1.00 44.42 C ATOM 911 O ASN A 58 -4.120 -3.036 8.870 1.00 74.34 O ATOM 912 CB ASN A 58 -5.767 -2.785 6.466 1.00 51.32 C ATOM 913 CG ASN A 58 -4.897 -1.544 6.413 1.00 72.32 C ATOM 914 OD1 ASN A 58 -5.037 -0.623 7.216 1.00 41.21 O ATOM 915 ND2 ASN A 58 -4.005 -1.508 5.435 1.00 43.23 N ATOM 0 H ASN A 58 -6.768 -1.118 8.221 1.00 42.23 H new ATOM 0 HA ASN A 58 -7.003 -3.978 7.722 1.00 52.33 H new ATOM 0 HB2 ASN A 58 -5.190 -3.630 6.091 1.00 51.32 H new ATOM 0 HB3 ASN A 58 -6.609 -2.648 5.788 1.00 51.32 H new ATOM 0 HD21 ASN A 58 -3.400 -0.694 5.326 1.00 43.23 H new ATOM 0 HD22 ASN A 58 -3.922 -2.295 4.791 1.00 43.23 H new ATOM 922 N VAL A 59 -5.514 -4.680 9.524 1.00 63.40 N ATOM 923 CA VAL A 59 -4.607 -5.252 10.507 1.00 71.31 C ATOM 924 C VAL A 59 -4.532 -6.765 10.349 1.00 72.22 C ATOM 925 O VAL A 59 -3.462 -7.333 10.145 1.00 65.22 O ATOM 926 CB VAL A 59 -5.105 -4.955 11.929 1.00 32.33 C ATOM 927 CG1 VAL A 59 -4.163 -5.530 12.977 1.00 41.00 C ATOM 928 CG2 VAL A 59 -5.308 -3.461 12.148 1.00 52.25 C ATOM 0 H VAL A 59 -6.405 -5.171 9.450 1.00 63.40 H new ATOM 0 HA VAL A 59 -3.625 -4.807 10.347 1.00 71.31 H new ATOM 0 HB VAL A 59 -6.073 -5.444 12.041 1.00 32.33 H new ATOM 0 HG11 VAL A 59 -4.544 -5.302 13.973 1.00 41.00 H new ATOM 0 HG12 VAL A 59 -4.096 -6.611 12.852 1.00 41.00 H new ATOM 0 HG13 VAL A 59 -3.173 -5.089 12.858 1.00 41.00 H new ATOM 0 HG21 VAL A 59 -5.661 -3.287 13.165 1.00 52.25 H new ATOM 0 HG22 VAL A 59 -4.363 -2.939 11.998 1.00 52.25 H new ATOM 0 HG23 VAL A 59 -6.046 -3.086 11.439 1.00 52.25 H new ATOM 938 N GLU A 60 -5.692 -7.406 10.436 1.00 65.05 N ATOM 939 CA GLU A 60 -5.782 -8.857 10.386 1.00 11.30 C ATOM 940 C GLU A 60 -6.266 -9.263 9.015 1.00 13.41 C ATOM 941 O GLU A 60 -6.523 -10.430 8.734 1.00 25.32 O ATOM 942 CB GLU A 60 -6.767 -9.354 11.440 1.00 24.41 C ATOM 943 CG GLU A 60 -6.482 -8.830 12.835 1.00 41.24 C ATOM 944 CD GLU A 60 -7.505 -9.292 13.845 1.00 15.03 C ATOM 945 OE1 GLU A 60 -7.303 -10.363 14.449 1.00 73.12 O ATOM 946 OE2 GLU A 60 -8.516 -8.584 14.042 1.00 12.43 O ATOM 0 H GLU A 60 -6.591 -6.936 10.543 1.00 65.05 H new ATOM 0 HA GLU A 60 -4.803 -9.293 10.584 1.00 11.30 H new ATOM 0 HB2 GLU A 60 -7.776 -9.060 11.150 1.00 24.41 H new ATOM 0 HB3 GLU A 60 -6.746 -10.444 11.459 1.00 24.41 H new ATOM 0 HG2 GLU A 60 -5.492 -9.160 13.149 1.00 41.24 H new ATOM 0 HG3 GLU A 60 -6.463 -7.740 12.814 1.00 41.24 H new ATOM 953 N VAL A 61 -6.372 -8.263 8.164 1.00 14.21 N ATOM 954 CA VAL A 61 -6.995 -8.408 6.867 1.00 12.33 C ATOM 955 C VAL A 61 -6.039 -9.033 5.869 1.00 24.34 C ATOM 956 O VAL A 61 -6.448 -9.651 4.889 1.00 5.35 O ATOM 957 CB VAL A 61 -7.460 -7.029 6.343 1.00 33.00 C ATOM 958 CG1 VAL A 61 -8.111 -6.240 7.461 1.00 71.24 C ATOM 959 CG2 VAL A 61 -6.314 -6.235 5.736 1.00 75.43 C ATOM 0 H VAL A 61 -6.026 -7.323 8.355 1.00 14.21 H new ATOM 0 HA VAL A 61 -7.857 -9.065 6.980 1.00 12.33 H new ATOM 0 HB VAL A 61 -8.189 -7.206 5.552 1.00 33.00 H new ATOM 0 HG11 VAL A 61 -8.435 -5.271 7.082 1.00 71.24 H new ATOM 0 HG12 VAL A 61 -8.974 -6.788 7.839 1.00 71.24 H new ATOM 0 HG13 VAL A 61 -7.393 -6.092 8.268 1.00 71.24 H new ATOM 0 HG21 VAL A 61 -6.685 -5.274 5.381 1.00 75.43 H new ATOM 0 HG22 VAL A 61 -5.545 -6.071 6.491 1.00 75.43 H new ATOM 0 HG23 VAL A 61 -5.889 -6.791 4.900 1.00 75.43 H new ATOM 969 N ASP A 62 -4.767 -8.920 6.169 1.00 42.12 N ATOM 970 CA ASP A 62 -3.740 -9.108 5.176 1.00 52.43 C ATOM 971 C ASP A 62 -2.561 -9.869 5.780 1.00 0.33 C ATOM 972 O ASP A 62 -1.881 -9.361 6.670 1.00 51.45 O ATOM 973 CB ASP A 62 -3.339 -7.710 4.692 1.00 53.21 C ATOM 974 CG ASP A 62 -3.472 -7.525 3.184 1.00 53.42 C ATOM 975 OD1 ASP A 62 -4.090 -8.385 2.524 1.00 75.53 O ATOM 976 OD2 ASP A 62 -2.968 -6.509 2.652 1.00 0.15 O ATOM 0 H ASP A 62 -4.418 -8.697 7.101 1.00 42.12 H new ATOM 0 HA ASP A 62 -4.091 -9.704 4.334 1.00 52.43 H new ATOM 0 HB2 ASP A 62 -3.958 -6.968 5.197 1.00 53.21 H new ATOM 0 HB3 ASP A 62 -2.307 -7.516 4.984 1.00 53.21 H new ATOM 981 N LEU A 63 -2.347 -11.102 5.322 1.00 11.23 N ATOM 982 CA LEU A 63 -1.335 -11.972 5.925 1.00 55.41 C ATOM 983 C LEU A 63 -0.039 -11.950 5.103 1.00 15.12 C ATOM 984 O LEU A 63 0.675 -10.953 5.107 1.00 33.33 O ATOM 985 CB LEU A 63 -1.863 -13.408 6.075 1.00 12.43 C ATOM 986 CG LEU A 63 -3.239 -13.560 6.741 1.00 22.14 C ATOM 987 CD1 LEU A 63 -3.502 -15.016 7.089 1.00 31.21 C ATOM 988 CD2 LEU A 63 -3.359 -12.684 7.980 1.00 22.33 C ATOM 0 H LEU A 63 -2.855 -11.519 4.542 1.00 11.23 H new ATOM 0 HA LEU A 63 -1.112 -11.590 6.921 1.00 55.41 H new ATOM 0 HB2 LEU A 63 -1.910 -13.861 5.085 1.00 12.43 H new ATOM 0 HB3 LEU A 63 -1.138 -13.981 6.653 1.00 12.43 H new ATOM 0 HG LEU A 63 -3.993 -13.228 6.027 1.00 22.14 H new ATOM 0 HD11 LEU A 63 -4.481 -15.106 7.560 1.00 31.21 H new ATOM 0 HD12 LEU A 63 -3.480 -15.617 6.180 1.00 31.21 H new ATOM 0 HD13 LEU A 63 -2.734 -15.370 7.777 1.00 31.21 H new ATOM 0 HD21 LEU A 63 -4.345 -12.817 8.425 1.00 22.33 H new ATOM 0 HD22 LEU A 63 -2.593 -12.968 8.702 1.00 22.33 H new ATOM 0 HD23 LEU A 63 -3.225 -11.639 7.701 1.00 22.33 H new ATOM 1000 N THR A 64 0.244 -13.031 4.359 1.00 44.21 N ATOM 1001 CA THR A 64 1.409 -13.085 3.467 1.00 32.44 C ATOM 1002 C THR A 64 1.193 -12.146 2.272 1.00 3.44 C ATOM 1003 O THR A 64 2.017 -12.019 1.338 1.00 34.32 O ATOM 1004 CB THR A 64 1.647 -14.531 2.987 1.00 55.12 C ATOM 1005 OG1 THR A 64 1.521 -15.422 4.107 1.00 62.24 O ATOM 1006 CG2 THR A 64 3.031 -14.690 2.370 1.00 43.20 C ATOM 0 H THR A 64 -0.321 -13.880 4.359 1.00 44.21 H new ATOM 0 HA THR A 64 2.293 -12.757 4.014 1.00 32.44 H new ATOM 0 HB THR A 64 0.906 -14.768 2.224 1.00 55.12 H new ATOM 0 HG1 THR A 64 0.668 -15.901 4.049 1.00 62.24 H new ATOM 0 HG21 THR A 64 3.167 -15.721 2.042 1.00 43.20 H new ATOM 0 HG22 THR A 64 3.127 -14.021 1.515 1.00 43.20 H new ATOM 0 HG23 THR A 64 3.791 -14.442 3.111 1.00 43.20 H new ATOM 1014 N ALA A 65 0.073 -11.458 2.331 1.00 75.30 N ATOM 1015 CA ALA A 65 -0.245 -10.444 1.373 1.00 1.15 C ATOM 1016 C ALA A 65 0.808 -9.350 1.384 1.00 43.33 C ATOM 1017 O ALA A 65 0.927 -8.638 0.409 1.00 64.31 O ATOM 1018 CB ALA A 65 -1.616 -9.870 1.646 1.00 22.34 C ATOM 0 H ALA A 65 -0.638 -11.593 3.050 1.00 75.30 H new ATOM 0 HA ALA A 65 -0.255 -10.897 0.382 1.00 1.15 H new ATOM 0 HB1 ALA A 65 -1.842 -9.100 0.908 1.00 22.34 H new ATOM 0 HB2 ALA A 65 -2.361 -10.663 1.583 1.00 22.34 H new ATOM 0 HB3 ALA A 65 -1.635 -9.432 2.644 1.00 22.34 H new ATOM 1024 N LEU A 66 1.587 -9.222 2.473 1.00 31.42 N ATOM 1025 CA LEU A 66 2.666 -8.231 2.486 1.00 65.44 C ATOM 1026 C LEU A 66 3.675 -8.550 1.407 1.00 4.44 C ATOM 1027 O LEU A 66 4.214 -7.652 0.772 1.00 42.40 O ATOM 1028 CB LEU A 66 3.371 -8.058 3.861 1.00 11.21 C ATOM 1029 CG LEU A 66 4.287 -9.182 4.424 1.00 1.44 C ATOM 1030 CD1 LEU A 66 3.550 -10.500 4.569 1.00 54.04 C ATOM 1031 CD2 LEU A 66 5.549 -9.376 3.596 1.00 0.32 C ATOM 0 H LEU A 66 1.492 -9.774 3.326 1.00 31.42 H new ATOM 0 HA LEU A 66 2.190 -7.271 2.286 1.00 65.44 H new ATOM 0 HB2 LEU A 66 3.973 -7.151 3.802 1.00 11.21 H new ATOM 0 HB3 LEU A 66 2.592 -7.876 4.602 1.00 11.21 H new ATOM 0 HG LEU A 66 4.588 -8.847 5.417 1.00 1.44 H new ATOM 0 HD11 LEU A 66 4.229 -11.255 4.965 1.00 54.04 H new ATOM 0 HD12 LEU A 66 2.710 -10.374 5.252 1.00 54.04 H new ATOM 0 HD13 LEU A 66 3.181 -10.820 3.594 1.00 54.04 H new ATOM 0 HD21 LEU A 66 6.152 -10.172 4.033 1.00 0.32 H new ATOM 0 HD22 LEU A 66 5.277 -9.645 2.576 1.00 0.32 H new ATOM 0 HD23 LEU A 66 6.123 -8.450 3.586 1.00 0.32 H new ATOM 1043 N ASP A 67 3.922 -9.836 1.196 1.00 62.11 N ATOM 1044 CA ASP A 67 4.848 -10.250 0.167 1.00 4.12 C ATOM 1045 C ASP A 67 4.287 -9.815 -1.159 1.00 64.50 C ATOM 1046 O ASP A 67 4.962 -9.156 -1.952 1.00 34.41 O ATOM 1047 CB ASP A 67 5.064 -11.763 0.183 1.00 43.41 C ATOM 1048 CG ASP A 