USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=16 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 -121:sc= -4.97! (180deg=-5.42!) USER MOD Set 1.2: A 112 MET CE :methyl -115:sc= -2.31 (180deg=-4.55!) USER MOD Set 2.1: A 54 ASN : amide:sc= -5.5! C(o=-5.5!,f=-16!) USER MOD Set 2.2: A 58 ASN : amide:sc=-0.00302 K(o=-5.5,f=-8) USER MOD Set 3.1: A 39 THR OG1 : rot 180:sc= 0.475 USER MOD Set 3.2: A 43 GLN : amide:sc= -2.58! C(o=-2.1!,f=-6.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= 0.911 K(o=0.91,f=-5.3!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.16 K(o=-1.2,f=-9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 84:sc= 1.25 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 CYS SG : rot -75:sc= -1.78! USER MOD Single : A 29 ASN : amide:sc= 0.281 K(o=0.28,f=-5.2!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 57 SER OG : rot 88:sc= 1.23 USER MOD Single : A 64 THR OG1 : rot 139:sc= 0.823 USER MOD Single : A 71 GLN : amide:sc= 0.742 K(o=0.74,f=-0.064) USER MOD Single : A 74 THR OG1 : rot 99:sc= -0.784 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.4) USER MOD Single : A 95 SER OG : rot 91:sc= 1.27 USER MOD Single : A 100 SER OG : rot -18:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000116) USER MOD Single : A 109 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.5) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.922 -2.195 1.354 1.00 50.13 N ATOM 2 CA MET A 1 -21.094 -2.450 2.221 1.00 21.45 C ATOM 3 C MET A 1 -20.621 -2.660 3.656 1.00 13.22 C ATOM 4 O MET A 1 -20.669 -1.740 4.472 1.00 35.32 O ATOM 5 CB MET A 1 -21.872 -3.672 1.715 1.00 43.54 C ATOM 6 CG MET A 1 -23.303 -3.780 2.236 1.00 22.42 C ATOM 7 SD MET A 1 -23.410 -4.153 4.000 1.00 0.23 S ATOM 8 CE MET A 1 -25.182 -4.301 4.207 1.00 40.10 C ATOM 0 H1 MET A 1 -20.240 -2.051 0.374 1.00 50.13 H new ATOM 0 H2 MET A 1 -19.424 -1.344 1.685 1.00 50.13 H new ATOM 0 H3 MET A 1 -19.278 -3.010 1.393 1.00 50.13 H new ATOM 0 HA MET A 1 -21.765 -1.591 2.193 1.00 21.45 H new ATOM 0 HB2 MET A 1 -21.898 -3.643 0.626 1.00 43.54 H new ATOM 0 HB3 MET A 1 -21.328 -4.574 1.997 1.00 43.54 H new ATOM 0 HG2 MET A 1 -23.823 -2.842 2.040 1.00 22.42 H new ATOM 0 HG3 MET A 1 -23.826 -4.557 1.678 1.00 22.42 H new ATOM 0 HE1 MET A 1 -25.409 -4.531 5.248 1.00 40.10 H new ATOM 0 HE2 MET A 1 -25.660 -3.361 3.930 1.00 40.10 H new ATOM 0 HE3 MET A 1 -25.557 -5.101 3.569 1.00 40.10 H new ATOM 20 N HIS A 2 -20.152 -3.864 3.957 1.00 52.04 N ATOM 21 CA HIS A 2 -19.568 -4.149 5.259 1.00 62.13 C ATOM 22 C HIS A 2 -18.155 -4.675 5.060 1.00 62.34 C ATOM 23 O HIS A 2 -17.835 -5.184 3.982 1.00 61.34 O ATOM 24 CB HIS A 2 -20.423 -5.163 6.031 1.00 3.23 C ATOM 25 CG HIS A 2 -20.019 -5.327 7.468 1.00 12.33 C ATOM 26 ND1 HIS A 2 -19.129 -6.283 7.898 1.00 1.32 N ATOM 27 CD2 HIS A 2 -20.380 -4.632 8.573 1.00 41.44 C ATOM 28 CE1 HIS A 2 -18.961 -6.173 9.202 1.00 41.33 C ATOM 29 NE2 HIS A 2 -19.705 -5.176 9.640 1.00 51.21 N ATOM 0 H HIS A 2 -20.165 -4.658 3.317 1.00 52.04 H new ATOM 0 HA HIS A 2 -19.535 -3.233 5.849 1.00 62.13 H new ATOM 0 HB2 HIS A 2 -21.466 -4.850 5.990 1.00 3.23 H new ATOM 0 HB3 HIS A 2 -20.361 -6.131 5.533 1.00 3.23 H new ATOM 0 HD1 HIS A 2 -18.670 -6.971 7.301 1.00 1.32 H new ATOM 0 HD2 HIS A 2 -21.071 -3.803 8.609 1.00 41.44 H new ATOM 0 HE1 HIS A 2 -18.321 -6.796 9.809 1.00 41.33 H new ATOM 38 N ASP A 3 -17.317 -4.525 6.088 1.00 12.44 N ATOM 39 CA ASP A 3 -15.907 -4.925 6.038 1.00 30.34 C ATOM 40 C ASP A 3 -15.110 -3.897 5.253 1.00 31.51 C ATOM 41 O ASP A 3 -15.677 -3.157 4.452 1.00 22.03 O ATOM 42 CB ASP A 3 -15.720 -6.329 5.446 1.00 50.20 C ATOM 43 CG ASP A 3 -16.185 -7.429 6.378 1.00 13.31 C ATOM 44 OD1 ASP A 3 -17.411 -7.667 6.466 1.00 74.32 O ATOM 45 OD2 ASP A 3 -15.331 -8.066 7.026 1.00 22.41 O ATOM 0 H ASP A 3 -17.597 -4.121 6.982 1.00 12.44 H new ATOM 0 HA ASP A 3 -15.535 -4.966 7.062 1.00 30.34 H new ATOM 0 HB2 ASP A 3 -16.270 -6.398 4.508 1.00 50.20 H new ATOM 0 HB3 ASP A 3 -14.667 -6.481 5.210 1.00 50.20 H new ATOM 50 N ILE A 4 -13.800 -3.856 5.504 1.00 3.51 N ATOM 51 CA ILE A 4 -12.890 -2.829 4.972 1.00 43.21 C ATOM 52 C ILE A 4 -13.390 -1.424 5.306 1.00 73.21 C ATOM 53 O ILE A 4 -14.387 -1.253 6.012 1.00 53.14 O ATOM 54 CB ILE A 4 -12.623 -2.948 3.437 1.00 0.12 C ATOM 55 CG1 ILE A 4 -13.759 -2.341 2.602 1.00 50.21 C ATOM 56 CG2 ILE A 4 -12.402 -4.403 3.043 1.00 50.11 C ATOM 57 CD1 ILE A 4 -13.505 -2.361 1.111 1.00 72.13 C ATOM 0 H ILE A 4 -13.330 -4.545 6.092 1.00 3.51 H new ATOM 0 HA ILE A 4 -11.936 -3.008 5.468 1.00 43.21 H new ATOM 0 HB ILE A 4 -11.719 -2.377 3.225 1.00 0.12 H new ATOM 0 HG12 ILE A 4 -14.680 -2.885 2.811 1.00 50.21 H new ATOM 0 HG13 ILE A 4 -13.919 -1.310 2.919 1.00 50.21 H new ATOM 0 HG21 ILE A 4 -12.218 -4.466 1.971 1.00 50.11 H new ATOM 0 HG22 ILE A 4 -11.542 -4.800 3.583 1.00 50.11 H new ATOM 0 HG23 ILE A 4 -13.288 -4.986 3.293 1.00 50.11 H new ATOM 0 HD11 ILE A 4 -14.353 -1.915 0.591 1.00 72.13 H new ATOM 0 HD12 ILE A 4 -12.603 -1.792 0.888 1.00 72.13 H new ATOM 0 HD13 ILE A 4 -13.376 -3.391 0.778 1.00 72.13 H new ATOM 69 N ASP A 5 -12.677 -0.415 4.836 1.00 41.23 N ATOM 70 CA ASP A 5 -13.119 0.956 5.028 1.00 53.32 C ATOM 71 C ASP A 5 -14.037 1.352 3.881 1.00 72.13 C ATOM 72 O ASP A 5 -15.257 