67 6.029 -12.216 -0.897 1.00 73.51 C ATOM 1049 OD1 ASP A 67 7.254 -12.155 -0.671 1.00 1.12 O ATOM 1050 OD2 ASP A 67 5.569 -12.639 -1.979 1.00 25.24 O ATOM 0 H ASP A 67 3.495 -10.599 1.721 1.00 62.11 H new ATOM 0 HA ASP A 67 5.820 -9.789 0.344 1.00 4.12 H new ATOM 0 HB2 ASP A 67 5.446 -12.063 1.159 1.00 43.41 H new ATOM 0 HB3 ASP A 67 4.107 -12.266 0.047 1.00 43.41 H new ATOM 1055 N ALA A 68 3.013 -10.142 -1.367 1.00 4.51 N ATOM 1056 CA ALA A 68 2.324 -9.746 -2.593 1.00 1.13 C ATOM 1057 C ALA A 68 2.337 -8.220 -2.784 1.00 31.41 C ATOM 1058 O ALA A 68 2.842 -7.707 -3.792 1.00 2.44 O ATOM 1059 CB ALA A 68 0.894 -10.265 -2.584 1.00 22.32 C ATOM 0 H ALA A 68 2.442 -10.674 -0.710 1.00 4.51 H new ATOM 0 HA ALA A 68 2.860 -10.189 -3.433 1.00 1.13 H new ATOM 0 HB1 ALA A 68 0.392 -9.963 -3.503 1.00 22.32 H new ATOM 0 HB2 ALA A 68 0.902 -11.353 -2.515 1.00 22.32 H new ATOM 0 HB3 ALA A 68 0.362 -9.851 -1.727 1.00 22.32 H new ATOM 1065 N LEU A 69 1.814 -7.495 -1.799 1.00 50.25 N ATOM 1066 CA LEU A 69 1.634 -6.057 -1.918 1.00 64.13 C ATOM 1067 C LEU A 69 2.955 -5.314 -1.998 1.00 73.53 C ATOM 1068 O LEU A 69 3.062 -4.357 -2.750 1.00 1.44 O ATOM 1069 CB LEU A 69 0.750 -5.490 -0.781 1.00 64.34 C ATOM 1070 CG LEU A 69 1.159 -5.822 0.669 1.00 24.40 C ATOM 1071 CD1 LEU A 69 2.345 -4.993 1.141 1.00 24.15 C ATOM 1072 CD2 LEU A 69 -0.021 -5.621 1.605 1.00 20.15 C ATOM 0 H LEU A 69 1.507 -7.885 -0.908 1.00 50.25 H new ATOM 0 HA LEU A 69 1.112 -5.893 -2.861 1.00 64.13 H new ATOM 0 HB2 LEU A 69 0.724 -4.405 -0.884 1.00 64.34 H new ATOM 0 HB3 LEU A 69 -0.268 -5.849 -0.935 1.00 64.34 H new ATOM 0 HG LEU A 69 1.467 -6.868 0.685 1.00 24.40 H new ATOM 0 HD11 LEU A 69 2.593 -5.264 2.167 1.00 24.15 H new ATOM 0 HD12 LEU A 69 3.203 -5.186 0.497 1.00 24.15 H new ATOM 0 HD13 LEU A 69 2.089 -3.934 1.098 1.00 24.15 H new ATOM 0 HD21 LEU A 69 0.280 -5.858 2.626 1.00 20.15 H new ATOM 0 HD22 LEU A 69 -0.352 -4.584 1.556 1.00 20.15 H new ATOM 0 HD23 LEU A 69 -0.839 -6.277 1.306 1.00 20.15 H new ATOM 1084 N ASP A 70 3.970 -5.747 -1.257 1.00 14.01 N ATOM 1085 CA ASP A 70 5.220 -4.997 -1.222 1.00 72.34 C ATOM 1086 C ASP A 70 5.942 -5.120 -2.539 1.00 1.24 C ATOM 1087 O ASP A 70 6.381 -4.115 -3.101 1.00 72.23 O ATOM 1088 CB ASP A 70 6.150 -5.451 -0.106 1.00 42.42 C ATOM 1089 CG ASP A 70 7.131 -4.355 0.276 1.00 64.45 C ATOM 1090 OD1 ASP A 70 6.797 -3.546 1.167 1.00 54.23 O ATOM 1091 OD2 ASP A 70 8.219 -4.273 -0.327 1.00 30.33 O ATOM 0 H ASP A 70 3.955 -6.592 -0.686 1.00 14.01 H new ATOM 0 HA ASP A 70 4.950 -3.959 -1.031 1.00 72.34 H new ATOM 0 HB2 ASP A 70 5.562 -5.736 0.767 1.00 42.42 H new ATOM 0 HB3 ASP A 70 6.698 -6.338 -0.425 1.00 42.42 H new ATOM 1096 N GLN A 71 6.038 -6.344 -3.048 1.00 43.11 N ATOM 1097 CA GLN A 71 6.732 -6.572 -4.299 1.00 54.33 C ATOM 1098 C GLN A 71 6.105 -5.728 -5.397 1.00 75.03 C ATOM 1099 O GLN A 71 6.811 -5.114 -6.178 1.00 61.22 O ATOM 1100 CB GLN A 71 6.729 -8.055 -4.683 1.00 15.53 C ATOM 1101 CG GLN A 71 5.394 -8.560 -5.192 1.00 11.13 C ATOM 1102 CD GLN A 71 5.323 -10.065 -5.242 1.00 24.35 C ATOM 1103 OE1 GLN A 71 5.637 -10.689 -6.255 1.00 4.35 O ATOM 1104 NE2 GLN A 71 4.923 -10.655 -4.133 1.00 71.42 N ATOM 0 H GLN A 71 5.647 -7.181 -2.615 1.00 43.11 H new ATOM 0 HA GLN A 71 7.773 -6.274 -4.172 1.00 54.33 H new ATOM 0 HB2 GLN A 71 7.485 -8.222 -5.450 1.00 15.53 H new ATOM 0 HB3 GLN A 71 7.021 -8.645 -3.814 1.00 15.53 H new ATOM 0 HG2 GLN A 71 4.598 -8.184 -4.549 1.00 11.13 H new ATOM 0 HG3 GLN A 71 5.214 -8.158 -6.189 1.00 11.13 H new ATOM 0 HE21 GLN A 71 4.673 -10.094 -3.318 1.00 71.42 H new ATOM 0 HE22 GLN A 71 4.863 -11.672 -4.089 1.00 71.42 H new ATOM 1113 N LEU A 72 4.775 -5.650 -5.433 1.00 30.02 N ATOM 1114 CA LEU A 72 4.129 -4.859 -6.468 1.00 32.12 C ATOM 1115 C LEU A 72 4.165 -3.367 -6.138 1.00 23.20 C ATOM 1116 O LEU A 72 4.361 -2.547 -7.023 1.00 42.21 O ATOM 1117 CB LEU A 72 2.694 -5.350 -6.751 1.00 40.42 C ATOM 1118 CG LEU A 72 1.713 -5.357 -5.573 1.00 13.10 C ATOM 1119 CD1 LEU A 72 1.056 -3.997 -5.389 1.00 0.00 C ATOM 1120 CD2 LEU A 72 0.660 -6.434 -5.782 1.00 53.50 C ATOM 0 H LEU A 72 4.144 -6.111 -4.777 1.00 30.02 H new ATOM 0 HA LEU A 72 4.699 -5.000 -7.386 1.00 32.12 H new ATOM 0 HB2 LEU A 72 2.272 -4.726 -7.539 1.00 40.42 H new ATOM 0 HB3 LEU A 72 2.755 -6.364 -7.146 1.00 40.42 H new ATOM 0 HG LEU A 72 2.274 -5.577 -4.664 1.00 13.10 H new ATOM 0 HD11 LEU A 72 0.367 -4.037 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.822 -3.246 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.508 -3.732 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.033 -6.433 -4.941 1.00 53.50 H new ATOM 0 HD22 LEU A 72 0.113 -6.234 -6.703 1.00 53.50 H new ATOM 0 HD23 LEU A 72 1.144 -7.408 -5.852 1.00 53.50 H new ATOM 1132 N ARG A 73 4.027 -3.005 -4.866 1.00 55.22 N ATOM 1133 CA ARG A 73 3.973 -1.592 -4.516 1.00 73.21 C ATOM 1134 C ARG A 73 5.333 -0.933 -4.688 1.00 31.13 C ATOM 1135 O ARG A 73 5.406 0.185 -5.165 1.00 62.41 O ATOM 1136 CB ARG A 73 3.430 -1.353 -3.095 1.00 5.42 C ATOM 1137 CG ARG A 73 4.355 -1.781 -1.967 1.00 55.43 C ATOM 1138 CD ARG A 73 3.737 -1.477 -0.609 1.00 54.44 C ATOM 1139 NE ARG A 73 4.542 -1.986 0.503 1.00 55.40 N ATOM 1140 CZ ARG A 73 4.316 -1.690 1.782 1.00 51.14 C ATOM 1141 NH1 ARG A 73 3.328 -0.865 2.117 1.00 33.22 N ATOM 1142 NH2 ARG A 73 5.076 -2.234 2.721 1.00 20.55 N ATOM 0 H ARG A 73 3.952 -3.651 -4.080 1.00 55.22 H new ATOM 0 HA ARG A 73 3.270 -1.128 -5.208 1.00 73.21 H new ATOM 0 HB2 ARG A 73 3.211 -0.291 -2.981 1.00 5.42 H new ATOM 0 HB3 ARG A 73 2.485 -1.886 -2.990 1.00 5.42 H new ATOM 0 HG2 ARG A 73 4.561 -2.848 -2.046 1.00 55.43 H new ATOM 0 HG3 ARG A 73 5.310 -1.264 -2.060 1.00 55.43 H new ATOM 0 HD2 ARG A 73 3.617 -0.399 -0.502 1.00 54.44 H new ATOM 0 HD3 ARG A 73 2.740 -1.915 -0.561 1.00 54.44 H new ATOM 0 HE ARG A 73 5.323 -2.605 0.285 1.00 55.40 H new ATOM 0 HH11 ARG A 73 2.738 -0.455 1.393 1.00 33.22 H new ATOM 0 HH12 ARG A 73 3.160 -0.642 3.098 1.00 33.22 H new ATOM 0 HH21 ARG A 73 5.827 -2.874 2.462 1.00 20.55 H new ATOM 0 HH22 ARG A 73 4.910 -2.013 3.703 1.00 20.55 H new ATOM 1156 N THR A 74 6.412 -1.627 -4.339 1.00 64.41 N ATOM 1157 CA THR A 74 7.737 -1.031 -4.439 1.00 23.14 C ATOM 1158 C THR A 74 8.292 -1.166 -5.857 1.00 42.33 C ATOM 1159 O THR A 74 8.947 -0.254 -6.352 1.00 75.32 O ATOM 1160 CB THR A 74 8.729 -1.626 -3.405 1.00 12.22 C ATOM 1161 OG1 THR A 74 9.879 -0.780 -3.277 1.00 12.15 O ATOM 1162 CG2 THR A 74 9.183 -3.028 -3.795 1.00 73.14 C ATOM 0 H THR A 74 6.396 -2.586 -3.991 1.00 64.41 H new ATOM 0 HA THR A 74 7.626 0.028 -4.208 1.00 23.14 H new ATOM 0 HB THR A 74 8.202 -1.688 -2.453 1.00 12.22 H new ATOM 0 HG1 THR A 74 9.724 0.058 -3.761 1.00 12.15 H new ATOM 0 HG21 THR A 74 9.876 -3.408 -3.045 1.00 73.14 H new ATOM 0 HG22 THR A 74 8.317 -3.687 -3.856 1.00 73.14 H new ATOM 0 HG23 THR A 74 9.681 -2.993 -4.764 1.00 73.14 H new ATOM 1170 N GLU A 75 7.991 -2.279 -6.524 1.00 72.41 N ATOM 1171 CA GLU A 75 8.462 -2.502 -7.888 1.00 12.43 C ATOM 1172 C GLU A 75 7.839 -1.482 -8.832 1.00 22.10 C ATOM 1173 O GLU A 75 8.450 -1.071 -9.815 1.00 14.32 O ATOM 1174 CB GLU A 75 8.108 -3.914 -8.352 1.00 32.22 C ATOM 1175 CG GLU A 75 8.710 -4.298 -9.693 1.00 40.51 C ATOM 1176 CD GLU A 75 10.197 -4.555 -9.614 1.00 74.43 C ATOM 1177 OE1 GLU A 75 10.975 -3.585 -9.504 1.00 14.15 O ATOM 1178 OE2 GLU A 75 10.594 -5.737 -9.665 1.00 14.32 O ATOM 0 H GLU A 75 7.425 -3.037 -6.143 1.00 72.41 H new ATOM 0 HA GLU A 75 9.546 -2.388 -7.900 1.00 12.43 H new ATOM 0 HB2 GLU A 75 8.443 -4.627 -7.598 1.00 32.22 H new ATOM 0 HB3 GLU A 75 7.023 -4.003 -8.415 1.00 32.22 H new ATOM 0 HG2 GLU A 75 8.211 -5.191 -10.068 1.00 40.51 H new ATOM 0 HG3 GLU A 75 8.521 -3.501 -10.413 1.00 40.51 H new ATOM 1185 N LEU A 76 6.615 -1.085 -8.524 1.00 62.44 N ATOM 1186 CA LEU A 76 5.895 -0.115 -9.331 1.00 24.15 C ATOM 1187 C LEU A 76 6.168 1.309 -8.836 1.00 60.43 C ATOM 1188 O LEU A 76 6.100 2.269 -9.605 1.00 62.01 O ATOM 1189 CB LEU A 76 4.390 -0.422 -9.304 1.00 3.21 C ATOM 1190 CG LEU A 76 3.912 -1.587 -10.202 1.00 5.21 C ATOM 1191 CD1 LEU A 76 4.673 -2.880 -9.932 1.00 54.11 C ATOM 1192 CD2 LEU A 76 2.424 -1.823 -10.001 1.00 44.43 C ATOM 0 H LEU A 76 6.096 -1.423 -7.714 1.00 62.44 H new ATOM 0 HA LEU A 76 6.246 -0.186 -10.360 1.00 24.15 H new ATOM 0 HB2 LEU A 76 4.104 -0.643 -8.276 1.00 3.21 H new ATOM 0 HB3 LEU A 76 3.852 0.479 -9.597 1.00 3.21 H new ATOM 0 HG LEU A 76 4.110 -1.297 -11.234 1.00 5.21 H new ATOM 0 HD11 LEU A 76 4.299 -3.666 -10.588 1.00 54.11 H new ATOM 0 HD12 LEU A 76 5.735 -2.724 -10.122 1.00 54.11 H new ATOM 0 HD13 LEU A 76 4.530 -3.176 -8.893 1.00 54.11 H new ATOM 0 HD21 LEU A 76 2.097 -2.645 -10.638 1.00 44.43 H new ATOM 0 HD22 LEU A 76 2.233 -2.074 -8.958 1.00 44.43 H new ATOM 0 HD23 LEU A 76 1.874 -0.920 -10.264 1.00 44.43 H new ATOM 1204 N LEU A 77 6.501 1.434 -7.554 1.00 43.22 N ATOM 1205 CA LEU A 77 6.776 2.737 -6.949 1.00 62.21 C ATOM 1206 C LEU A 77 8.112 3.277 -7.431 1.00 50.25 C ATOM 1207 O LEU A 77 8.239 4.459 -7.746 1.00 62.45 O ATOM 1208 CB LEU A 77 6.780 2.621 -5.420 1.00 33.52 C ATOM 1209 CG LEU A 77 6.662 3.931 -4.642 1.00 21.15 C ATOM 1210 CD1 LEU A 77 6.156 3.647 -3.240 1.00 21.12 C ATOM 1211 CD2 LEU A 77 8.003 4.651 -4.571 1.00 62.11 C ATOM 0 H LEU A 77 6.587 0.647 -6.911 1.00 43.22 H new ATOM 0 HA LEU A 77 5.990 3.429 -7.251 1.00 62.21 H new ATOM 0 HB2 LEU A 77 5.956 1.972 -5.124 1.00 33.52 H new ATOM 0 HB3 LEU A 77 7.702 2.125 -5.117 1.00 33.52 H new ATOM 0 HG LEU A 77 5.957 4.578 -5.164 1.00 21.15 H new ATOM 0 HD11 LEU A 77 6.073 4.582 -2.687 1.00 21.12 H new ATOM 0 HD12 LEU A 77 5.177 3.170 -3.296 1.00 21.12 H new ATOM 0 HD13 LEU A 77 6.854 2.984 -2.729 1.00 21.12 H new ATOM 0 HD21 LEU A 77 7.888 5.580 -4.012 1.00 62.11 H new ATOM 0 HD22 LEU A 77 8.732 4.014 -4.071 1.00 62.11 H new ATOM 0 HD23 LEU A 77 8.349 4.876 -5.580 1.00 62.11 H new ATOM 1223 N ARG A 78 9.097 2.390 -7.507 1.00 63.30 N ATOM 1224 CA ARG A 78 10.453 2.747 -7.926 1.00 20.31 C ATOM 1225 C ARG A 78 10.505 3.126 -9.417 1.00 1.15 C ATOM 1226 O ARG A 78 11.574 3.122 -10.033 1.00 0.32 O ATOM 1227 CB ARG A 78 11.393 1.563 -7.634 1.00 74.43 C ATOM 1228 CG ARG A 78 11.081 0.325 -8.464 1.00 21.00 C ATOM 1229 CD ARG A 78 11.744 -0.928 -7.904 1.00 64.35 C ATOM 1230 NE ARG A 78 13.206 -0.866 -7.958 1.00 71.33 N ATOM 1231 CZ ARG A 78 13.987 -1.931 -8.140 1.00 61.35 C ATOM 1232 NH1 ARG A 78 13.455 -3.117 -8.406 1.00 35.25 N ATOM 1233 NH2 ARG A 78 15.308 -1.806 -8.092 1.00 21.02 N ATOM 0 H ARG A 78 8.981 1.402 -7.281 1.00 63.30 H new ATOM 0 HA ARG A 78 10.775 3.623 -7.363 1.00 20.31 H new ATOM 0 HB2 ARG A 78 12.422 1.870 -7.825 1.00 74.43 H new ATOM 0 HB3 ARG A 78 11.327 1.308 -6.576 1.00 74.43 H new ATOM 0 HG2 ARG A 78 10.002 0.177 -8.500 1.00 21.00 H new ATOM 0 HG3 ARG A 78 11.416 0.483 -9.489 1.00 21.00 H new ATOM 0 HD2 ARG A 78 11.428 -1.070 -6.870 1.00 64.35 H new ATOM 0 HD3 ARG A 78 11.400 -1.797 -8.465 1.00 64.35 H new ATOM 0 HE ARG A 78 13.653 0.045 -7.850 1.00 71.33 H new ATOM 0 HH11 ARG A 78 12.442 -3.218 -8.472 1.00 35.25 H new ATOM 0 HH12 ARG A 78 14.059 -3.927 -8.544 1.00 35.25 H new ATOM 0 HH21 ARG A 78 15.728 -0.893 -7.915 1.00 21.02 H new ATOM 0 HH22 ARG A 78 15.903 -2.623 -8.232 1.00 21.02 H new ATOM 1247 N ARG A 79 9.352 3.481 -9.986 1.00 24.02 N ATOM 1248 CA ARG A 79 9.245 3.806 -11.402 1.00 41.23 C ATOM 1249 C ARG A 79 8.657 5.212 -11.590 1.00 32.24 C ATOM 1250 O ARG A 79 9.316 6.103 -12.128 1.00 71.20 O ATOM 1251 CB ARG A 79 8.357 2.778 -12.114 1.00 51.22 C ATOM 1252 CG ARG A 79 8.647 1.336 -11.716 1.00 15.24 C ATOM 1253 CD ARG A 79 10.017 0.868 -12.186 1.00 42.33 C ATOM 1254 NE ARG A 79 10.029 0.538 -13.610 1.00 5.10 N ATOM 1255 CZ ARG A 79 11.106 0.103 -14.267 1.00 63.40 C ATOM 1256 NH1 ARG A 79 12.263 -0.047 -13.628 1.00 30.03 N ATOM 1257 NH2 ARG A 79 11.022 -0.188 -15.559 1.00 33.21 N ATOM 0 H ARG A 79 8.471 3.550 -9.477 1.00 24.02 H new ATOM 0 HA ARG A 79 10.245 3.781 -11.836 1.00 41.23 H new ATOM 0 HB2 ARG A 79 7.312 3.002 -11.898 1.00 51.22 H new ATOM 0 HB3 ARG A 79 8.489 2.882 -13.191 1.00 51.22 H new ATOM 0 HG2 ARG A 79 8.586 1.242 -10.632 1.00 15.24 H new ATOM 0 HG3 ARG A 79 7.880 0.685 -12.136 1.00 15.24 H new ATOM 0 HD2 ARG A 79 10.753 1.648 -11.989 1.00 42.33 H new ATOM 0 HD3 ARG A 79 10.318 -0.007 -11.609 1.00 42.33 H new ATOM 0 HE ARG A 79 9.161 0.647 -14.134 1.00 5.10 H new ATOM 0 HH11 ARG A 79 12.328 0.171 -12.634 1.00 30.03 H new ATOM 0 HH12 ARG A 79 13.085 -0.380 -14.132 1.00 30.03 H new ATOM 0 HH21 ARG A 79 10.134 -0.079 -16.050 1.00 33.21 H new ATOM 0 HH22 ARG A 79 11.845 -0.520 -16.061 1.00 33.21 H new ATOM 1271 N GLY A 80 7.423 5.410 -11.122 1.00 24.43 N ATOM 1272 CA GLY A 80 6.733 6.680 -11.333 1.00 21.31 C ATOM 1273 C GLY A 80 6.793 7.596 -10.123 1.00 21.40 C ATOM 1274 O GLY A 80 7.765 7.561 -9.365 1.00 31.21 O ATOM 0 H GLY A 80 6.888 4.715 -10.601 1.00 24.43 H new ATOM 0 HA2 GLY A 80 7.175 7.189 -12.190 1.00 21.31 H new ATOM 0 HA3 GLY A 80 5.690 6.484 -11.582 1.00 21.31 H new ATOM 1278 N ILE A 81 5.771 8.430 -9.947 1.00 0.24 N ATOM 1279 CA ILE A 81 5.706 9.313 -8.788 1.00 74.22 C ATOM 1280 C ILE A 81 4.651 8.813 -7.796 1.00 11.02 C ATOM 1281 O ILE A 81 3.440 9.030 -7.944 1.00 54.24 O ATOM 1282 CB ILE A 81 5.461 10.794 -9.182 1.00 13.34 C ATOM 1283 CG1 ILE A 81 5.253 11.665 -7.938 1.00 70.51 C ATOM 1284 CG2 ILE A 81 4.286 10.932 -10.140 1.00 34.43 C ATOM 1285 CD1 ILE A 81 6.465 11.740 -7.037 1.00 14.20 C ATOM 0 H ILE A 81 4.982 8.512 -10.588 1.00 0.24 H new ATOM 0 HA ILE A 81 6.681 9.286 -8.301 1.00 74.22 H new ATOM 0 HB ILE A 81 6.353 11.145 -9.701 1.00 13.34 H new ATOM 0 HG12 ILE A 81 4.983 12.673 -8.253 1.00 70.51 H new ATOM 0 HG13 ILE A 81 4.411 11.273 -7.367 1.00 70.51 H new ATOM 0 HG21 ILE A 81 4.145 11.983 -10.393 1.00 34.43 H new ATOM 0 HG22 ILE A 81 4.488 10.364 -11.048 1.00 34.43 H new ATOM 0 HG23 ILE A 81 3.383 10.549 -9.665 1.00 34.43 H new ATOM 0 HD11 ILE A 81 6.242 12.374 -6.179 1.00 14.20 H new ATOM 0 HD12 ILE A 81 6.724 10.739 -6.692 1.00 14.20 H new ATOM 0 HD13 ILE A 81 7.304 12.161 -7.590 1.00 14.20 H new ATOM 1297 N VAL A 82 5.135 8.114 -6.791 1.00 42.54 N ATOM 1298 CA VAL A 82 4.281 7.433 -5.842 1.00 33.33 C ATOM 1299 C VAL A 82 5.019 7.218 -4.529 1.00 15.12 C ATOM 1300 O VAL A 82 6.248 7.185 -4.501 1.00 2.45 O ATOM 1301 CB VAL A 82 3.802 6.078 -6.426 1.00 1.21 C ATOM 1302 CG1 VAL A 82 4.912 5.414 -7.221 1.00 74.12 C ATOM 1303 CG2 VAL A 82 3.298 5.132 -5.340 1.00 70.10 C ATOM 0 H VAL A 82 6.132 8.002 -6.609 1.00 42.54 H new ATOM 0 HA VAL A 82 3.406 8.054 -5.649 1.00 33.33 H new ATOM 0 HB VAL A 82 2.966 6.295 -7.091 1.00 1.21 H new ATOM 0 HG11 VAL A 82 4.555 4.465 -7.622 1.00 74.12 H new ATOM 0 HG12 VAL A 82 5.211 6.065 -8.042 1.00 74.12 H new ATOM 0 HG13 VAL A 82 5.768 5.234 -6.571 1.00 74.12 H new ATOM 0 HG21 VAL A 82 2.973 4.196 -5.795 1.00 70.10 H new ATOM 0 HG22 VAL A 82 4.101 4.931 -4.631 1.00 70.10 H new ATOM 0 HG23 VAL A 82 2.459 5.592 -4.817 1.00 70.10 H new ATOM 1313 N PHE A 83 4.270 7.125 -3.444 1.00 51.25 N ATOM 1314 CA PHE A 83 4.840 6.777 -2.152 1.00 61.21 C ATOM 1315 C PHE A 83 3.980 5.706 -1.485 1.00 25.32 C ATOM 1316 O PHE A 83 2.906 5.357 -1.984 1.00 22.24 O ATOM 1317 CB PHE A 83 4.961 8.013 -1.254 1.00 70.43 C ATOM 1318 CG PHE A 83 5.990 9.005 -1.718 1.00 52.25 C ATOM 1319 CD1 PHE A 83 7.325 8.843 -1.381 1.00 4.53 C ATOM 1320 CD2 PHE A 83 5.626 10.100 -2.485 1.00 51.02 C ATOM 1321 CE1 PHE A 83 8.277 9.752 -1.801 1.00 52.34 C ATOM 1322 CE2 PHE A 83 6.571 11.014 -2.907 1.00 