1.383 4.046 1.00 15.03 O ATOM 73 CB ASP A 5 -11.926 1.904 5.125 1.00 51.43 C ATOM 74 CG ASP A 5 -12.331 3.300 5.552 1.00 31.32 C ATOM 75 OD1 ASP A 5 -12.423 3.547 6.773 1.00 5.10 O ATOM 76 OD2 ASP A 5 -12.552 4.156 4.672 1.00 24.10 O ATOM 0 H ASP A 5 -11.800 -0.516 4.325 1.00 41.23 H new ATOM 0 HA ASP A 5 -13.669 1.027 5.966 1.00 53.32 H new ATOM 0 HB2 ASP A 5 -11.205 1.504 5.837 1.00 51.43 H new ATOM 0 HB3 ASP A 5 -11.425 1.954 4.158 1.00 51.43 H new ATOM 81 N ASP A 6 -13.440 1.612 2.716 1.00 30.14 N ATOM 82 CA ASP A 6 -14.189 1.878 1.486 1.00 51.43 C ATOM 83 C ASP A 6 -13.207 2.232 0.372 1.00 20.23 C ATOM 84 O ASP A 6 -12.011 1.959 0.492 1.00 30.35 O ATOM 85 CB ASP A 6 -15.198 3.017 1.684 1.00 71.34 C ATOM 86 CG ASP A 6 -16.347 2.958 0.696 1.00 61.13 C ATOM 87 OD1 ASP A 6 -17.332 2.234 0.964 1.00 31.45 O ATOM 88 OD2 ASP A 6 -16.274 3.639 -0.344 1.00 63.20 O ATOM 0 H ASP A 6 -12.427 1.644 2.599 1.00 30.14 H new ATOM 0 HA ASP A 6 -14.750 0.983 1.216 1.00 51.43 H new ATOM 0 HB2 ASP A 6 -15.594 2.974 2.699 1.00 71.34 H new ATOM 0 HB3 ASP A 6 -14.685 3.973 1.582 1.00 71.34 H new ATOM 93 N TYR A 7 -13.705 2.838 -0.699 1.00 11.11 N ATOM 94 CA TYR A 7 -12.865 3.249 -1.822 1.00 30.43 C ATOM 95 C TYR A 7 -13.497 4.450 -2.540 1.00 14.34 C ATOM 96 O TYR A 7 -13.746 4.414 -3.741 1.00 51.14 O ATOM 97 CB TYR A 7 -12.649 2.066 -2.792 1.00 44.03 C ATOM 98 CG TYR A 7 -13.919 1.502 -3.410 1.00 40.12 C ATOM 99 CD1 TYR A 7 -14.858 0.822 -2.641 1.00 13.04 C ATOM 100 CD2 TYR A 7 -14.177 1.658 -4.768 1.00 41.51 C ATOM 101 CE1 TYR A 7 -16.014 0.318 -3.206 1.00 74.25 C ATOM 102 CE2 TYR A 7 -15.333 1.159 -5.338 1.00 34.44 C ATOM 103 CZ TYR A 7 -16.244 0.490 -4.553 1.00 52.20 C ATOM 104 OH TYR A 7 -17.405 0.005 -5.114 1.00 24.14 O ATOM 0 H TYR A 7 -14.694 3.058 -0.815 1.00 11.11 H new ATOM 0 HA TYR A 7 -11.889 3.554 -1.445 1.00 30.43 H new ATOM 0 HB2 TYR A 7 -11.985 2.390 -3.594 1.00 44.03 H new ATOM 0 HB3 TYR A 7 -12.137 1.266 -2.257 1.00 44.03 H new ATOM 0 HD1 TYR A 7 -14.680 0.686 -1.584 1.00 13.04 H new ATOM 0 HD2 TYR A 7 -13.462 2.178 -5.388 1.00 41.51 H new ATOM 0 HE1 TYR A 7 -16.733 -0.208 -2.595 1.00 74.25 H new ATOM 0 HE2 TYR A 7 -15.520 1.293 -6.393 1.00 34.44 H new ATOM 0 HH TYR A 7 -17.415 0.209 -6.072 1.00 24.14 H new ATOM 114 N PRO A 8 -13.727 5.558 -1.813 1.00 32.20 N ATOM 115 CA PRO A 8 -14.508 6.689 -2.323 1.00 1.55 C ATOM 116 C PRO A 8 -13.682 7.697 -3.116 1.00 4.12 C ATOM 117 O PRO A 8 -14.133 8.816 -3.371 1.00 43.50 O ATOM 118 CB PRO A 8 -15.028 7.329 -1.040 1.00 31.42 C ATOM 119 CG PRO A 8 -13.939 7.112 -0.043 1.00 45.10 C ATOM 120 CD PRO A 8 -13.231 5.814 -0.446 1.00 22.13 C ATOM 0 HA PRO A 8 -15.277 6.365 -3.025 1.00 1.55 H new ATOM 0 HB2 PRO A 8 -15.231 8.391 -1.181 1.00 31.42 H new ATOM 0 HB3 PRO A 8 -15.960 6.866 -0.716 1.00 31.42 H new ATOM 0 HG2 PRO A 8 -13.242 7.950 -0.042 1.00 45.10 H new ATOM 0 HG3 PRO A 8 -14.346 7.035 0.965 1.00 45.10 H new ATOM 0 HD2 PRO A 8 -12.147 5.926 -0.427 1.00 22.13 H new ATOM 0 HD3 PRO A 8 -13.479 4.996 0.230 1.00 22.13 H new ATOM 128 N GLN A 9 -12.483 7.301 -3.509 1.00 74.21 N ATOM 129 CA GLN A 9 -11.581 8.195 -4.221 1.00 61.54 C ATOM 130 C GLN A 9 -10.708 7.416 -5.199 1.00 53.04 C ATOM 131 O GLN A 9 -10.260 6.309 -4.897 1.00 21.33 O ATOM 132 CB GLN A 9 -10.714 8.975 -3.219 1.00 64.20 C ATOM 133 CG GLN A 9 -9.555 9.731 -3.852 1.00 74.34 C ATOM 134 CD GLN A 9 -8.212 9.072 -3.587 1.00 55.21 C ATOM 135 OE1 GLN A 9 -7.178 9.736 -3.539 1.00 72.13 O ATOM 136 NE2 GLN A 9 -8.215 7.760 -3.414 1.00 22.53 N ATOM 0 H GLN A 9 -12.110 6.365 -3.348 1.00 74.21 H new ATOM 0 HA GLN A 9 -12.176 8.905 -4.795 1.00 61.54 H new ATOM 0 HB2 GLN A 9 -11.346 9.684 -2.684 1.00 64.20 H new ATOM 0 HB3 GLN A 9 -10.318 8.279 -2.479 1.00 64.20 H new ATOM 0 HG2 GLN A 9 -9.716 9.800 -4.928 1.00 74.34 H new ATOM 0 HG3 GLN A 9 -9.537 10.750 -3.467 1.00 74.34 H new ATOM 0 HE21 GLN A 9 -9.092 7.241 -3.461 1.00 22.53 H new ATOM 0 HE22 GLN A 9 -7.340 7.267 -3.234 1.00 22.53 H new ATOM 145 N ALA A 10 -10.459 8.013 -6.357 1.00 4.01 N ATOM 146 CA ALA A 10 -9.629 7.412 -7.378 1.00 52.40 C ATOM 147 C ALA A 10 -8.970 8.519 -8.184 1.00 3.11 C ATOM 148 O ALA A 10 -9.521 8.996 -9.175 1.00 53.11 O ATOM 149 CB ALA A 10 -10.445 6.492 -8.277 1.00 54.23 C ATOM 0 H ALA A 10 -10.830 8.929 -6.610 1.00 4.01 H new ATOM 0 HA ALA A 10 -8.861 6.798 -6.907 1.00 52.40 H new ATOM 0 HB1 ALA A 10 -9.796 6.054 -9.035 1.00 54.23 H new ATOM 0 HB2 ALA A 10 -10.889 5.698 -7.677 1.00 54.23 H new ATOM 0 HB3 ALA A 10 -11.235 7.065 -8.763 1.00 54.23 H new ATOM 155 N LYS A 11 -7.819 8.963 -7.709 1.00 34.34 N ATOM 156 CA LYS A 11 -7.092 10.036 -8.358 1.00 13.30 C ATOM 157 C LYS A 11 -5.869 9.485 -9.056 1.00 45.04 C ATOM 158 O LYS A 11 -5.583 8.297 -8.964 1.00 74.13 O ATOM 159 CB LYS A 11 -6.714 11.126 -7.347 1.00 65.34 C ATOM 160 CG LYS A 11 -7.921 11.877 -6.793 1.00 75.42 C ATOM 161 CD LYS A 11 -7.517 13.077 -5.949 1.00 22.04 C ATOM 162 CE LYS A 11 -6.857 12.659 -4.648 1.00 72.13 C ATOM 163 NZ LYS A 11 -6.360 13.833 -3.885 1.00 14.00 N ATOM 0 H LYS A 11 -7.368 8.594 -6.872 1.00 34.34 H new ATOM 0 HA LYS A 11 -7.736 10.494 -9.108 1.00 13.30 H new ATOM 0 HB2 LYS A 11 -6.166 10.672 -6.521 1.00 65.34 H new ATOM 0 HB3 LYS A 11 -6.040 11.837 -7.824 1.00 65.34 H new