64.40 C ATOM 1323 CZ PHE A 83 7.899 10.839 -2.564 1.00 0.15 C ATOM 0 H PHE A 83 3.263 7.286 -3.431 1.00 51.25 H new ATOM 0 HA PHE A 83 5.844 6.382 -2.306 1.00 61.21 H new ATOM 0 HB2 PHE A 83 3.991 8.508 -1.201 1.00 70.43 H new ATOM 0 HB3 PHE A 83 5.210 7.692 -0.243 1.00 70.43 H new ATOM 0 HD1 PHE A 83 7.625 7.995 -0.783 1.00 4.53 H new ATOM 0 HD2 PHE A 83 4.590 10.240 -2.756 1.00 51.02 H new ATOM 0 HE1 PHE A 83 9.314 9.613 -1.533 1.00 52.34 H new ATOM 0 HE2 PHE A 83 6.274 11.864 -3.504 1.00 64.40 H new ATOM 0 HZ PHE A 83 8.640 11.552 -2.893 1.00 0.15 H new ATOM 1333 N ALA A 84 4.447 5.165 -0.375 1.00 44.34 N ATOM 1334 CA ALA A 84 3.672 4.172 0.347 1.00 13.55 C ATOM 1335 C ALA A 84 3.975 4.205 1.831 1.00 63.24 C ATOM 1336 O ALA A 84 5.128 4.346 2.233 1.00 72.03 O ATOM 1337 CB ALA A 84 3.932 2.790 -0.210 1.00 22.31 C ATOM 0 H ALA A 84 5.349 5.393 0.043 1.00 44.34 H new ATOM 0 HA ALA A 84 2.618 4.414 0.214 1.00 13.55 H new ATOM 0 HB1 ALA A 84 3.343 2.058 0.343 1.00 22.31 H new ATOM 0 HB2 ALA A 84 3.649 2.763 -1.262 1.00 22.31 H new ATOM 0 HB3 ALA A 84 4.991 2.552 -0.112 1.00 22.31 H new ATOM 1343 N MET A 85 2.937 4.074 2.642 1.00 72.11 N ATOM 1344 CA MET A 85 3.095 4.080 4.086 1.00 41.25 C ATOM 1345 C MET A 85 2.054 3.203 4.766 1.00 74.22 C ATOM 1346 O MET A 85 0.856 3.299 4.498 1.00 61.41 O ATOM 1347 CB MET A 85 3.006 5.499 4.646 1.00 63.32 C ATOM 1348 CG MET A 85 1.765 6.250 4.207 1.00 3.14 C ATOM 1349 SD MET A 85 1.047 7.232 5.535 1.00 44.54 S ATOM 1350 CE MET A 85 0.223 5.942 6.469 1.00 43.11 C ATOM 0 H MET A 85 1.975 3.962 2.323 1.00 72.11 H new ATOM 0 HA MET A 85 4.085 3.675 4.296 1.00 41.25 H new ATOM 0 HB2 MET A 85 3.026 5.452 5.735 1.00 63.32 H new ATOM 0 HB3 MET A 85 3.888 6.059 4.335 1.00 63.32 H new ATOM 0 HG2 MET A 85 2.016 6.903 3.371 1.00 3.14 H new ATOM 0 HG3 MET A 85 1.023 5.539 3.844 1.00 3.14 H new ATOM 0 HE1 MET A 85 0.287 6.166 7.534 1.00 43.11 H new ATOM 0 HE2 MET A 85 -0.824 5.890 6.171 1.00 43.11 H new ATOM 0 HE3 MET A 85 0.705 4.985 6.271 1.00 43.11 H new ATOM 1360 N ALA A 86 2.521 2.347 5.645 1.00 23.33 N ATOM 1361 CA ALA A 86 1.640 1.563 6.482 1.00 24.12 C ATOM 1362 C ALA A 86 1.732 2.078 7.910 1.00 64.44 C ATOM 1363 O ALA A 86 2.204 3.193 8.137 1.00 24.20 O ATOM 1364 CB ALA A 86 1.998 0.085 6.404 1.00 72.45 C ATOM 0 H ALA A 86 3.514 2.174 5.800 1.00 23.33 H new ATOM 0 HA ALA A 86 0.613 1.665 6.131 1.00 24.12 H new ATOM 0 HB1 ALA A 86 1.323 -0.487 7.041 1.00 72.45 H new ATOM 0 HB2 ALA A 86 1.903 -0.259 5.374 1.00 72.45 H new ATOM 0 HB3 ALA A 86 3.024 -0.059 6.741 1.00 72.45 H new ATOM 1370 N ARG A 87 1.282 1.286 8.861 1.00 13.21 N ATOM 1371 CA ARG A 87 1.412 1.634 10.265 1.00 70.31 C ATOM 1372 C ARG A 87 1.994 0.455 11.027 1.00 52.42 C ATOM 1373 O ARG A 87 1.468 -0.655 10.960 1.00 34.12 O ATOM 1374 CB ARG A 87 0.067 2.064 10.850 1.00 70.30 C ATOM 1375 CG ARG A 87 -1.063 1.092 10.579 1.00 1.21 C ATOM 1376 CD ARG A 87 -2.313 1.497 11.328 1.00 64.44 C ATOM 1377 NE ARG A 87 -2.111 1.473 12.774 1.00 45.23 N ATOM 1378 CZ ARG A 87 -3.021 1.873 13.655 1.00 3.20 C ATOM 1379 NH1 ARG A 87 -4.154 2.428 13.243 1.00 75.44 N ATOM 1380 NH2 ARG A 87 -2.770 1.753 14.950 1.00 53.43 N ATOM 0 H ARG A 87 0.821 0.393 8.688 1.00 13.21 H new ATOM 0 HA ARG A 87 2.090 2.482 10.360 1.00 70.31 H new ATOM 0 HB2 ARG A 87 0.174 2.189 11.928 1.00 70.30 H new ATOM 0 HB3 ARG A 87 -0.200 3.039 10.441 1.00 70.30 H new ATOM 0 HG2 ARG A 87 -1.270 1.058 9.509 1.00 1.21 H new ATOM 0 HG3 ARG A 87 -0.764 0.087 10.878 1.00 1.21 H new ATOM 0 HD2 ARG A 87 -2.613 2.498 11.020 1.00 64.44 H new ATOM 0 HD3 ARG A 87 -3.129 0.824 11.064 1.00 64.44 H new ATOM 0 HE ARG A 87 -1.219 1.129 13.128 1.00 45.23 H new ATOM 0 HH11 ARG A 87 -4.329 2.549 12.246 1.00 75.44 H new ATOM 0 HH12 ARG A 87 -4.849 2.733 13.924 1.00 75.44 H new ATOM 0 HH21 ARG A 87 -1.884 1.356 15.263 1.00 53.43 H new ATOM 0 HH22 ARG A 87 -3.463 2.057 15.634 1.00 53.43 H new ATOM 1394 N VAL A 88 3.076 0.708 11.746 1.00 53.11 N ATOM 1395 CA VAL A 88 3.884 -0.352 12.339 1.00 74.30 C ATOM 1396 C VAL A 88 3.163 -1.123 13.447 1.00 2.33 C ATOM 1397 O VAL A 88 2.977 -0.632 14.559 1.00 73.52 O ATOM 1398 CB VAL A 88 5.226 0.195 12.877 1.00 13.44 C ATOM 1399 CG1 VAL A 88 6.183 0.466 11.726 1.00 43.12 C ATOM 1400 CG2 VAL A 88 5.011 1.463 13.690 1.00 74.12 C ATOM 0 H VAL A 88 3.420 1.649 11.936 1.00 53.11 H new ATOM 0 HA VAL A 88 4.075 -1.055 11.528 1.00 74.30 H new ATOM 0 HB VAL A 88 5.662 -0.560 13.531 1.00 13.44 H new ATOM 0 HG11 VAL A 88 7.124 0.851 12.118 1.00 43.12 H new ATOM 0 HG12 VAL A 88 6.368 -0.460 11.181 1.00 43.12 H new ATOM 0 HG13 VAL A 88 5.743 1.201 11.052 1.00 43.12 H new ATOM 0 HG21 VAL A 88 5.971 1.827 14.057 1.00 74.12 H new ATOM 0 HG22 VAL A 88 4.550 2.225 13.061 1.00 74.12 H new ATOM 0 HG23 VAL A 88 4.358 1.247 14.535 1.00 74.12 H new ATOM 1410 N LYS A 89 2.737 -2.333 13.108 1.00 51.43 N ATOM 1411 CA LYS A 89 2.232 -3.285 14.088 1.00 75.43 C ATOM 1412 C LYS A 89 3.045 -4.570 13.978 1.00 13.14 C ATOM 1413 O LYS A 89 3.916 -4.850 14.801 1.00 64.34 O ATOM 1414 CB LYS A 89 0.752 -3.584 13.841 1.00 33.03 C ATOM 1415 CG LYS A 89 -0.109 -2.340 13.689 1.00 23.44 C ATOM 1416 CD LYS A 89 -1.516 -2.689 13.237 1.00 33.31 C ATOM 1417 CE LYS A 89 -1.513 -3.449 11.916 1.00 54.03 C ATOM 1418 NZ LYS A 89 -0.853 -2.685 10.824 1.00 64.43 N ATOM 0 H LYS A 89 2.732 -2.681 12.149 1.00 51.43 H new ATOM 0 HA LYS A 89 2.328 -2.861 15.087 1.00 75.43 H new ATOM 0 HB2 LYS A 89 0.659 -4.191 12.940 1.00 33.03 H new ATOM 0 HB3 LYS A 89 0.369 -4.181 14.669 1.00 33.03 H new ATOM 0 HG2 LYS A 89 -0.152 -1.808 14.639 1.00 23.44 H new ATOM 0 HG3 LYS A 89 0.350 -1.665 12.966 1.00 23.44 H new ATOM 0 HD2 LYS A 89 -2.005 -3.292 14.002 1.00 33.31 H new ATOM 0 HD3 LYS A 89 -2.101 -1.775 13.130 1.00 33.31 H new ATOM 0 HE2 LYS A 89 -1.001 -4.402 12.049 1.00 54.03 H new ATOM 0 HE3 LYS A 89 -2.540 -3.676 11.628 1.00 54.03 H new ATOM 0 HZ1 LYS A 89 -0.906 -3.228 9.939 1.00 64.43 H new ATOM 0 HZ2 LYS A 89 -1.335 -1.772 10.699 1.00 64.43 H new ATOM 0 HZ3 LYS A 89 0.144 -2.520 11.069 1.00 64.43 H new ATOM 1432 N GLN A 90 2.762 -5.336 12.933 1.00 24.30 N ATOM 1433 CA GLN A 90 3.568 -6.496 12.579 1.00 33.44 C ATOM 1434 C GLN A 90 4.096 -6.296 11.163 1.00 21.23 C ATOM 1435 O GLN A 90 4.959 -7.036 10.679 1.00 62.11 O ATOM 1436 CB GLN A 90 2.733 -7.787 12.671 1.00 25.14 C ATOM 1437 CG GLN A 90 1.923 -8.122 11.418 1.00 15.22 C ATOM 1438 CD GLN A 90 0.907 -7.058 11.032 1.00 40.24 C ATOM 1439 OE1 GLN A 90 0.332 -6.378 11.885 1.00 24.24 O ATOM 1440 NE2 GLN A 90 0.699 -6.897 9.737 1.00 32.53 N ATOM 0 H GLN A 90 1.971 -5.172 12.310 1.00 24.30 H new ATOM 0 HA GLN A 90 4.401 -6.596 13.275 1.00 33.44 H new ATOM 0 HB2 GLN A 90 3.402 -8.620 12.887 1.00 25.14 H new ATOM 0 HB3 GLN A 90 2.049 -7.700 13.515 1.00 25.14 H new ATOM 0 HG2 GLN A 90 2.609 -8.273 10.585 1.00 15.22 H new ATOM 0 HG3 GLN A 90 1.402 -9.066 11.577 1.00 15.22 H new ATOM 0 HE21 GLN A 90 1.196 -7.481 9.064 1.00 32.53 H new ATOM 0 HE22 GLN A 90 0.042 -6.189 9.410 1.00 32.53 H new ATOM 1449 N ASP A 91 3.563 -5.248 10.539 1.00 62.03 N ATOM 1450 CA ASP A 91 3.798 -4.916 9.138 1.00 5.50 C ATOM 1451 C ASP A 91 5.280 -4.818 8.834 1.00 62.04 C ATOM 1452 O ASP A 91 5.785 -5.500 7.949 1.00 41.12 O ATOM 1453 CB ASP A 91 3.139 -3.569 8.804 1.00 31.12 C ATOM 1454 CG ASP A 91 1.777 -3.390 9.448 1.00 35.43 C ATOM 1455 OD1 ASP A 91 1.705 -3.404 10.701 1.00 15.32 O ATOM 1456 OD2 ASP A 91 0.776 -3.197 8.724 1.00 23.14 O ATOM 0 H ASP A 91 2.940 -4.590 11.007 1.00 62.03 H new ATOM 0 HA ASP A 91 3.366 -5.713 8.533 1.00 5.50 H new ATOM 0 HB2 ASP A 91 3.795 -2.761 9.128 1.00 31.12 H new ATOM 0 HB3 ASP A 91 3.036 -3.481 7.722 1.00 31.12 H new ATOM 1461 N LEU A 92 5.974 -3.967 9.583 1.00 44.32 N ATOM 1462 CA LEU A 92 7.389 -3.715 9.346 1.00 41.51 C ATOM 1463 C LEU A 92 8.197 -5.008 9.400 1.00 70.32 C ATOM 1464 O LEU A 92 9.121 -5.202 8.615 1.00 75.35 O ATOM 1465 CB LEU A 92 7.950 -2.625 10.305 1.00 64.02 C ATOM 1466 CG LEU A 92 8.006 -2.901 11.832 1.00 33.32 C ATOM 1467 CD1 LEU A 92 6.695 -3.445 12.382 1.00 2.22 C ATOM 1468 CD2 LEU A 92 9.173 -3.813 12.195 1.00 74.00 C ATOM 0 H LEU A 92 5.577 -3.440 10.361 1.00 44.32 H new ATOM 0 HA LEU A 92 7.490 -3.318 8.336 1.00 41.51 H new ATOM 0 HB2 LEU A 92 8.964 -2.394 9.978 1.00 64.02 H new ATOM 0 HB3 LEU A 92 7.354 -1.724 10.158 1.00 64.02 H new ATOM 0 HG LEU A 92 8.170 -1.935 12.309 1.00 33.32 H new ATOM 0 HD11 LEU A 92 6.794 -3.619 13.453 1.00 2.22 H new ATOM 0 HD12 LEU A 92 5.898 -2.723 12.204 1.00 2.22 H new ATOM 0 HD13 LEU A 92 6.453 -4.383 11.883 1.00 2.22 H new ATOM 0 HD21 LEU A 92 9.180 -3.984 13.272 1.00 74.00 H new ATOM 0 HD22 LEU A 92 9.065 -4.766 11.677 1.00 74.00 H new ATOM 0 HD23 LEU A 92 10.109 -3.342 11.896 1.00 74.00 H new ATOM 1480 N ARG A 93 7.799 -5.914 10.279 1.00 74.05 N ATOM 1481 CA ARG A 93 8.490 -7.181 10.439 1.00 32.21 C ATOM 1482 C ARG A 93 8.403 -8.001 9.161 1.00 31.44 C ATOM 1483 O ARG A 93 9.403 -8.230 8.479 1.00 74.05 O ATOM 1484 CB ARG A 93 7.880 -7.961 11.607 1.00 12.00 C ATOM 1485 CG ARG A 93 8.167 -7.350 12.968 1.00 52.12 C ATOM 1486 CD ARG A 93 9.625 -7.531 13.346 1.00 30.23 C ATOM 1487 NE ARG A 93 9.991 -8.944 13.382 1.00 72.41 N ATOM 1488 CZ ARG A 93 11.207 -9.401 13.663 1.00 24.13 C ATOM 1489 NH1 ARG A 93 12.201 -8.559 13.923 1.00 54.43 N ATOM 1490 NH2 ARG A 93 11.422 -10.709 13.682 1.00 32.33 N ATOM 0 H ARG A 93 6.996 -5.793 10.896 1.00 74.05 H new ATOM 0 HA ARG A 93 9.541 -6.983 10.651 1.00 32.21 H new ATOM 0 HB2 ARG A 93 6.801 -8.022 11.467 1.00 12.00 H new ATOM 0 HB3 ARG A 93 8.262 -8.982 11.589 1.00 12.00 H new ATOM 0 HG2 ARG A 93 7.920 -6.288 12.954 1.00 52.12 H new ATOM 0 HG3 ARG A 93 7.531 -7.815 13.721 1.00 52.12 H new ATOM 0 HD2 ARG A 93 10.257 -7.007 12.629 1.00 30.23 H new ATOM 0 HD3 ARG A 93 9.809 -7.080 14.321 1.00 30.23 H new ATOM 0 HE ARG A 93 9.263 -9.628 13.177 1.00 72.41 H new ATOM 0 HH11 ARG A 93 12.034 -7.553 13.908 1.00 54.43 H new ATOM 0 HH12 ARG A 93 13.131 -8.919 14.138 1.00 54.43 H new ATOM 0 HH21 ARG A 93 10.658 -11.354 13.482 1.00 32.33 H new ATOM 0 HH22 ARG A 93 12.352 -11.070 13.896 1.00 32.33 H new ATOM 1504 N GLU A 94 7.190 -8.403 8.822 1.00 23.14 N ATOM 1505 CA GLU A 94 6.969 -9.285 7.689 1.00 3.50 C ATOM 1506 C GLU A 94 7.265 -8.586 6.361 1.00 31.40 C ATOM 1507 O GLU A 94 8.009 -9.115 5.530 1.00 45.54 O ATOM 1508 CB GLU A 94 5.535 -9.823 7.723 1.00 15.42 C ATOM 1509 CG GLU A 94 4.475 -8.743 7.884 1.00 3.41 C ATOM 1510 CD GLU A 94 3.092 -9.314 8.110 1.00 3.22 C ATOM 1511 OE1 GLU A 94 2.978 -10.543 8.303 1.00 64.21 O ATOM 1512 OE2 GLU A 94 2.118 -8.538 8.107 1.00 41.11 O ATOM 0 H GLU A 94 6.341 -8.131 9.317 1.00 23.14 H new ATOM 0 HA GLU A 94 7.662 -10.122 7.767 1.00 3.50 H new ATOM 0 HB2 GLU A 94 5.342 -10.373 6.802 1.00 15.42 H new ATOM 0 HB3 GLU A 94 5.443 -10.534 8.544 1.00 15.42 H new ATOM 0 HG2 GLU A 94 4.741 -8.101 8.724 1.00 3.41 H new ATOM 0 HG3 GLU A 94 4.464 -8.115 6.993 1.00 3.41 H new ATOM 1519 N SER A 95 6.714 -7.389 6.179 1.00 30.23 N ATOM 1520 CA SER A 95 6.807 -6.680 4.908 1.00 4.25 C ATOM 1521 C SER A 95 8.254 -6.398 4.531 1.00 43.32 C ATOM 1522 O SER A 95 8.654 -6.588 3.380 1.00 14.42 O ATOM 1523 CB SER A 95 6.013 -5.370 4.975 1.00 24.43 C ATOM 1524 OG SER A 95 6.039 -4.676 3.739 1.00 20.14 O ATOM 0 H SER A 95 6.196 -6.888 6.901 1.00 30.23 H new ATOM 0 HA SER A 95 6.380 -7.320 4.136 1.00 4.25 H new ATOM 0 HB2 SER A 95 4.980 -5.584 5.250 1.00 24.43 H new ATOM 0 HB3 SER A 95 6.426 -4.734 5.758 1.00 24.43 H new ATOM 0 HG SER A 95 5.204 -4.842 3.253 1.00 20.14 H new ATOM 1530 N LEU A 96 9.042 -5.974 5.501 1.00 45.34 N ATOM 1531 CA LEU A 96 10.413 -5.587 5.235 1.00 63.34 C ATOM 1532 C LEU A 96 11.309 -6.799 5.011 1.00 65.12 C ATOM 1533 O LEU A 96 12.189 -6.772 4.149 1.00 75.33 O ATOM 1534 CB LEU A 96 10.932 -4.744 6.387 1.00 53.13 C ATOM 1535 CG LEU A 96 10.672 -3.235 6.274 1.00 3.44 C ATOM 1536 CD1 LEU A 96 11.265 -2.687 4.989 1.00 31.30 C ATOM 1537 CD2 LEU A 96 9.184 -2.928 6.336 1.00 72.01 C ATOM 0 H LEU A 96 8.757 -5.889 6.477 1.00 45.34 H new ATOM 0 HA LEU A 96 10.432 -5.001 4.316 1.00 63.34 H new ATOM 0 HB2 LEU A 96 10.479 -5.105 7.311 1.00 53.13 H new ATOM 0 HB3 LEU A 96 12.007 -4.904 6.476 1.00 53.13 H new ATOM 0 HG LEU A 96 11.156 -2.749 7.121 1.00 3.44 H new ATOM 0 HD11 LEU A 96 11.071 -1.616 4.926 1.00 31.30 H new ATOM 0 HD12 LEU A 96 12.341 -2.862 4.981 1.00 31.30 H new ATOM 0 HD13 LEU A 96 10.810 -3.189 4.135 1.00 31.30 H new ATOM 0 HD21 LEU A 96 9.031 -1.852 6.254 1.00 72.01 H new ATOM 0 HD22 LEU A 96 8.674 -3.431 5.514 1.00 72.01 H new ATOM 0 HD23 LEU A 96 8.779 -3.281 7.285 1.00 72.01 H new ATOM 1549 N ARG A 97 11.077 -7.863 5.775 1.00 42.30 N ATOM 1550 CA ARG A 97 11.883 -9.073 5.648 1.00 43.42 C ATOM 1551 C ARG A 97 11.592 -9.804 4.339 1.00 54.23 C ATOM 1552 O ARG A 97 12.405 -10.603 3.876 1.00 52.25 O ATOM 1553 CB ARG A 97 11.652 -10.006 6.837 1.00 5.25 C ATOM 1554 CG ARG A 97 12.233 -9.480 8.139 1.00 25.02 C ATOM 1555 CD ARG A 97 13.743 -9.313 8.048 1.00 74.11 C ATOM 1556 NE ARG A 97 14.413 -10.580 7.762 1.00 52.24 N ATOM 1557 CZ ARG A 97 15.734 -10.744 7.761 1.00 33.45 C ATOM 1558 NH1 ARG A 97 16.539 -9.712 7.964 1.00 12.32 N ATOM 1559 NH2 ARG A 97 16.247 -11.945 7.537 1.00 40.23 N ATOM 0 H ARG A 97 10.344 -7.912 6.483 1.00 42.30 H new ATOM 0 HA ARG A 97 12.930 -8.769 5.639 1.00 43.42 H new ATOM 0 HB2 ARG A 97 10.581 -10.163 6.963 1.00 5.25 H new ATOM 0 HB3 ARG A 97 12.093 -10.978 6.617 1.00 5.25 H new ATOM 0 HG2 ARG A 97 11.774 -8.522 8.383 1.00 25.02 H new ATOM 0 HG3 ARG A 97 11.990 -10.166 8.951 1.00 25.02 H new ATOM 0 HD2 ARG A 97 13.982 -8.591 7.267 1.00 74.11 H new ATOM 0 HD3 ARG A 97 14.121 -8.906 8.986 1.00 74.11 H new ATOM 0 HE ARG A 97 13.831 -11.390 7.550 1.00 52.24 H new ATOM 0 HH11 ARG A 97 16.148 -8.783 8.123 1.00 12.32 H new ATOM 0 HH12 ARG A 97 17.550 -9.846 7.962 1.00 12.32 H new ATOM 0 HH21 ARG A 97 15.630 -12.739 7.366 1.00 40.23 H new ATOM 0 HH22 ARG A 97 17.259 -12.075 7.535 1.00 40.23 H new ATOM 1573 N ALA A 98 10.435 -9.539 3.750 1.00 12.43 N ATOM 1574 CA ALA A 98 10.092 -10.133 2.464 1.00 10.25 C ATOM 1575 C ALA A 98 10.714 -9.348 1.313 1.00 61.40 C ATOM 1576 O ALA A 98 11.243 -9.934 0.370 1.00 63.12 O ATOM 1577 CB ALA A 98 8.587 -10.210 2.296 1.00 74.32 C ATOM 0 H ALA A 98 9.722 -8.921 4.138 1.00 12.43 H new ATOM 0 HA ALA A 98 10.498 -11.144 2.444 1.00 10.25 H new ATOM 0 HB1 ALA A 98 8.351 -10.656 1.330 1.00 74.32 H new ATOM 0 HB2 ALA A 98 8.163 -10.822 3.092 1.00 74.32 H new ATOM 0 HB3 ALA A 98 8.164 -9.207 2.345 1.00 74.32 H new ATOM 1583 N ALA A 99 10.657 -8.022 1.399 1.00 34.02 N ATOM 1584 CA ALA A 99 11.204 -7.164 0.355 1.00 63.40 C ATOM 1585 C ALA A 99 12.727 -7.249 0.317 1.00 20.30 C ATOM 1586 O ALA A 99 13.306 -7.706 -0.668 1.00 34.15 O ATOM 1587 CB ALA A 99 10.760 -5.727 0.560 1.00 63.31 C ATOM 0 H ALA A 99 10.237 -7.519 2.181 1.00 34.02 H new ATOM 0 HA ALA A 99 10.821 -7.515 -0.603 1.00 63.40 H new ATOM 0 HB1 ALA A 99 11.178 -5.101 -0.229 1.00 63.31 H new ATOM 0 HB2 ALA A 99 9.672 -5.674 0.527 1.00 63.31 H new ATOM 0 HB3 ALA A 99 11.111 -5.372 1.529 1.00 63.31 H new ATOM 1593 N SER A 100 13.364 -6.790 1.395 1.00 3.33 N ATOM 1594 CA SER A 100 14.821 -6.860 1.542 1.00 14.13 C ATOM 1595 C SER A 100 15.573 -6.142 0.409 1.00 20.40 C ATOM 1596 O SER A 100 16.758 -6.388 0.199 1.00 63.52 O ATOM 1597 CB SER A 100 15.264 -8.325 1.608 1.00 31.23 C ATOM 1598 OG SER A 100 14.638 -9.001 2.689 1.00 43.12 O ATOM 0 H SER A 100 12.888 -6.361 2.189 1.00 3.33 H