ATOM 0 HG2 LYS A 11 -8.549 12.211 -7.619 1.00 75.42 H new ATOM 0 HG3 LYS A 11 -8.523 11.198 -6.190 1.00 75.42 H new ATOM 0 HD2 LYS A 11 -6.832 13.706 -6.517 1.00 22.04 H new ATOM 0 HD3 LYS A 11 -8.398 13.681 -5.731 1.00 22.04 H new ATOM 0 HE2 LYS A 11 -7.571 12.104 -4.039 1.00 72.13 H new ATOM 0 HE3 LYS A 11 -6.027 11.985 -4.860 1.00 72.13 H new ATOM 0 HZ1 LYS A 11 -5.915 13.510 -3.002 1.00 14.00 H new ATOM 0 HZ2 LYS A 11 -5.661 14.348 -4.457 1.00 14.00 H new ATOM 0 HZ3 LYS A 11 -7.156 14.464 -3.661 1.00 14.00 H new ATOM 177 N ARG A 12 -5.177 10.340 -9.782 1.00 53.13 N ATOM 178 CA ARG A 12 -3.949 9.936 -10.460 1.00 50.01 C ATOM 179 C ARG A 12 -3.041 11.127 -10.748 1.00 64.41 C ATOM 180 O ARG A 12 -1.822 11.023 -10.629 1.00 74.20 O ATOM 181 CB ARG A 12 -4.233 9.174 -11.764 1.00 45.35 C ATOM 182 CG ARG A 12 -5.080 9.921 -12.788 1.00 25.44 C ATOM 183 CD ARG A 12 -6.567 9.749 -12.528 1.00 21.05 C ATOM 184 NE ARG A 12 -6.962 8.343 -12.532 1.00 75.51 N ATOM 185 CZ ARG A 12 -8.203 7.913 -12.328 1.00 30.11 C ATOM 186 NH1 ARG A 12 -9.195 8.781 -12.162 1.00 63.50 N ATOM 187 NH2 ARG A 12 -8.458 6.610 -12.305 1.00 62.44 N ATOM 0 H ARG A 12 -5.438 11.316 -9.921 1.00 53.13 H new ATOM 0 HA ARG A 12 -3.434 9.264 -9.774 1.00 50.01 H new ATOM 0 HB2 ARG A 12 -3.281 8.913 -12.227 1.00 45.35 H new ATOM 0 HB3 ARG A 12 -4.735 8.239 -11.516 1.00 45.35 H new ATOM 0 HG2 ARG A 12 -4.828 10.981 -12.764 1.00 25.44 H new ATOM 0 HG3 ARG A 12 -4.842 9.560 -13.789 1.00 25.44 H new ATOM 0 HD2 ARG A 12 -6.821 10.195 -11.566 1.00 21.05 H new ATOM 0 HD3 ARG A 12 -7.133 10.287 -13.288 1.00 21.05 H new ATOM 0 HE ARG A 12 -6.238 7.645 -12.703 1.00 75.51 H new ATOM 0 HH11 ARG A 12 -9.006 9.783 -12.191 1.00 63.50 H new ATOM 0 HH12 ARG A 12 -10.145 8.445 -12.006 1.00 63.50 H new ATOM 0 HH21 ARG A 12 -7.702 5.940 -12.444 1.00 62.44 H new ATOM 0 HH22 ARG A 12 -9.410 6.279 -12.148 1.00 62.44 H new ATOM 201 N VAL A 13 -3.627 12.252 -11.135 1.00 62.23 N ATOM 202 CA VAL A 13 -2.837 13.433 -11.463 1.00 74.15 C ATOM 203 C VAL A 13 -2.517 14.260 -10.212 1.00 44.02 C ATOM 204 O VAL A 13 -1.348 14.491 -9.919 1.00 31.53 O ATOM 205 CB VAL A 13 -3.529 14.323 -12.519 1.00 40.13 C ATOM 206 CG1 VAL A 13 -2.621 15.468 -12.935 1.00 62.32 C ATOM 207 CG2 VAL A 13 -3.934 13.496 -13.727 1.00 73.54 C ATOM 0 H VAL A 13 -4.635 12.373 -11.229 1.00 62.23 H new ATOM 0 HA VAL A 13 -1.903 13.068 -11.890 1.00 74.15 H new ATOM 0 HB VAL A 13 -4.429 14.747 -12.074 1.00 40.13 H new ATOM 0 HG11 VAL A 13 -3.128 16.082 -13.679 1.00 62.32 H new ATOM 0 HG12 VAL A 13 -2.381 16.077 -12.064 1.00 62.32 H new ATOM 0 HG13 VAL A 13 -1.701 15.067 -13.361 1.00 62.32 H new ATOM 0 HG21 VAL A 13 -4.420 14.138 -14.461 1.00 73.54 H new ATOM 0 HG22 VAL A 13 -3.048 13.043 -14.171 1.00 73.54 H new ATOM 0 HG23 VAL A 13 -4.625 12.712 -13.416 1.00 73.54 H new ATOM 217 N PRO A 14 -3.532 14.705 -9.434 1.00 71.40 N ATOM 218 CA PRO A 14 -3.293 15.511 -8.227 1.00 3.14 C ATOM 219 C PRO A 14 -2.909 14.655 -7.023 1.00 2.33 C ATOM 220 O PRO A 14 -3.194 15.009 -5.874 1.00 61.21 O ATOM 221 CB PRO A 14 -4.646 16.179 -7.988 1.00 51.03 C ATOM 222 CG PRO A 14 -5.638 15.179 -8.464 1.00 5.44 C ATOM 223 CD PRO A 14 -4.979 14.479 -9.654 1.00 14.31 C ATOM 0 HA PRO A 14 -2.466 16.209 -8.357 1.00 3.14 H new ATOM 0 HB2 PRO A 14 -4.793 16.414 -6.934 1.00 51.03 H new ATOM 0 HB3 PRO A 14 -4.730 17.116 -8.539 1.00 51.03 H new ATOM 0 HG2 PRO A 14 -5.884 14.466 -7.677 1.00 5.44 H new ATOM 0 HG3 PRO A 14 -6.570 15.661 -8.760 1.00 5.44 H new ATOM 0 HD2 PRO A 14 -5.220 13.416 -9.677 1.00 14.31 H new ATOM 0 HD3 PRO A 14 -5.311 14.902 -10.602 1.00 14.31 H new ATOM 231 N GLY A 15 -2.234 13.545 -7.283 1.00 43.01 N ATOM 232 CA GLY A 15 -1.890 12.619 -6.228 1.00 44.10 C ATOM 233 C GLY A 15 -3.043 11.704 -5.883 1.00 33.21 C ATOM 234 O GLY A 15 -4.183 12.149 -5.762 1.00 3.00 O ATOM 0 H GLY A 15 -1.917 13.269 -8.213 1.00 43.01 H new ATOM 0 HA2 GLY A 15 -1.032 12.021 -6.535 1.00 44.10 H new ATOM 0 HA3 GLY A 15 -1.590 13.175 -5.340 1.00 44.10 H new ATOM 238 N LEU A 16 -2.753 10.427 -5.741 1.00 20.11 N ATOM 239 CA LEU A 16 -3.752 9.438 -5.386 1.00 25.22 C ATOM 240 C LEU A 16 -3.377 8.802 -4.058 1.00 64.45 C ATOM 241 O LEU A 16 -2.205 8.602 -3.769 1.00 23.45 O ATOM 242 CB LEU A 16 -3.854 8.385 -6.498 1.00 23.52 C ATOM 243 CG LEU A 16 -4.378 7.003 -6.087 1.00 31.23 C ATOM 244 CD1 LEU A 16 -5.812 7.089 -5.610 1.00 23.11 C ATOM 245 CD2 LEU A 16 -4.265 6.019 -7.242 1.00 24.12 C ATOM 0 H LEU A 16 -1.816 10.044 -5.869 1.00 20.11 H new ATOM 0 HA LEU A 16 -4.728 9.912 -5.279 1.00 25.22 H new ATOM 0 HB2 LEU A 16 -4.504 8.777 -7.280 1.00 23.52 H new ATOM 0 HB3 LEU A 16 -2.865 8.258 -6.939 1.00 23.52 H new ATOM 0 HG LEU A 16 -3.763 6.643 -5.263 1.00 31.23 H new ATOM 0 HD11 LEU A 16 -6.161 6.097 -5.324 1.00 23.11 H new ATOM 0 HD12 LEU A 16 -5.870 7.756 -4.749 1.00 23.11 H new ATOM 0 HD13 LEU A 16 -6.440 7.477 -6.412 1.00 23.11 H new ATOM 0 HD21 LEU A 16 -4.642 5.045 -6.929 1.00 24.12 H new ATOM 0 HD22 LEU A 16 -4.851 6.381 -8.087 1.00 24.12 H new ATOM 0 HD23 LEU A 16 -3.220 5.925 -7.539 1.00 24.12 H new ATOM 257 N VAL A 17 -4.365 8.514 -3.241 1.00 12.33 N ATOM 258 CA VAL A 17 -4.113 7.904 -1.956 1.00 74.42 C ATOM 259 C VAL A 17 -5.185 6.873 -1.626 1.00 43.52 C ATOM 260 O VAL