new ATOM 0 HA SER A 100 15.073 -6.344 2.469 1.00 14.13 H new ATOM 0 HB2 SER A 100 15.018 -8.825 0.671 1.00 31.23 H new ATOM 0 HB3 SER A 100 16.347 -8.376 1.722 1.00 31.23 H new ATOM 0 HG SER A 100 13.836 -9.462 2.366 1.00 43.12 H new ATOM 1604 N LEU A 101 14.907 -5.234 -0.301 1.00 71.12 N ATOM 1605 CA LEU A 101 15.550 -4.532 -1.411 1.00 52.43 C ATOM 1606 C LEU A 101 15.707 -3.046 -1.099 1.00 65.23 C ATOM 1607 O LEU A 101 15.850 -2.219 -2.000 1.00 63.01 O ATOM 1608 CB LEU A 101 14.769 -4.730 -2.727 1.00 31.01 C ATOM 1609 CG LEU A 101 13.536 -3.838 -2.945 1.00 75.21 C ATOM 1610 CD1 LEU A 101 13.012 -4.003 -4.363 1.00 60.52 C ATOM 1611 CD2 LEU A 101 12.435 -4.155 -1.947 1.00 35.10 C ATOM 0 H LEU A 101 13.937 -4.969 -0.132 1.00 71.12 H new ATOM 0 HA LEU A 101 16.543 -4.962 -1.541 1.00 52.43 H new ATOM 0 HB2 LEU A 101 15.456 -4.567 -3.557 1.00 31.01 H new ATOM 0 HB3 LEU A 101 14.448 -5.770 -2.778 1.00 31.01 H new ATOM 0 HG LEU A 101 13.844 -2.804 -2.791 1.00 75.21 H new ATOM 0 HD11 LEU A 101 12.139 -3.366 -4.505 1.00 60.52 H new ATOM 0 HD12 LEU A 101 13.788 -3.718 -5.073 1.00 60.52 H new ATOM 0 HD13 LEU A 101 12.733 -5.044 -4.529 1.00 60.52 H new ATOM 0 HD21 LEU A 101 11.579 -3.505 -2.131 1.00 35.10 H new ATOM 0 HD22 LEU A 101 12.131 -5.196 -2.059 1.00 35.10 H new ATOM 0 HD23 LEU A 101 12.804 -3.991 -0.934 1.00 35.10 H new ATOM 1623 N LEU A 102 15.731 -2.715 0.186 1.00 44.23 N ATOM 1624 CA LEU A 102 15.814 -1.320 0.620 1.00 45.12 C ATOM 1625 C LEU A 102 17.100 -0.660 0.142 1.00 13.02 C ATOM 1626 O LEU A 102 17.159 0.556 -0.018 1.00 50.44 O ATOM 1627 CB LEU A 102 15.732 -1.224 2.141 1.00 62.34 C ATOM 1628 CG LEU A 102 14.427 -1.725 2.750 1.00 65.21 C ATOM 1629 CD1 LEU A 102 14.439 -1.518 4.255 1.00 75.31 C ATOM 1630 CD2 LEU A 102 13.238 -1.016 2.116 1.00 43.21 C ATOM 0 H LEU A 102 15.694 -3.391 0.949 1.00 44.23 H new ATOM 0 HA LEU A 102 14.969 -0.794 0.176 1.00 45.12 H new ATOM 0 HB2 LEU A 102 16.557 -1.792 2.571 1.00 62.34 H new ATOM 0 HB3 LEU A 102 15.875 -0.183 2.432 1.00 62.34 H new ATOM 0 HG LEU A 102 14.332 -2.792 2.549 1.00 65.21 H new ATOM 0 HD11 LEU A 102 13.502 -1.879 4.679 1.00 75.31 H new ATOM 0 HD12 LEU A 102 15.272 -2.069 4.691 1.00 75.31 H new ATOM 0 HD13 LEU A 102 14.552 -0.456 4.475 1.00 75.31 H new ATOM 0 HD21 LEU A 102 12.314 -1.385 2.562 1.00 43.21 H new ATOM 0 HD22 LEU A 102 13.320 0.057 2.288 1.00 43.21 H new ATOM 0 HD23 LEU A 102 13.227 -1.212 1.044 1.00 43.21 H new ATOM 1642 N ASP A 103 18.117 -1.472 -0.098 1.00 13.04 N ATOM 1643 CA ASP A 103 19.420 -0.988 -0.543 1.00 13.31 C ATOM 1644 C ASP A 103 19.322 -0.246 -1.873 1.00 71.50 C ATOM 1645 O ASP A 103 20.164 0.597 -2.184 1.00 11.34 O ATOM 1646 CB ASP A 103 20.387 -2.163 -0.686 1.00 72.54 C ATOM 1647 CG ASP A 103 20.552 -2.939 0.603 1.00 1.24 C ATOM 1648 OD1 ASP A 103 19.602 -3.646 0.998 1.00 4.12 O ATOM 1649 OD2 ASP A 103 21.632 -2.853 1.226 1.00 31.45 O ATOM 0 H ASP A 103 18.066 -2.485 0.009 1.00 13.04 H new ATOM 0 HA ASP A 103 19.789 -0.289 0.208 1.00 13.31 H new ATOM 0 HB2 ASP A 103 20.026 -2.833 -1.466 1.00 72.54 H new ATOM 0 HB3 ASP A 103 21.359 -1.792 -1.010 1.00 72.54 H new ATOM 1654 N LYS A 104 18.295 -0.554 -2.655 1.00 75.34 N ATOM 1655 CA LYS A 104 18.153 0.041 -3.976 1.00 72.12 C ATOM 1656 C LYS A 104 16.953 0.986 -4.050 1.00 41.44 C ATOM 1657 O LYS A 104 17.041 2.056 -4.653 1.00 25.04 O ATOM 1658 CB LYS A 104 18.059 -1.057 -5.039 1.00 1.40 C ATOM 1659 CG LYS A 104 16.923 -2.039 -4.815 1.00 1.33 C ATOM 1660 CD LYS A 104 17.229 -3.413 -5.394 1.00 42.04 C ATOM 1661 CE LYS A 104 18.338 -4.124 -4.626 1.00 2.33 C ATOM 1662 NZ LYS A 104 19.698 -3.735 -5.091 1.00 51.40 N ATOM 0 H LYS A 104 17.554 -1.207 -2.400 1.00 75.34 H new ATOM 0 HA LYS A 104 19.040 0.643 -4.171 1.00 72.12 H new ATOM 0 HB2 LYS A 104 17.936 -0.592 -6.017 1.00 1.40 H new ATOM 0 HB3 LYS A 104 19.000 -1.606 -5.064 1.00 1.40 H new ATOM 0 HG2 LYS A 104 16.730 -2.132 -3.746 1.00 1.33 H new ATOM 0 HG3 LYS A 104 16.013 -1.649 -5.270 1.00 1.33 H new ATOM 0 HD2 LYS A 104 16.326 -4.023 -5.375 1.00 42.04 H new ATOM 0 HD3 LYS A 104 17.521 -3.309 -6.439 1.00 42.04 H new ATOM 0 HE2 LYS A 104 18.243 -3.897 -3.564 1.00 2.33 H new ATOM 0 HE3 LYS A 104 18.216 -5.202 -4.734 1.00 2.33 H new ATOM 0 HZ1 LYS A 104 20.276 -4.589 -5.226 1.00 51.40 H new ATOM 0 HZ2 LYS A 104 19.623 -3.222 -5.992 1.00 51.40 H new ATOM 0 HZ3 LYS A 104 20.146 -3.122 -4.380 1.00 51.40 H new ATOM 1676 N ILE A 105 15.840 0.607 -3.433 1.00 2.50 N ATOM 1677 CA ILE A 105 14.648 1.448 -3.459 1.00 63.12 C ATOM 1678 C ILE A 105 14.731 2.543 -2.395 1.00 24.13 C ATOM 1679 O ILE A 105 14.344 3.686 -2.632 1.00 50.41 O ATOM 1680 CB ILE A 105 13.352 0.614 -3.301 1.00 72.11 C ATOM 1681 CG1 ILE A 105 13.386 -0.262 -2.051 1.00 31.33 C ATOM 1682 CG2 ILE A 105 13.128 -0.241 -4.534 1.00 60.30 C ATOM 1683 CD1 ILE A 105 12.583 0.295 -0.901 1.00 31.23 C ATOM 0 H ILE A 105 15.737 -0.265 -2.915 1.00 2.50 H new ATOM 0 HA ILE A 105 14.606 1.926 -4.438 1.00 63.12 H new ATOM 0 HB ILE A 105 12.523 1.312 -3.189 1.00 72.11 H new ATOM 0 HG12 ILE A 105 13.007 -1.253 -2.301 1.00 31.33 H new ATOM 0 HG13 ILE A 105 14.421 -0.387 -1.733 1.00 31.33 H new ATOM 0 HG21 ILE A 105 12.214 -0.823 -4.412 1.00 60.30 H new ATOM 0 HG22 ILE A 105 13.035 0.401 -5.410 1.00 60.30 H new ATOM 0 HG23 ILE A 105 13.973 -0.916 -4.667 1.00 60.30 H new ATOM 0 HD11 ILE A 105 12.653 -0.380 -0.048 1.00 31.23 H new ATOM 0 HD12 ILE A 105 12.975 1.273 -0.623 1.00 31.23 H new ATOM 0 HD13 ILE A 105 11.540 0.394 -1.200 1.00 31.23 H new ATOM 1695 N GLY A 106 15.275 2.191 -1.240 1.00 62.55 N ATOM 1696 CA GLY A 106 15.508 3.164 -0.189 1.00 55.32 C ATOM 1697 C GLY A 106 14.248 3.635 0.514 1.00 75.53 C ATOM 1698 O GLY A 106 13.837 3.062 1.525 1.00 2.43 O ATOM 0 H GLY A 106 15.562 1.240 -1.009 1.00 62.55 H new ATOM 0 HA2 GLY A 106 16.182 2.730 0.550 1.00 55.32 H new ATOM 0 HA3 GLY A 106 16.017 4.028 -0.616 1.00 55.32 H new ATOM 1702 N GLU A 107 13.630 4.674 -0.029 1.00 33.21 N ATOM 1703 CA GLU A 107 12.567 5.392 0.668 1.00 51.13 C ATOM 1704 C GLU A 107 11.205 5.185 0.010 1.00 22.11 C ATOM 1705 O GLU A 107 10.297 5.997 0.186 1.00 72.23 O ATOM 1706 CB GLU A 107 12.912 6.880 0.707 1.00 13.43 C ATOM 1707 CG GLU A 107 14.234 7.169 1.404 1.00 61.30 C ATOM 1708 CD GLU A 107 14.739 8.575 1.160 1.00 54.40 C ATOM 1709 OE1 GLU A 107 15.475 8.783 0.172 1.00 43.25 O ATOM 1710 OE2 GLU A 107 14.425 9.477 1.967 1.00 65.04 O ATOM 0 H GLU A 107 13.847 5.042 -0.955 1.00 33.21 H new ATOM 0 HA GLU A 107 12.496 4.995 1.681 1.00 51.13 H new ATOM 0 HB2 GLU A 107 12.954 7.264 -0.312 1.00 13.43 H new ATOM 0 HB3 GLU A 107 12.114 7.419 1.218 1.00 13.43 H new ATOM 0 HG2 GLU A 107 14.114 7.013 2.476 1.00 61.30 H new ATOM 0 HG3 GLU A 107 14.983 6.456 1.060 1.00 61.30 H new ATOM 1717 N ASP A 108 11.067 4.089 -0.731 1.00 3.22 N ATOM 1718 CA ASP A 108 9.806 3.752 -1.398 1.00 43.43 C ATOM 1719 C ASP A 108 8.656 3.659 -0.408 1.00 75.01 C ATOM 1720 O ASP A 108 7.687 4.414 -0.482 1.00 4.10 O ATOM 1721 CB ASP A 108 9.918 2.416 -2.136 1.00 1.01 C ATOM 1722 CG ASP A 108 10.631 2.521 -3.468 1.00 32.22 C ATOM 1723 OD1 ASP A 108 11.642 3.247 -3.552 1.00 54.34 O ATOM 1724 OD2 ASP A 108 10.178 1.873 -4.433 1.00 51.33 O ATOM 0 H ASP A 108 11.815 3.414 -0.887 1.00 3.22 H new ATOM 0 HA ASP A 108 9.604 4.554 -2.108 1.00 43.43 H new ATOM 0 HB2 ASP A 108 10.448 1.704 -1.504 1.00 1.01 H new ATOM 0 HB3 ASP A 108 8.918 2.015 -2.299 1.00 1.01 H new ATOM 1729 N HIS A 109 8.763 2.725 0.524 1.00 34.13 N ATOM 1730 CA HIS A 109 7.671 2.465 1.444 1.00 4.14 C ATOM 1731 C HIS A 109 8.115 2.573 2.899 1.00 43.43 C ATOM 1732 O HIS A 109 9.003 1.848 3.350 1.00 14.24 O ATOM 1733 CB HIS A 109 7.024 1.098 1.164 1.00 14.33 C ATOM 1734 CG HIS A 109 7.972 -0.067 1.061 1.00 43.11 C ATOM 1735 ND1 HIS A 109 8.701 -0.554 2.121 1.00 30.50 N ATOM 1736 CD2 HIS A 109 8.252 -0.879 0.017 1.00 14.30 C ATOM 1737 CE1 HIS A 109 9.383 -1.614 1.734 1.00 2.22 C ATOM 1738 NE2 HIS A 109 9.128 -1.842 0.458 1.00 30.52 N ATOM 0 H HIS A 109 9.587 2.140 0.662 1.00 34.13 H new ATOM 0 HA HIS A 109 6.919 3.236 1.277 1.00 4.14 H new ATOM 0 HB2 HIS A 109 6.305 0.888 1.956 1.00 14.33 H new ATOM 0 HB3 HIS A 109 6.461 1.167 0.233 1.00 14.33 H new ATOM 0 HD1 HIS A 109 8.712 -0.157 3.060 1.00 30.50 H new ATOM 0 HD2 HIS A 109 7.858 -0.787 -0.984 1.00 14.30 H new ATOM 0 HE1 HIS A 109 10.042 -2.200 2.358 1.00 2.22 H new ATOM 1747 N ILE A 110 7.480 3.484 3.621 1.00 52.53 N ATOM 1748 CA ILE A 110 7.755 3.695 5.037 1.00 40.31 C ATOM 1749 C ILE A 110 6.457 3.567 5.831 1.00 0.21 C ATOM 1750 O ILE A 110 5.501 2.948 5.361 1.00 14.43 O ATOM 1751 CB ILE A 110 8.423 5.071 5.326 1.00 12.41 C ATOM 1752 CG1 ILE A 110 7.471 6.257 5.070 1.00 63.04 C ATOM 1753 CG2 ILE A 110 9.696 5.227 4.504 1.00 4.20 C ATOM 1754 CD1 ILE A 110 7.171 6.534 3.614 1.00 65.24 C ATOM 0 H ILE A 110 6.759 4.099 3.243 1.00 52.53 H new ATOM 0 HA ILE A 110 8.467 2.930 5.347 1.00 40.31 H new ATOM 0 HB ILE A 110 8.674 5.086 6.387 1.00 12.41 H new ATOM 0 HG12 ILE A 110 6.531 6.068 5.589 1.00 63.04 H new ATOM 0 HG13 ILE A 110 7.905 7.154 5.513 1.00 63.04 H new ATOM 0 HG21 ILE A 110 10.151 6.194 4.718 1.00 4.20 H new ATOM 0 HG22 ILE A 110 10.396 4.432 4.762 1.00 4.20 H new ATOM 0 HG23 ILE A 110 9.454 5.166 3.443 1.00 4.20 H new ATOM 0 HD11 ILE A 110 6.494 7.385 3.537 1.00 65.24 H new ATOM 0 HD12 ILE A 110 8.099 6.760 3.088 1.00 65.24 H new ATOM 0 HD13 ILE A 110 6.704 5.657 3.166 1.00 65.24 H new ATOM 1766 N PHE A 111 6.417 4.134 7.031 1.00 2.01 N ATOM 1767 CA PHE A 111 5.246 4.002 7.886 1.00 35.12 C ATOM 1768 C PHE A 111 4.818 5.353 8.454 1.00 21.53 C ATOM 1769 O PHE A 111 5.607 6.031 9.111 1.00 74.23 O ATOM 1770 CB PHE A 111 5.534 3.010 9.018 1.00 23.05 C ATOM 1771 CG PHE A 111 5.877 1.633 8.520 1.00 52.35 C ATOM 1772 CD1 PHE A 111 4.882 0.693 8.308 1.00 12.41 C ATOM 1773 CD2 PHE A 111 7.190 1.282 8.251 1.00 42.44 C ATOM 1774 CE1 PHE A 111 5.189 -0.566 7.836 1.00 31.02 C ATOM 1775 CE2 PHE A 111 7.504 0.023 7.781 1.00 53.50 C ATOM 1776 CZ PHE A 111 6.501 -0.902 7.571 1.00 14.53 C ATOM 0 H PHE A 111 7.176 4.685 7.431 1.00 2.01 H new ATOM 0 HA PHE A 111 4.423 3.622 7.281 1.00 35.12 H new ATOM 0 HB2 PHE A 111 6.358 3.387 9.623 1.00 23.05 H new ATOM 0 HB3 PHE A 111 4.663 2.948 9.670 1.00 23.05 H new ATOM 0 HD1 PHE A 111 3.853 0.949 8.515 1.00 12.41 H new ATOM 0 HD2 PHE A 111 7.978 2.003 8.411 1.00 42.44 H new ATOM 0 HE1 PHE A 111 4.403 -1.289 7.674 1.00 31.02 H new ATOM 0 HE2 PHE A 111 8.532 -0.238 7.578 1.00 53.50 H new ATOM 0 HZ PHE A 111 6.743 -1.887 7.200 1.00 14.53 H new ATOM 1786 N MET A 112 3.561 5.720 8.182 1.00 4.33 N ATOM 1787 CA MET A 112 2.960 6.975 8.657 1.00 52.14 C ATOM 1788 C MET A 112 3.823 8.190 8.306 1.00 41.31 C ATOM 1789 O MET A 112 4.716 8.571 9.065 1.00 1.15 O ATOM 1790 CB MET A 112 2.718 6.921 10.170 1.00 62.10 C ATOM 1791 CG MET A 112 1.949 8.115 10.729 1.00 21.00 C ATOM 1792 SD MET A 112 0.194 8.114 10.289 1.00 52.13 S ATOM 1793 CE MET A 112 0.222 8.733 8.605 1.00 32.24 C ATOM 0 H MET A 112 2.926 5.151 7.622 1.00 4.33 H new ATOM 0 HA MET A 112 2.003 7.087 8.147 1.00 52.14 H new ATOM 0 HB2 MET A 112 2.170 6.009 10.406 1.00 62.10 H new ATOM 0 HB3 MET A 112 3.680 6.854 10.677 1.00 62.10 H new ATOM 0 HG2 MET A 112 2.043 8.121 11.815 1.00 21.00 H new ATOM 0 HG3 MET A 112 2.406 9.035 10.364 1.00 21.00 H new ATOM 0 HE1 MET A 112 -0.560 8.243 8.024 1.00 32.24 H new ATOM 0 HE2 MET A 112 0.050 9.809 8.610 1.00 32.24 H new ATOM 0 HE3 MET A 112 1.193 8.523 8.156 1.00 32.24 H new ATOM 1803 N THR A 113 3.544 8.808 7.161 1.00 24.33 N ATOM 1804 CA THR A 113 4.376 9.903 6.670 1.00 22.13 C ATOM 1805 C THR A 113 3.735 10.651 5.495 1.00 3.23 C ATOM 1806 O THR A 113 3.826 11.877 5.401 1.00 52.14 O ATOM 1807 CB THR A 113 5.764 9.368 6.243 1.00 33.22 C ATOM 1808 OG1 THR A 113 6.632 9.300 7.378 1.00 24.14 O ATOM 1809 CG2 THR A 113 6.388 10.223 5.151 1.00 75.31 C ATOM 0 H THR A 113 2.755 8.572 6.560 1.00 24.33 H new ATOM 0 HA THR A 113 4.482 10.611 7.492 1.00 22.13 H new ATOM 0 HB THR A 113 5.624 8.367 5.834 1.00 33.22 H new ATOM 0 HG1 THR A 113 6.097 9.209 8.194 1.00 24.14 H new ATOM 0 HG21 THR A 113 7.361 9.814 4.880 1.00 75.31 H new ATOM 0 HG22 THR A 113 5.739 10.226 4.275 1.00 75.31 H new ATOM 0 HG23 THR A 113 6.512 11.243 5.514 1.00 75.31 H new ATOM 1817 N LEU A 114 3.074 9.909 4.616 1.00 10.13 N ATOM 1818 CA LEU A 114 2.650 10.435 3.316 1.00 55.12 C ATOM 1819 C LEU A 114 1.742 11.674 3.381 1.00 11.23 C ATOM 1820 O LEU A 114 1.892 12.553 2.533 1.00 31.45 O ATOM 1821 CB LEU A 114 2.009 9.334 2.481 1.00 44.52 C ATOM 1822 CG LEU A 114 2.987 8.575 1.580 1.00 64.42 C ATOM 1823 CD1 LEU A 114 4.196 8.091 2.362 1.00 11.23 C ATOM 1824 CD2 LEU A 114 2.298 7.403 0.920 1.00 74.23 C ATOM 0 H LEU A 114 2.817 8.935 4.777 1.00 10.13 H new ATOM 0 HA LEU A 114 3.563 10.784 2.834 1.00 55.12 H new ATOM 0 HB2 LEU A 114 1.523 8.623 3.150 1.00 44.52 H new ATOM 0 HB3 LEU A 114 1.228 9.773 1.861 1.00 44.52 H new ATOM 0 HG LEU A 114 3.332 9.266 0.811 1.00 64.42 H new ATOM 0 HD11 LEU A 114 4.871 7.556 1.694 1.00 11.23 H new ATOM 0 HD12 LEU A 114 4.716 8.946 2.795 1.00 11.23 H new ATOM 0 HD13 LEU A 114 3.870 7.423 3.159 1.00 11.23 H new ATOM 0 HD21 LEU A 114 3.008 6.875 0.283 1.00 74.23 H new ATOM 0 HD22 LEU A 114 1.922 6.724 1.685 1.00 74.23 H new ATOM 0 HD23 LEU A 114 1.466 7.764 0.315 1.00 74.23 H new ATOM 1836 N PRO A 115 0.787 11.777 4.342 1.00 61.42 N ATOM 1837 CA PRO A 115 -0.010 13.004 4.518 1.00 53.51 C ATOM 1838 C PRO A 115 0.852 14.272 4.515 1.00 55.23 C ATOM 1839 O PRO A 115 0.455 15.307 3.980 1.00 45.23 O ATOM 1840 CB PRO A 115 -0.664 12.807 5.886 1.00 54.34 C ATOM 1841 CG PRO A 115 -0.838 11.336 6.002 1.00 11.20 C ATOM 1842 CD PRO A 115 0.363 10.718 5.281 1.00 41.43 C ATOM 0 HA PRO A 115 -0.721 13.146 3.704 1.00 53.51 H new ATOM 0 HB2 PRO A 115 -0.036 13.198 6.687 1.00 54.34 H new ATOM 0 HB3 PRO A 115 -1.620 13.327 5.948 1.00 54.34 H new ATOM 0 HG2 PRO A 115 -0.869 11.027 7.047 1.00 11.20 H new ATOM 0 HG3 PRO A 115 -1.775 11.016 5.547 1.00 11.20 H new ATOM 0 HD2 PRO A 115 1.159 10.458 5.979 1.00 41.43 H new ATOM 0 HD3 PRO A 115 0.088 9.803 4.756 1.00 41.43 H new ATOM 1850 N THR A 116 2.033 14.181 5.105 1.00 70.53 N ATOM 1851 CA THR A 116 2.973 15.289 5.103 1.00 35.33 C ATOM 1852 C THR A 116 3.863 15.229 3.860 1.00 64.31 C ATOM 1853 O THR A 116 4.121 16.245 3.212 1.00 11.10 O ATOM 1854 CB THR A 116 3.860 15.254 6.363 1.00 1.21 C ATOM 1855 OG1 THR A 116 3.051 15.034 7.528 1.00 65.33 O ATOM 1856 CG2 THR A 116 4.632 16.555 6.522 1.00 21.33 C ATOM 0 H THR A 116 2.364 13.348 5.593 1.00 70.53 H new ATOM 0 HA THR A 116 2.399 16.216 5.096 1.00 35.33 H new ATOM 0 HB THR A 116 4.572 14.437 6.252 1.00 1.21 H new ATOM 0 HG1 THR A 116 3.623 15.011 8.324 1.00 65.33 H new ATOM 0 HG21 THR A 116 5.250 16.504 7.418 1.00 21.33 H new ATOM 0 HG22 THR A 116 5.269 16.709 5.651 1.00 21.33 H new ATOM 0 HG23 THR A 116 3.931 17.385 6.611 1.00 21.33 H new ATOM 1864 N ALA A 117 4.299 14.017 3.526 1.00 44.24 N ATOM 1865 CA ALA A 117 5.262 13.798 2.452 1.00 51.33 C ATOM 1866 C ALA A 117 4.787 14.356 1.113 1.00 22.15 C ATOM 1867 O ALA A 117 5.381 15.293 0.583 1.00 72.25 O ATOM 1868 CB ALA A 117 5.583 12.319 2.312 1.00 63.44 C ATOM 0 H ALA A 117 3.995 13.162 3.991 1.00 44.24 H new ATOM 0 HA ALA A 117 6.165 14.342 2.729 1.00 51.33 H new ATOM 0 HB1 ALA A 117 6.303 12.178 1.506 1.00 63.44 H new ATOM 0 HB2 ALA A 117 6.006 11.949 3.246 1.00 63.44 H new ATOM 0 HB3 ALA A 117 4.670 11.769 2.084 1.00 63.44 H new ATOM 1874 N VAL A 