A 17 -6.350 7.205 -1.412 1.00 55.31 O ATOM 261 CB VAL A 17 -4.004 8.978 -0.850 1.00 4.22 C ATOM 262 CG1 VAL A 17 -4.985 10.111 -1.098 1.00 53.00 C ATOM 263 CG2 VAL A 17 -4.199 8.369 0.531 1.00 14.42 C ATOM 0 H VAL A 17 -5.349 8.692 -3.443 1.00 12.33 H new ATOM 0 HA VAL A 17 -3.157 7.383 -2.007 1.00 74.42 H new ATOM 0 HB VAL A 17 -2.997 9.394 -0.884 1.00 4.22 H new ATOM 0 HG11 VAL A 17 -4.890 10.855 -0.307 1.00 53.00 H new ATOM 0 HG12 VAL A 17 -4.769 10.575 -2.060 1.00 53.00 H new ATOM 0 HG13 VAL A 17 -6.001 9.717 -1.105 1.00 53.00 H new ATOM 0 HG21 VAL A 17 -4.117 9.149 1.288 1.00 14.42 H new ATOM 0 HG22 VAL A 17 -5.185 7.909 0.590 1.00 14.42 H new ATOM 0 HG23 VAL A 17 -3.435 7.612 0.706 1.00 14.42 H new ATOM 273 N VAL A 18 -4.790 5.611 -1.644 1.00 73.21 N ATOM 274 CA VAL A 18 -5.675 4.528 -1.255 1.00 74.20 C ATOM 275 C VAL A 18 -5.020 3.709 -0.158 1.00 50.42 C ATOM 276 O VAL A 18 -3.799 3.674 -0.046 1.00 23.43 O ATOM 277 CB VAL A 18 -6.058 3.612 -2.441 1.00 74.21 C ATOM 278 CG1 VAL A 18 -6.973 4.340 -3.414 1.00 54.14 C ATOM 279 CG2 VAL A 18 -4.818 3.101 -3.160 1.00 33.24 C ATOM 0 H VAL A 18 -3.857 5.311 -1.926 1.00 73.21 H new ATOM 0 HA VAL A 18 -6.599 4.977 -0.892 1.00 74.20 H new ATOM 0 HB VAL A 18 -6.596 2.754 -2.038 1.00 74.21 H new ATOM 0 HG11 VAL A 18 -7.229 3.676 -4.239 1.00 54.14 H new ATOM 0 HG12 VAL A 18 -7.884 4.645 -2.898 1.00 54.14 H new ATOM 0 HG13 VAL A 18 -6.463 5.222 -3.802 1.00 54.14 H new ATOM 0 HG21 VAL A 18 -5.117 2.460 -3.989 1.00 33.24 H new ATOM 0 HG22 VAL A 18 -4.245 3.946 -3.543 1.00 33.24 H new ATOM 0 HG23 VAL A 18 -4.203 2.531 -2.464 1.00 33.24 H new ATOM 289 N TYR A 19 -5.829 3.067 0.653 1.00 3.13 N ATOM 290 CA TYR A 19 -5.327 2.349 1.808 1.00 31.23 C ATOM 291 C TYR A 19 -5.551 0.852 1.666 1.00 11.30 C ATOM 292 O TYR A 19 -6.215 0.396 0.731 1.00 64.12 O ATOM 293 CB TYR A 19 -5.987 2.883 3.080 1.00 23.13 C ATOM 294 CG TYR A 19 -7.418 3.335 2.889 1.00 45.32 C ATOM 295 CD1 TYR A 19 -8.471 2.428 2.917 1.00 53.14 C ATOM 296 CD2 TYR A 19 -7.714 4.675 2.685 1.00 54.30 C ATOM 297 CE1 TYR A 19 -9.777 2.851 2.747 1.00 51.24 C ATOM 298 CE2 TYR A 19 -9.014 5.105 2.512 1.00 3.32 C ATOM 299 CZ TYR A 19 -10.043 4.189 2.545 1.00 73.13 C ATOM 300 OH TYR A 19 -11.342 4.616 2.379 1.00 21.42 O ATOM 0 H TYR A 19 -6.841 3.026 0.536 1.00 3.13 H new ATOM 0 HA TYR A 19 -4.251 2.512 1.876 1.00 31.23 H new ATOM 0 HB2 TYR A 19 -5.961 2.106 3.844 1.00 23.13 H new ATOM 0 HB3 TYR A 19 -5.400 3.720 3.457 1.00 23.13 H new ATOM 0 HD1 TYR A 19 -8.267 1.379 3.074 1.00 53.14 H new ATOM 0 HD2 TYR A 19 -6.911 5.396 2.661 1.00 54.30 H new ATOM 0 HE1 TYR A 19 -10.586 2.136 2.772 1.00 51.24 H new ATOM 0 HE2 TYR A 19 -9.223 6.152 2.352 1.00 3.32 H new ATOM 0 HH TYR A 19 -11.755 4.755 3.257 1.00 21.42 H new ATOM 310 N ARG A 20 -4.971 0.088 2.578 1.00 5.31 N ATOM 311 CA ARG A 20 -5.135 -1.363 2.560 1.00 23.13 C ATOM 312 C ARG A 20 -6.550 -1.749 2.993 1.00 61.21 C ATOM 313 O ARG A 20 -7.185 -1.048 3.782 1.00 4.55 O ATOM 314 CB ARG A 20 -4.085 -2.039 3.447 1.00 4.35 C ATOM 315 CG ARG A 20 -2.674 -1.926 2.892 1.00 53.21 C ATOM 316 CD ARG A 20 -1.629 -2.373 3.901 1.00 31.14 C ATOM 317 NE ARG A 20 -1.671 -3.808 4.189 1.00 20.50 N ATOM 318 CZ ARG A 20 -1.285 -4.338 5.350 1.00 2.35 C ATOM 319 NH1 ARG A 20 -0.974 -3.556 6.375 1.00 53.45 N ATOM 320 NH2 ARG A 20 -1.239 -5.653 5.488 1.00 42.11 N ATOM 0 H ARG A 20 -4.386 0.441 3.336 1.00 5.31 H new ATOM 0 HA ARG A 20 -4.986 -1.713 1.539 1.00 23.13 H new ATOM 0 HB2 ARG A 20 -4.115 -1.592 4.441 1.00 4.35 H new ATOM 0 HB3 ARG A 20 -4.340 -3.092 3.563 1.00 4.35 H new ATOM 0 HG2 ARG A 20 -2.590 -2.532 1.990 1.00 53.21 H new ATOM 0 HG3 ARG A 20 -2.480 -0.893 2.602 1.00 53.21 H new ATOM 0 HD2 ARG A 20 -0.639 -2.115 3.525 1.00 31.14 H new ATOM 0 HD3 ARG A 20 -1.772 -1.820 4.829 1.00 31.14 H new ATOM 0 HE ARG A 20 -2.014 -4.436 3.462 1.00 20.50 H new ATOM 0 HH11 ARG A 20 -1.029 -2.542 6.278 1.00 53.45 H new ATOM 0 HH12 ARG A 20 -0.680 -3.968 7.260 1.00 53.45 H new ATOM 0 HH21 ARG A 20 -1.498 -6.257 4.708 1.00 42.11 H new ATOM 0 HH22 ARG A 20 -0.944 -6.063 6.374 1.00 42.11 H new ATOM 334 N TYR A 21 -7.049 -2.854 2.450 1.00 2.32 N ATOM 335 CA TYR A 21 -8.409 -3.295 2.726 1.00 31.12 C ATOM 336 C TYR A 21 -8.503 -3.915 4.113 1.00 63.33 C ATOM 337 O TYR A 21 -7.970 -4.994 4.365 1.00 25.31 O ATOM 338 CB TYR A 21 -8.880 -4.280 1.656 1.00 71.20 C ATOM 339 CG TYR A 21 -8.929 -3.677 0.268 1.00 50.21 C ATOM 340 CD1 TYR A 21 -10.012 -2.907 -0.136 1.00 20.32 C ATOM 341 CD2 TYR A 21 -7.890 -3.870 -0.634 1.00 61.10 C ATOM 342 CE1 TYR A 21 -10.061 -2.352 -1.399 1.00 60.51 C ATOM 343 CE2 TYR A 21 -7.932 -3.317 -1.898 1.00 15.03 C ATOM 344 CZ TYR A 21 -9.019 -2.558 -2.275 1.00 31.13 C ATOM 345 OH TYR A 21 -9.064 -2.003 -3.534 1.00 72.02 O ATOM 0 H TYR A 21 -6.530 -3.461 1.815 1.00 2.32 H new ATOM 0 HA TYR A 21 -9.065 -2.425 2.701 1.00 31.12 H new ATOM 0 HB2 TYR A 21 -8.213 -5.142 1.647 1.00 71.20 H new ATOM 0 HB3 TYR A 21 -9.872 -4.647 1.921 1.00 71.20 H new ATOM 0 HD1 TYR A 21 -10.830 -2.740 0.550 1.00 20.32 H new ATOM 0 HD2 TYR A 21 -7.036 -4.462 -0.341 1.00 61.10 H new ATOM 0 HE1 TYR A 21 -10.913 -1.759 -1.699 1.00 60.51 H new ATOM 0 HE2 TYR A 21 -7.117 -3.478 -2.588 1.00 15.03 H new ATOM 0 HH TYR A 21 -9.579 -1.170 -3.506 1.00 72.02 H new ATOM 355 N ASP A 22 -9.195 -3.218 5.004 1.00 33.30 N ATOM 356 CA ASP A 22 -9.271 -3.607 6.406 1.00 23.01 C ATOM 357 C ASP A 22 -10.354 -4.665 6.638 1.00 51.20 C ATOM 358 O ASP A 22 -11.393 -4.391 7.244 1.00 11.53 O ATOM 359 CB ASP A 22 -9.535 -2.366 7.261 1.00 13.21 C ATOM 360 CG ASP A 22 -9.277 -2.591 8.733 1.00 53.21 C ATOM 361 OD1 ASP A 22 -8.591 -3.572 9.085 1.00 44.30 O ATOM 362 OD2 ASP A 22 -9.751 -1.770 9.552 1.00 75.32 O ATOM 0 H ASP A 22 -9.717 -2.371 4.777 1.00 33.30 H new ATOM 0 HA ASP A 22 -8.319 -4.053 6.696 1.00 23.01 H new ATOM 0 HB2 ASP A 22 -8.905 -1.549 6.909 1.00 13.21 H new ATOM 0 HB3 ASP A 22 -10.570 -2.052 7.124 1.00 13.21 H new ATOM 367 N ALA A 23 -10.096 -5.868 6.137 1.00 33.03 N ATOM 368 CA ALA A 23 -10.995 -7.012 6.293 1.00 53.53 C ATOM 369 C ALA A 23 -10.308 -8.276 5.794 1.00 32.14 C ATOM 370 O ALA A 23 -9.803 -8.302 4.677 1.00 34.14 O ATOM 371 CB ALA A 23 -12.297 -6.804 5.548 1.00 71.33 C ATOM 0 H ALA A 23 -9.251 -6.081 5.607 1.00 33.03 H new ATOM 0 HA ALA A 23 -11.230 -7.114 7.352 1.00 53.53 H new ATOM 0 HB1 ALA A 23 -12.939 -7.674 5.687 1.00 71.33 H new ATOM 0 HB2 ALA A 23 -12.799 -5.917 5.934 1.00 71.33 H new ATOM 0 HB3 ALA A 23 -12.091 -6.671 4.486 1.00 71.33 H new ATOM 377 N PRO A 24 -10.269 -9.325 6.632 1.00 75.15 N ATOM 378 CA PRO A 24 -9.508 -10.558 6.355 1.00 40.42 C ATOM 379 C PRO A 24 -9.782 -11.167 4.985 1.00 51.31 C ATOM 380 O PRO A 24 -10.862 -11.708 4.735 1.00 52.44 O ATOM 381 CB PRO A 24 -9.953 -11.512 7.464 1.00 61.35 C ATOM 382 CG PRO A 24 -10.317 -10.614 8.591 1.00 63.32 C ATOM 383 CD PRO A 24 -10.956 -9.392 7.936 1.00 52.34 C ATOM 0 HA PRO A 24 -8.437 -10.354 6.340 1.00 40.42 H new ATOM 0 HB2 PRO A 24 -10.801 -12.121 7.150 1.00 61.35 H new ATOM 0 HB3 PRO A 24 -9.154 -12.199 7.744 1.00 61.35 H new ATOM 0 HG2 PRO A 24 -11.011 -11.102 9.276 1.00 63.32 H new ATOM 0 HG3 PRO A 24 -9.438 -10.335 9.173 1.00 63.32 H new ATOM 0 HD2 PRO A 24 -12.033 -9.512 7.820 1.00 52.34 H new ATOM 0 HD3 PRO A 24 -10.797 -8.488 8.524 1.00 52.34 H new ATOM 391 N LEU A 25 -8.805 -11.049 4.096 1.00 60.33 N ATOM 392 CA LEU A 25 -8.850 -11.739 2.818 1.00 45.42 C ATOM 393 C LEU A 25 -7.575 -12.546 2.610 1.00 3.12 C ATOM 394 O LEU A 25 -7.436 -13.265 1.617 1.00 30.33 O ATOM 395 CB LEU A 25 -9.133 -10.769 1.634 1.00 72.53 C ATOM 396 CG LEU A 25 -8.041 -9.755 1.198 1.00 13.41 C ATOM 397 CD1 LEU A 25 -7.445 -8.993 2.371 1.00 64.31 C ATOM 398 CD2 LEU A 25 -6.948 -10.426 0.375 1.00 35.33 C ATOM 0 H LEU A 25 -7.971 -10.480 4.239 1.00 60.33 H new ATOM 0 HA LEU A 25 -9.689 -12.434 2.840 1.00 45.42 H new ATOM 0 HB2 LEU A 25 -9.379 -11.378 0.764 1.00 72.53 H new ATOM 0 HB3 LEU A 25 -10.027 -10.198 1.886 1.00 72.53 H new ATOM 0 HG LEU A 25 -8.543 -9.023 0.565 1.00 13.41 H new ATOM 0 HD11 LEU A 25 -6.688 -8.299 2.007 1.00 64.31 H new ATOM 0 HD12 LEU A 25 -8.232 -8.437 2.881 1.00 64.31 H new ATOM 0 HD13 LEU A 25 -6.988 -9.696 3.067 1.00 64.31 H new ATOM 0 HD21 LEU A 25 -6.202 -9.685 0.088 1.00 35.33 H new ATOM 0 HD22 LEU A 25 -6.474 -11.208 0.968 1.00 35.33 H new ATOM 0 HD23 LEU A 25 -7.386 -10.866 -0.521 1.00 35.33 H new ATOM 410 N CYS A 26 -6.653 -12.425 3.568 1.00 42.31 N ATOM 411 CA CYS A 26 -5.420 -13.205 3.564 1.00 33.21 C ATOM 412 C CYS A 26 -4.583 -12.864 2.332 1.00 71.31 C ATOM 413 O CYS A 26 -4.215 -11.706 2.141 1.00 52.52 O ATOM 414 CB CYS A 26 -5.748 -14.704 3.623 1.00 2.04 C ATOM 415 SG CYS A 26 -4.322 -15.777 3.919 1.00 32.24 S ATOM 0 H CYS A 26 -6.741 -11.789 4.360 1.00 42.31 H new ATOM 0 HA CYS A 26 -4.831 -12.953 4.446 1.00 33.21 H new ATOM 0 HB2 CYS A 26 -6.481 -14.871 4.412 1.00 2.04 H new ATOM 0 HB3 CYS A 26 -6.218 -14.997 2.684 1.00 2.04 H new ATOM 0 HG CYS A 26 -3.609 -15.860 2.835 1.00 32.24 H new ATOM 421 N PHE A 27 -4.267 -13.865 1.513 1.00 22.22 N ATOM 422 CA PHE A 27 -3.570 -13.630 0.256 1.00 71.31 C ATOM 423 C PHE A 27 -4.023 -14.624 -0.806 1.00 32.54 C ATOM 424 O PHE A 27 -3.443 -14.690 -1.889 1.00 23.15 O ATOM 425 CB PHE A 27 -2.048 -13.715 0.437 1.00 75.23 C ATOM 426 CG PHE A 27 -1.525 -15.104 0.719 1.00 44.32 C ATOM 427 CD1 PHE A 27 -1.677 -15.683 1.970 1.00 73.40 C ATOM 428 CD2 PHE A 27 -0.872 -15.826 -0.271 1.00 2.33 C ATOM 429 CE1 PHE A 27 -1.189 -16.952 2.227 1.00 24.31 C ATOM 430 CE2 PHE A 27 -0.385 -17.093 -0.018 1.00 72.10 C ATOM 431 CZ PHE A 27 -0.544 -17.657 1.232 1.00 2.41 C ATOM 0 H PHE A 27 -4.483 -14.844 1.699 1.00 22.22 H new ATOM 0 HA PHE A 27 -3.820 -12.622 -0.073 1.00 71.31 H new ATOM 0 HB2 PHE A 27 -1.566 -13.336 -0.464 1.00 75.23 H new ATOM 0 HB3 PHE A 27 -1.755 -13.058 1.256 1.00 75.23 H new ATOM 0 HD1 PHE A 27 -2.182 -15.137 2.753 1.00 73.40 H new ATOM 0 HD2 PHE A 27 -0.743 -15.391 -1.251 1.00 2.33 H new ATOM 0 HE1 PHE A 27 -1.313 -17.390 3.206 1.00 24.31 H new ATOM 0 HE2 PHE A 27 0.120 -17.643 -0.798 1.00 72.10 H new ATOM 0 HZ PHE A 27 -0.164 -18.648 1.431 1.00 2.41 H new ATOM 441 N ALA A 28 -5.095 -15.352 -0.500 1.00 52.35 N ATOM 442 CA ALA A 28 -5.583 -16.438 -1.353 1.00 61.13 C ATOM 443 C ALA A 28 -5.744 -16.002 -2.805 1.00 14.31 C ATOM 444 O ALA A 28 -5.359 -16.718 -3.728 1.00 62.41 O ATOM 445 CB ALA A 28 -6.907 -16.954 -0.818 1.00 23.20 C ATOM 0 H ALA A 28 -5.650 -15.208 0.344 1.00 52.35 H new ATOM 0 HA ALA A 28 -4.838 -17.233 -1.333 1.00 61.13 H new ATOM 0 HB1 ALA A 28 -7.267 -17.762 -1.455 1.00 23.20 H new ATOM 0 HB2 ALA A 28 -6.769 -17.327 0.197 1.00 23.20 H new ATOM 0 HB3 ALA A 28 -7.637 -16.145 -0.811 1.00 23.20 H new ATOM 451 N ASN A 29 -6.324 -14.830 -2.994 1.00 25.12 N ATOM 452 CA ASN A 29 -6.507 -14.264 -4.322 1.00 22.12 C ATOM 453 C ASN A 29 -5.802 -12.921 -4.422 1.00 25.42 C ATOM 454 O ASN A 29 -5.844 -12.266 -5.459 1.00 54.22 O ATOM 455 CB ASN A 29 -8.000 -14.074 -4.623 1.00 44.31 C ATOM 456 CG ASN A 29 -8.684 -13.118 -3.650 1.00 4.21 C ATOM 457 OD1 ASN A 29 -8.317 -13.030 -2.478 1.00 3.22 O ATOM 458 ND2 ASN A 29 -9.682 -12.395 -4.131 1.00 23.14 N ATOM 0 H ASN A 29 -6.680 -14.246 -2.238 1.00 25.12 H new ATOM 0 HA ASN A 29 -6.079 -14.955 -5.049 1.00 22.12 H new ATOM 0 HB2 ASN A 29 -8.116 -13.695 -5.639 1.00 44.31 H new ATOM 0 HB3 ASN A 29 -8.499 -15.042 -4.585 1.00 44.31 H new ATOM 0 HD21 ASN A 29 -10.174 -11.738 -3.525 1.00 23.14 H new ATOM 0 HD22 ASN A 29 -9.959 -12.494 -5.108 1.00 23.14 H new ATOM 465 N ALA A 30 -5.113 -12.546 -3.347 1.00 55.33 N ATOM 466 CA ALA A 30 -4.606 -11.185 -3.176 1.00 1.52 C ATOM 467 C ALA A 30 -3.656 -10.755 -4.285 1.00 41.14 C ATOM 468 O ALA A 30 -3.500 -9.566 -4.522 1.00 75.02 O ATOM 469 CB ALA A 30 -3.931 -11.031 -1.827 1.00 62.22 C ATOM 0 H ALA A 30 -4.891 -13.172 -2.573 1.00 55.33 H new ATOM 0 HA ALA A 30 -5.474 -10.528 -3.229 1.00 1.52 H new ATOM 0 HB1 ALA A 30 -3.561 -10.011 -1.720 1.00 62.22 H new ATOM 0 HB2 ALA A 30 -4.649 -11.242 -1.035 1.00 62.22 H new ATOM 0 HB3 ALA A 30 -3.097 -11.729 -1.756 1.00 62.22 H new ATOM 475 N GLU A 31 -3.022 -11.703 -4.957 1.00 73.12 N ATOM 476 CA GLU A 31 -2.126 -11.365 -6.056 1.00 23.45 C ATOM 477 C GLU A 31 -2.915 -10.770 -7.226 1.00 33.12 C ATOM 478 O GLU A 31 -2.855 -9.564 -7.488 1.00 54.12 O ATOM 479 CB GLU A 31 -1.354 -12.598 -6.530 1.00 70.34 C ATOM 480 CG GLU A 31 -0.315 -12.279 -7.598 1.00 2.23 C ATOM 481 CD GLU A 31 0.195 -13.511 -8.311 1.00 74.51 C ATOM 482 OE1 GLU A 31 1.191 -14.103 -7.852 1.00 14.22 O ATOM 483 OE2 GLU A 31 -0.394 -13.888 -9.343 1.00 41.15 O ATOM 0 H GLU A 31 -3.108 -12.701 -4.766 1.00 73.12 H new ATOM 0 HA GLU A 31 -1.413 -10.625 -5.692 1.00 23.45 H new ATOM 0 HB2 GLU A 31 -0.858 -13.059 -5.676 1.00 70.34 H new ATOM 0 HB3 GLU A 31 -2.058 -13.331 -6.924 1.00 70.34 H new ATOM 0 HG2 GLU A 31 -0.750 -11.597 -8.328 1.00 2.23 H new ATOM 0 HG3 GLU A 31 0.525 -11.759 -7.137 1.00 2.23 H new ATOM 490 N ASP A 32 -3.679 -11.625 -7.899 1.00 20.22 N ATOM 491 CA ASP A 32 -4.437 -11.223 -9.080 1.00 2.05 C ATOM 492 C ASP A 32 -5.520 -10.219 -8.707 1.00 3.31 C ATOM 493 O ASP A 32 -5.801 -9.291 -9.458 1.00 22.00 O ATOM 494 CB ASP A 32 -5.059 -12.449 -9.753 1.00 45.21 C ATOM 495 CG ASP A 32 -5.629 -12.137 -11.124 1.00 44.53 C ATOM 496 OD1 ASP A 32 -4.849 -12.098 -12.102 1.00 33.44 O ATOM 497 OD2 ASP A 32 -6.860 -11.950 -11.238 1.00 34.33 O ATOM 0 H ASP A 32 -3.790 -12.607 -7.645 1.00 20.22 H new ATOM 0 HA ASP A 32 -3.753 -10.746 -9.782 1.00 2.05 H new ATOM 0 HB2 ASP A 32 -4.304 -13.229 -9.847 1.00 45.21 H new ATOM 0 HB3 ASP A 32 -5.850 -12.846 -9.117 1.00 45.21 H new ATOM 502 N PHE A 33 -6.104 -10.400 -7.529 1.00 63.23 N ATOM 503 CA PHE A 33 -7.144 -9.506 -7.035 1.00 41.33 C ATOM 504 C PHE A 33 -6.612 -8.085 -6.849 1.00 4.41 C ATOM 505 O PHE A 33 -7.247 -7.119 -7.276 1.00 52.15 O ATOM 506 CB PHE A 33 -7.723 -10.047 -5.720 1.00 21.41 C ATOM 507 CG PHE A 33 -8.304 -8.996 -4.813 1.00 33.05 C ATOM 508 CD1 PHE A 33 -9.456 -8.314 -5.168 1.00 12.45 C ATOM 509 CD2 PHE A 33 -7.683 -8.679 -3.611 1.00 52.54 C ATOM 510 CE1 PHE A 33 -9.982 -7.338 -4.343 1.00 52.15 C ATOM 511 CE2 PHE A 33 -8.205 -7.701 -2.784 1.00 34.33 C ATOM 512 CZ PHE A 33 -9.356 -7.030 -3.153 1.00 41.41 C ATOM 0 H PHE A 33 -5.873 -11.164 -6.894 1.00 63.23 H new ATOM 0 HA PHE A 33 -7.940 -9.464 -7.779 1.00 41.33 H new ATOM 0 HB2 PHE A 33 -8.499 -10.777 -5.953 1.00 21.41 H new ATOM 0 HB3 PHE A 33 -6.937 -10.578 -5.183 1.00 21.41 H new ATOM 0 HD1 PHE A 33 -9.949 -8.548 -6.100 1.00 12.45 H new ATOM 0 HD2 PHE A 33 -6.784 -9.201 -3.320 1.00 52.54 H new ATOM 0 HE1 PHE A 33 -10.883 -6.816 -4.630 1.00 52.15 H new ATOM 0 HE2 PHE A 33 -7.714 -7.462 -1.852 1.00 34.33 H new ATOM 0 HZ PHE A 33 -9.765 -6.265 -2.510 1.00 41.41 H new ATOM 522 N ARG A 34 -5.443 -7.962 -6.229 1.00 72.43 N ATOM 523 CA ARG A 34 -4.884 -6.652 -5.934 1.00 74.03 C ATOM 524 C ARG A 34 -4.564 -5.917 -7.221 1.00 75.14 C ATOM 525 O ARG A 34 -4.855 -4.729 -7.360 1.00 44.44 O ATOM 526 CB ARG A 34 -3.613 -6.774 -5.100 1.00 62.35 C ATOM 527 CG ARG A 34 -3.292 -5.534 -4.289 1.00 64.20 C ATOM 528 CD ARG A 34 -4.152 -5.466 -3.031 1.00 71.20 C ATOM 529 NE ARG A 34 -3.990 -6.663 -2.197 1.00 14.11 N ATOM 530 CZ ARG A 34 -4.192 -6.699 -0.875 1.00 32.24 C ATOM 531 NH1 ARG A 34 -4.601 -5.617 -0.224 1.00 75.34 N ATOM 532 NH2 ARG A 34 -3.988 -7.824 -0.196 1.00 74.12 N ATOM 0 H ARG A 34 -4.870 -8.748 -5.924 1.00 72.43 H new ATOM 0 HA ARG A 34 -5.628 -6.093 -5.365 1.00 74.03 H new ATOM 0 HB2 ARG A 34 -3.713 -7.623 -4.424 1.00 62.35 H new ATOM 0 HB3 ARG A 34 -2.775 -6.991 -5.762 1.00 62.35 H new ATOM 0 HG2 ARG A 34 -2.237 -5.538 -4.013 1.00 64.20 H new ATOM 0 HG3 ARG A 34 -3.459 -4.644 -4.896 1.00 64.20 H new ATOM 0 HD2 ARG A 34 -3.883 -4.581 -2.454 1.00 71.20 