118 3.716 13.791 0.568 1.00 15.33 N ATOM 1875 CA VAL A 118 3.263 14.176 -0.765 1.00 63.31 C ATOM 1876 C VAL A 118 2.812 15.634 -0.790 1.00 43.00 C ATOM 1877 O VAL A 118 3.148 16.382 -1.711 1.00 35.44 O ATOM 1878 CB VAL A 118 2.128 13.264 -1.292 1.00 21.51 C ATOM 1879 CG1 VAL A 118 2.621 11.836 -1.453 1.00 64.25 C ATOM 1880 CG2 VAL A 118 0.911 13.300 -0.380 1.00 33.44 C ATOM 0 H VAL A 118 3.150 13.073 1.021 1.00 15.33 H new ATOM 0 HA VAL A 118 4.119 14.054 -1.429 1.00 63.31 H new ATOM 0 HB VAL A 118 1.827 13.647 -2.267 1.00 21.51 H new ATOM 0 HG11 VAL A 118 1.809 11.210 -1.824 1.00 64.25 H new ATOM 0 HG12 VAL A 118 3.449 11.815 -2.162 1.00 64.25 H new ATOM 0 HG13 VAL A 118 2.959 11.457 -0.489 1.00 64.25 H new ATOM 0 HG21 VAL A 118 0.136 12.648 -0.782 1.00 33.44 H new ATOM 0 HG22 VAL A 118 1.192 12.958 0.616 1.00 33.44 H new ATOM 0 HG23 VAL A 118 0.532 14.320 -0.319 1.00 33.44 H new ATOM 1890 N GLN A 119 2.102 16.041 0.256 1.00 20.44 N ATOM 1891 CA GLN A 119 1.563 17.390 0.349 1.00 45.53 C ATOM 1892 C GLN A 119 2.677 18.435 0.325 1.00 60.25 C ATOM 1893 O GLN A 119 2.479 19.552 -0.149 1.00 1.31 O ATOM 1894 CB GLN A 119 0.727 17.527 1.626 1.00 60.25 C ATOM 1895 CG GLN A 119 0.210 18.935 1.885 1.00 13.34 C ATOM 1896 CD GLN A 119 -0.706 19.018 3.093 1.00 12.32 C ATOM 1897 OE1 GLN A 119 -1.584 19.879 3.160 1.00 64.11 O ATOM 1898 NE2 GLN A 119 -0.522 18.124 4.052 1.00 2.23 N ATOM 0 H GLN A 119 1.886 15.449 1.058 1.00 20.44 H new ATOM 0 HA GLN A 119 0.926 17.566 -0.518 1.00 45.53 H new ATOM 0 HB2 GLN A 119 -0.122 16.846 1.566 1.00 60.25 H new ATOM 0 HB3 GLN A 119 1.330 17.211 2.477 1.00 60.25 H new ATOM 0 HG2 GLN A 119 1.057 19.606 2.031 1.00 13.34 H new ATOM 0 HG3 GLN A 119 -0.327 19.287 1.004 1.00 13.34 H new ATOM 0 HE21 GLN A 119 0.215 17.425 3.963 1.00 2.23 H new ATOM 0 HE22 GLN A 119 -1.118 18.134 4.880 1.00 2.23 H new ATOM 1907 N ALA A 120 3.855 18.068 0.805 1.00 53.22 N ATOM 1908 CA ALA A 120 4.944 19.025 0.895 1.00 40.42 C ATOM 1909 C ALA A 120 6.025 18.778 -0.145 1.00 13.12 C ATOM 1910 O ALA A 120 6.318 19.654 -0.949 1.00 10.13 O ATOM 1911 CB ALA A 120 5.540 19.027 2.296 1.00 41.41 C ATOM 0 H ALA A 120 4.079 17.129 1.134 1.00 53.22 H new ATOM 0 HA ALA A 120 4.521 20.008 0.686 1.00 40.42 H new ATOM 0 HB1 ALA A 120 6.354 19.750 2.344 1.00 41.41 H new ATOM 0 HB2 ALA A 120 4.770 19.299 3.018 1.00 41.41 H new ATOM 0 HB3 ALA A 120 5.923 18.034 2.530 1.00 41.41 H new ATOM 1917 N PHE A 121 6.602 17.588 -0.154 1.00 30.15 N ATOM 1918 CA PHE A 121 7.752 17.310 -1.012 1.00 74.32 C ATOM 1919 C PHE A 121 7.362 17.282 -2.483 1.00 5.23 C ATOM 1920 O PHE A 121 8.199 17.501 -3.358 1.00 64.34 O ATOM 1921 CB PHE A 121 8.408 15.987 -0.625 1.00 55.24 C ATOM 1922 CG PHE A 121 8.880 15.952 0.798 1.00 14.34 C ATOM 1923 CD1 PHE A 121 10.007 16.656 1.190 1.00 42.22 C ATOM 1924 CD2 PHE A 121 8.191 15.218 1.743 1.00 5.11 C ATOM 1925 CE1 PHE A 121 10.436 16.624 2.504 1.00 32.13 C ATOM 1926 CE2 PHE A 121 8.613 15.181 3.057 1.00 24.01 C ATOM 1927 CZ PHE A 121 9.737 15.885 3.440 1.00 44.25 C ATOM 0 H PHE A 121 6.299 16.800 0.418 1.00 30.15 H new ATOM 0 HA PHE A 121 8.467 18.120 -0.865 1.00 74.32 H new ATOM 0 HB2 PHE A 121 7.697 15.177 -0.784 1.00 55.24 H new ATOM 0 HB3 PHE A 121 9.255 15.802 -1.286 1.00 55.24 H new ATOM 0 HD1 PHE A 121 10.556 17.235 0.462 1.00 42.22 H new ATOM 0 HD2 PHE A 121 7.310 14.666 1.450 1.00 5.11 H new ATOM 0 HE1 PHE A 121 11.316 17.176 2.799 1.00 32.13 H new ATOM 0 HE2 PHE A 121 8.064 14.602 3.785 1.00 24.01 H new ATOM 0 HZ PHE A 121 10.069 15.858 4.467 1.00 44.25 H new ATOM 1937 N ARG A 122 6.096 17.024 -2.758 1.00 10.12 N ATOM 1938 CA ARG A 122 5.627 16.972 -4.129 1.00 21.02 C ATOM 1939 C ARG A 122 5.172 18.355 -4.598 1.00 74.31 C ATOM 1940 O ARG A 122 5.155 18.642 -5.796 1.00 1.50 O ATOM 1941 CB ARG A 122 4.497 15.955 -4.225 1.00 52.52 C ATOM 1942 CG ARG A 122 3.749 15.966 -5.535 1.00 33.32 C ATOM 1943 CD ARG A 122 4.615 15.484 -6.689 1.00 24.01 C ATOM 1944 NE ARG A 122 3.818 15.211 -7.882 1.00 63.43 N ATOM 1945 CZ ARG A 122 4.323 14.874 -9.065 1.00 54.53 C ATOM 1946 NH1 ARG A 122 5.637 14.813 -9.244 1.00 53.14 N ATOM 1947 NH2 ARG A 122 3.507 14.599 -10.075 1.00 24.01 N ATOM 0 H ARG A 122 5.379 16.848 -2.054 1.00 10.12 H new ATOM 0 HA ARG A 122 6.441 16.662 -4.784 1.00 21.02 H new ATOM 0 HB2 ARG A 122 4.909 14.958 -4.066 1.00 52.52 H new ATOM 0 HB3 ARG A 122 3.790 16.141 -3.417 1.00 52.52 H new ATOM 0 HG2 ARG A 122 2.867 15.331 -5.454 1.00 33.32 H new ATOM 0 HG3 ARG A 122 3.397 16.976 -5.743 1.00 33.32 H new ATOM 0 HD2 ARG A 122 5.368 16.238 -6.919 1.00 24.01 H new ATOM 0 HD3 ARG A 122 5.148 14.581 -6.392 1.00 24.01 H new ATOM 0 HE ARG A 122 2.804 15.284 -7.802 1.00 63.43 H new ATOM 0 HH11 ARG A 122 6.267 15.025 -8.471 1.00 53.14 H new ATOM 0 HH12 ARG A 122 6.016 14.554 -10.155 1.00 53.14 H new ATOM 0 HH21 ARG A 122 2.497 14.647 -9.942 1.00 24.01 H new ATOM 0 HH22 ARG A 122 3.890 14.340 -10.984 1.00 24.01 H new ATOM 1961 N ARG A 123 4.823 19.214 -3.649 1.00 10.21 N ATOM 1962 CA ARG A 123 4.356 20.557 -3.973 1.00 53.52 C ATOM 1963 C ARG A 123 5.500 21.561 -3.922 1.00 53.34 C ATOM 1964 O ARG A 123 5.663 22.372 -4.833 1.00 35.31 O ATOM 1965 CB ARG A 123 3.234 20.991 -3.023 1.00 62.02 C ATOM 1966 CG ARG A 123 1.855 20.473 -3.413 1.00 71.13 C ATOM 1967 CD ARG A 123 1.744 18.956 -3.309 1.00 63.33 C ATOM 1968 NE ARG A 123 0.541 18.464 -3.982 1.00 41.33 N ATOM 1969 CZ ARG A 123 0.311 17.187 -4.283 1.00 63.11 C ATOM 1970 NH1 ARG A 123 1.116 16.235 -3.836 1.00 74.24 N ATOM 1971 NH2 ARG A 123 -0.751 16.853 -5.005 1.00 64.02 N ATOM 0 H ARG A 123 4.854 19.006 -2.651 1.00 10.21 H new ATOM 0 HA ARG A 123 3.962 20.532 -4.989 1.00 53.52 H new ATOM 0 HB2 ARG A 123 3.470 20.644 -2.017 1.00 62.02 H new ATOM 0 HB3 ARG A 123 3.204 22.080 -2.986 1.00 62.02 H new ATOM 0 HG2 ARG A 123 1.104 20.933 -2.771 1.00 71.13 H new ATOM 0 HG3 ARG A 123 1.632 20.780 -4.435 1.00 71.13 H new ATOM 0 HD2 ARG A 123 2.626 18.493 -3.752 1.00 63.33 H new ATOM 0 HD3 ARG A 123 1.723 18.662 -2.260 1.00 63.33 H new ATOM 0 HE ARG A 123 -0.172 19.147 -4.239 1.00 41.33 H new ATOM 0 HH11 ARG A 123 1.920 16.477 -3.256 1.00 74.24 H new ATOM 0 HH12 ARG A 123 0.932 15.260 -4.071 1.00 74.24 H new ATOM 0 HH21 ARG A 123 -1.394 17.575 -5.331 1.00 64.02 H new ATOM 0 HH22 ARG A 123 -0.925 15.874 -5.234 1.00 64.02 H new ATOM 1985 N ARG A 124 6.294 21.472 -2.857 1.00 30.11 N ATOM 1986 CA ARG A 124 7.416 22.376 -2.617 1.00 53.13 C ATOM 1987 C ARG A 124 6.923 23.815 -2.526 1.00 12.40 C ATOM 1988 O ARG A 124 6.360 24.181 -1.474 1.00 75.31 O ATOM 1989 CB ARG A 124 8.482 22.237 -3.709 1.00 14.54 C ATOM 1990 CG ARG A 124 8.954 20.807 -3.918 1.00 33.15 C ATOM 1991 CD ARG A 124 9.653 20.251 -2.685 1.00 23.43 C ATOM 1992 NE ARG A 124 10.981 20.829 -2.495 1.00 74.22 N ATOM 1993 CZ ARG A 124 11.904 20.325 -1.675 1.00 15.15 C ATOM 1994 NH1 ARG A 124 11.628 19.255 -0.943 1.00 21.12 N ATOM 1995 NH2 ARG A 124 13.097 20.896 -1.585 1.00 24.42 N ATOM 0 H ARG A 124 6.176 20.765 -2.131 1.00 30.11 H new ATOM 0 HA ARG A 124 7.876 22.103 -1.667 1.00 53.13 H new ATOM 0 HB2 ARG A 124 8.081 22.620 -4.648 1.00 14.54 H new ATOM 0 HB3 ARG A 124 9.339 22.860 -3.451 1.00 14.54 H new ATOM 0 HG2 ARG A 124 8.100 20.176 -4.166 1.00 33.15 H new ATOM 0 HG3 ARG A 124 9.635 20.771 -4.768 1.00 33.15 H new ATOM 0 HD2 ARG A 124 9.043 20.449 -1.804 1.00 23.43 H new ATOM 0 HD3 ARG A 124 9.740 19.168 -2.776 1.00 23.43 H new ATOM 0 HE ARG A 124 11.217 21.670 -3.022 1.00 74.22 H new ATOM 0 HH11 ARG A 124 10.709 18.817 -1.007 1.00 21.12 H new ATOM 0 HH12 ARG A 124 12.334 18.870 -0.316 1.00 21.12 H new ATOM 0 HH21 ARG A 124 13.310 21.722 -2.144 1.00 24.42 H new ATOM 0 HH22 ARG A 124 13.802 20.509 -0.957 1.00 24.42 H new TER 2009 ARG A 124