H new ATOM 0 HD3 ARG A 34 -5.200 -5.357 -3.312 1.00 71.20 H new ATOM 0 HE ARG A 34 -3.704 -7.527 -2.657 1.00 14.11 H new ATOM 0 HH11 ARG A 34 -4.764 -4.748 -0.732 1.00 75.34 H new ATOM 0 HH12 ARG A 34 -4.752 -5.655 0.784 1.00 75.34 H new ATOM 0 HH21 ARG A 34 -3.676 -8.664 -0.683 1.00 74.12 H new ATOM 0 HH22 ARG A 34 -4.143 -7.847 0.812 1.00 74.12 H new ATOM 546 N ARG A 35 -3.972 -6.628 -8.167 1.00 45.22 N ATOM 547 CA ARG A 35 -3.596 -6.010 -9.422 1.00 2.00 C ATOM 548 C ARG A 35 -4.825 -5.765 -10.292 1.00 74.52 C ATOM 549 O ARG A 35 -4.881 -4.805 -11.037 1.00 40.03 O ATOM 550 CB ARG A 35 -2.522 -6.836 -10.153 1.00 72.01 C ATOM 551 CG ARG A 35 -2.958 -8.216 -10.634 1.00 24.13 C ATOM 552 CD ARG A 35 -3.613 -8.153 -12.003 1.00 11.13 C ATOM 553 NE ARG A 35 -3.709 -9.471 -12.628 1.00 0.43 N ATOM 554 CZ ARG A 35 -3.409 -9.705 -13.902 1.00 31.31 C ATOM 555 NH1 ARG A 35 -3.112 -8.697 -14.714 1.00 75.43 N ATOM 556 NH2 ARG A 35 -3.449 -10.942 -14.371 1.00 31.23 N ATOM 0 H ARG A 35 -3.745 -7.619 -8.090 1.00 45.22 H new ATOM 0 HA ARG A 35 -3.151 -5.039 -9.206 1.00 2.00 H new ATOM 0 HB2 ARG A 35 -2.175 -6.265 -11.014 1.00 72.01 H new ATOM 0 HB3 ARG A 35 -1.668 -6.958 -9.486 1.00 72.01 H new ATOM 0 HG2 ARG A 35 -2.093 -8.877 -10.675 1.00 24.13 H new ATOM 0 HG3 ARG A 35 -3.656 -8.648 -9.916 1.00 24.13 H new ATOM 0 HD2 ARG A 35 -4.610 -7.724 -11.908 1.00 11.13 H new ATOM 0 HD3 ARG A 35 -3.040 -7.487 -12.648 1.00 11.13 H new ATOM 0 HE ARG A 35 -4.023 -10.254 -12.055 1.00 0.43 H new ATOM 0 HH11 ARG A 35 -3.114 -7.740 -14.361 1.00 75.43 H new ATOM 0 HH12 ARG A 35 -2.882 -8.880 -15.691 1.00 75.43 H new ATOM 0 HH21 ARG A 35 -3.709 -11.713 -13.756 1.00 31.23 H new ATOM 0 HH22 ARG A 35 -3.219 -11.125 -15.348 1.00 31.23 H new ATOM 570 N ARG A 36 -5.829 -6.610 -10.187 1.00 61.25 N ATOM 571 CA ARG A 36 -7.047 -6.390 -10.946 1.00 70.13 C ATOM 572 C ARG A 36 -7.641 -5.037 -10.571 1.00 64.13 C ATOM 573 O ARG A 36 -7.771 -4.142 -11.404 1.00 12.10 O ATOM 574 CB ARG A 36 -8.063 -7.499 -10.676 1.00 22.24 C ATOM 575 CG ARG A 36 -9.228 -7.519 -11.654 1.00 62.51 C ATOM 576 CD ARG A 36 -8.768 -7.931 -13.043 1.00 40.25 C ATOM 577 NE ARG A 36 -8.107 -9.235 -13.019 1.00 14.33 N ATOM 578 CZ ARG A 36 -7.448 -9.769 -14.045 1.00 43.22 C ATOM 579 NH1 ARG A 36 -7.386 -9.136 -15.212 1.00 64.42 N ATOM 580 NH2 ARG A 36 -6.852 -10.945 -13.900 1.00 64.22 N ATOM 0 H ARG A 36 -5.830 -7.441 -9.596 1.00 61.25 H new ATOM 0 HA ARG A 36 -6.805 -6.402 -12.009 1.00 70.13 H new ATOM 0 HB2 ARG A 36 -7.554 -8.462 -10.713 1.00 22.24 H new ATOM 0 HB3 ARG A 36 -8.452 -7.383 -9.665 1.00 22.24 H new ATOM 0 HG2 ARG A 36 -9.992 -8.211 -11.300 1.00 62.51 H new ATOM 0 HG3 ARG A 36 -9.688 -6.532 -11.697 1.00 62.51 H new ATOM 0 HD2 ARG A 36 -9.625 -7.968 -13.716 1.00 40.25 H new ATOM 0 HD3 ARG A 36 -8.083 -7.181 -13.439 1.00 40.25 H new ATOM 0 HE ARG A 36 -8.154 -9.774 -12.154 1.00 14.33 H new ATOM 0 HH11 ARG A 36 -7.846 -8.233 -15.327 1.00 64.42 H new ATOM 0 HH12 ARG A 36 -6.879 -9.553 -15.992 1.00 64.42 H new ATOM 0 HH21 ARG A 36 -6.900 -11.435 -13.006 1.00 64.22 H new ATOM 0 HH22 ARG A 36 -6.345 -11.360 -14.682 1.00 64.22 H new ATOM 594 N ALA A 37 -7.910 -4.871 -9.291 1.00 51.31 N ATOM 595 CA ALA A 37 -8.622 -3.704 -8.807 1.00 54.40 C ATOM 596 C ALA A 37 -7.738 -2.467 -8.842 1.00 33.23 C ATOM 597 O ALA A 37 -8.018 -1.510 -9.565 1.00 22.51 O ATOM 598 CB ALA A 37 -9.134 -3.952 -7.400 1.00 63.33 C ATOM 0 H ALA A 37 -7.644 -5.534 -8.563 1.00 51.31 H new ATOM 0 HA ALA A 37 -9.471 -3.525 -9.466 1.00 54.40 H new ATOM 0 HB1 ALA A 37 -9.667 -3.070 -7.046 1.00 63.33 H new ATOM 0 HB2 ALA A 37 -9.810 -4.807 -7.404 1.00 63.33 H new ATOM 0 HB3 ALA A 37 -8.293 -4.158 -6.738 1.00 63.33 H new ATOM 604 N LEU A 38 -6.651 -2.507 -8.085 1.00 61.34 N ATOM 605 CA LEU A 38 -5.796 -1.340 -7.916 1.00 13.12 C ATOM 606 C LEU A 38 -5.055 -1.002 -9.202 1.00 30.14 C ATOM 607 O LEU A 38 -4.899 0.167 -9.543 1.00 62.21 O ATOM 608 CB LEU A 38 -4.785 -1.549 -6.779 1.00 14.43 C ATOM 609 CG LEU A 38 -5.365 -1.535 -5.357 1.00 50.50 C ATOM 610 CD1 LEU A 38 -6.188 -2.783 -5.082 1.00 15.01 C ATOM 611 CD2 LEU A 38 -4.249 -1.395 -4.332 1.00 72.30 C ATOM 0 H LEU A 38 -6.340 -3.335 -7.578 1.00 61.34 H new ATOM 0 HA LEU A 38 -6.448 -0.505 -7.659 1.00 13.12 H new ATOM 0 HB2 LEU A 38 -4.282 -2.503 -6.936 1.00 14.43 H new ATOM 0 HB3 LEU A 38 -4.024 -0.772 -6.848 1.00 14.43 H new ATOM 0 HG LEU A 38 -6.029 -0.675 -5.274 1.00 50.50 H new ATOM 0 HD11 LEU A 38 -6.584 -2.741 -4.067 1.00 15.01 H new ATOM 0 HD12 LEU A 38 -7.014 -2.838 -5.792 1.00 15.01 H new ATOM 0 HD13 LEU A 38 -5.558 -3.666 -5.190 1.00 15.01 H new ATOM 0 HD21 LEU A 38 -4.675 -1.387 -3.329 1.00 72.30 H new ATOM 0 HD22 LEU A 38 -3.561 -2.235 -4.427 1.00 72.30 H new ATOM 0 HD23 LEU A 38 -3.711 -0.463 -4.505 1.00 72.30 H new ATOM 623 N THR A 39 -4.614 -2.016 -9.927 1.00 42.22 N ATOM 624 CA THR A 39 -3.798 -1.782 -11.098 1.00 43.25 C ATOM 625 C THR A 39 -4.627 -1.262 -12.273 1.00 45.03 C ATOM 626 O THR A 39 -4.137 -0.471 -13.083 1.00 4.14 O ATOM 627 CB THR A 39 -3.004 -3.046 -11.472 1.00 21.51 C ATOM 628 OG1 THR A 39 -2.018 -3.327 -10.468 1.00 73.11 O ATOM 629 CG2 THR A 39 -2.339 -2.910 -12.815 1.00 52.10 C ATOM 0 H THR A 39 -4.806 -2.997 -9.726 1.00 42.22 H new ATOM 0 HA THR A 39 -3.080 -1.000 -10.853 1.00 43.25 H new ATOM 0 HB THR A 39 -3.712 -3.873 -11.530 1.00 21.51 H new ATOM 0 HG1 THR A 39 -1.520 -4.134 -10.716 1.00 73.11 H new ATOM 0 HG21 THR A 39 -1.789 -3.823 -13.043 1.00 52.10 H new ATOM 0 HG22 THR A 39 -3.096 -2.742 -13.581 1.00 52.10 H new ATOM 0 HG23 THR A 39 -1.650 -2.066 -12.796 1.00 52.10 H new ATOM 637 N VAL A 40 -5.886 -1.676 -12.352 1.00 12.13 N ATOM 638 CA VAL A 40 -6.766 -1.189 -13.402 1.00 62.33 C ATOM 639 C VAL A 40 -7.227 0.251 -13.143 1.00 64.12 C ATOM 640 O VAL A 40 -7.272 1.067 -14.067 1.00 24.40 O ATOM 641 CB VAL A 40 -7.979 -2.123 -13.553 1.00 21.10 C ATOM 642 CG1 VAL A 40 -9.148 -1.426 -14.241 1.00 73.21 C ATOM 643 CG2 VAL A 40 -7.588 -3.378 -14.323 1.00 24.43 C ATOM 0 H VAL A 40 -6.315 -2.341 -11.708 1.00 12.13 H new ATOM 0 HA VAL A 40 -6.198 -1.185 -14.332 1.00 62.33 H new ATOM 0 HB VAL A 40 -8.304 -2.404 -12.551 1.00 21.10 H new ATOM 0 HG11 VAL A 40 -9.985 -2.119 -14.328 1.00 73.21 H new ATOM 0 HG12 VAL A 40 -9.454 -0.561 -13.652 1.00 73.21 H new ATOM 0 HG13 VAL A 40 -8.843 -1.099 -15.235 1.00 73.21 H new ATOM 0 HG21 VAL A 40 -8.456 -4.029 -14.422 1.00 24.43 H new ATOM 0 HG22 VAL A 40 -7.228 -3.100 -15.314 1.00 24.43 H new ATOM 0 HG23 VAL A 40 -6.799 -3.904 -13.785 1.00 24.43 H new ATOM 653 N VAL A 41 -7.560 0.571 -11.895 1.00 43.23 N ATOM 654 CA VAL A 41 -8.034 1.915 -11.569 1.00 31.55 C ATOM 655 C VAL A 41 -6.943 2.953 -11.824 1.00 25.33 C ATOM 656 O VAL A 41 -7.185 3.954 -12.502 1.00 32.53 O ATOM 657 CB VAL A 41 -8.544 2.019 -10.110 1.00 22.10 C ATOM 658 CG1 VAL A 41 -9.771 1.141 -9.920 1.00 15.40 C ATOM 659 CG2 VAL A 41 -7.460 1.645 -9.108 1.00 61.31 C ATOM 0 H VAL A 41 -7.512 -0.070 -11.103 1.00 43.23 H new ATOM 0 HA VAL A 41 -8.879 2.121 -12.226 1.00 31.55 H new ATOM 0 HB VAL A 41 -8.817 3.058 -9.925 1.00 22.10 H new ATOM 0 HG11 VAL A 41 -10.121 1.222 -8.891 1.00 15.40 H new ATOM 0 HG12 VAL A 41 -10.560 1.467 -10.598 1.00 15.40 H new ATOM 0 HG13 VAL A 41 -9.513 0.104 -10.135 1.00 15.40 H new ATOM 0 HG21 VAL A 41 -7.855 1.730 -8.096 1.00 61.31 H new ATOM 0 HG22 VAL A 41 -7.138 0.619 -9.287 1.00 61.31 H new ATOM 0 HG23 VAL A 41 -6.610 2.318 -9.223 1.00 61.31 H new ATOM 669 N ASP A 42 -5.751 2.689 -11.289 1.00 54.34 N ATOM 670 CA ASP A 42 -4.573 3.516 -11.515 1.00 53.40 C ATOM 671 C ASP A 42 -3.448 3.015 -10.635 1.00 32.52 C ATOM 672 O ASP A 42 -3.518 3.093 -9.409 1.00 44.31 O ATOM 673 CB ASP A 42 -4.826 4.995 -11.232 1.00 31.34 C ATOM 674 CG ASP A 42 -4.411 5.860 -12.405 1.00 33.01 C ATOM 675 OD1 ASP A 42 -3.197 6.022 -12.638 1.00 0.41 O ATOM 676 OD2 ASP A 42 -5.307 6.371 -13.115 1.00 14.23 O ATOM 0 H ASP A 42 -5.578 1.888 -10.682 1.00 54.34 H new ATOM 0 HA ASP A 42 -4.309 3.436 -12.569 1.00 53.40 H new ATOM 0 HB2 ASP A 42 -5.884 5.151 -11.019 1.00 31.34 H new ATOM 0 HB3 ASP A 42 -4.274 5.297 -10.342 1.00 31.34 H new ATOM 681 N GLN A 43 -2.421 2.486 -11.267 1.00 63.04 N ATOM 682 CA GLN A 43 -1.360 1.792 -10.561 1.00 24.41 C ATOM 683 C GLN A 43 -0.125 1.755 -11.430 1.00 63.31 C ATOM 684 O GLN A 43 0.930 2.283 -11.078 1.00 53.32 O ATOM 685 CB GLN A 43 -1.822 0.370 -10.282 1.00 44.53 C ATOM 686 CG GLN A 43 -1.735 -0.072 -8.838 1.00 52.22 C ATOM 687 CD GLN A 43 -0.405 -0.716 -8.508 1.00 15.12 C ATOM 688 OE1 GLN A 43 0.554 -0.047 -8.136 1.00 64.21 O ATOM 689 NE2 GLN A 43 -0.345 -2.030 -8.632 1.00 62.14 N ATOM 0 H GLN A 43 -2.297 2.524 -12.279 1.00 63.04 H new ATOM 0 HA GLN A 43 -1.129 2.304 -9.627 1.00 24.41 H new ATOM 0 HB2 GLN A 43 -2.856 0.271 -10.612 1.00 44.53 H new ATOM 0 HB3 GLN A 43 -1.227 -0.312 -10.889 1.00 44.53 H new ATOM 0 HG2 GLN A 43 -1.889 0.789 -8.188 1.00 52.22 H new ATOM 0 HG3 GLN A 43 -2.539 -0.778 -8.628 1.00 52.22 H new ATOM 0 HE21 GLN A 43 -1.165 -2.551 -8.944 1.00 62.14 H new ATOM 0 HE22 GLN A 43 0.521 -2.524 -8.415 1.00 62.14 H new ATOM 698 N ASP A 44 -0.284 1.138 -12.590 1.00 63.10 N ATOM 699 CA ASP A 44 0.800 1.007 -13.542 1.00 50.25 C ATOM 700 C ASP A 44 0.316 1.307 -14.969 1.00 52.23 C ATOM 701 O ASP A 44 0.289 0.429 -15.829 1.00 21.30 O ATOM 702 CB ASP A 44 1.396 -0.402 -13.442 1.00 62.53 C ATOM 703 CG ASP A 44 2.508 -0.656 -14.451 1.00 52.13 C ATOM 704 OD1 ASP A 44 3.388 0.219 -14.619 1.00 72.12 O ATOM 705 OD2 ASP A 44 2.507 -1.730 -15.083 1.00 51.50 O ATOM 0 H ASP A 44 -1.162 0.718 -12.894 1.00 63.10 H new ATOM 0 HA ASP A 44 1.576 1.735 -13.305 1.00 50.25 H new ATOM 0 HB2 ASP A 44 1.786 -0.554 -12.435 1.00 62.53 H new ATOM 0 HB3 ASP A 44 0.604 -1.136 -13.591 1.00 62.53 H new ATOM 710 N PRO A 45 -0.130 2.552 -15.229 1.00 73.03 N ATOM 711 CA PRO A 45 -0.462 2.996 -16.581 1.00 12.33 C ATOM 712 C PRO A 45 0.747 3.610 -17.283 1.00 32.33 C ATOM 713 O PRO A 45 0.638 4.133 -18.392 1.00 71.11 O ATOM 714 CB PRO A 45 -1.532 4.057 -16.330 1.00 65.14 C ATOM 715 CG PRO A 45 -1.121 4.695 -15.045 1.00 42.12 C ATOM 716 CD PRO A 45 -0.403 3.608 -14.234 1.00 75.41 C ATOM 0 HA PRO A 45 -0.789 2.182 -17.228 1.00 12.33 H new ATOM 0 HB2 PRO A 45 -1.570 4.784 -17.141 1.00 65.14 H new ATOM 0 HB3 PRO A 45 -2.524 3.612 -16.254 1.00 65.14 H new ATOM 0 HG2 PRO A 45 -0.462 5.544 -15.226 1.00 42.12 H new ATOM 0 HG3 PRO A 45 -1.988 5.074 -14.504 1.00 42.12 H new ATOM 0 HD2 PRO A 45 0.517 3.984 -13.787 1.00 75.41 H new ATOM 0 HD3 PRO A 45 -1.026 3.239 -13.419 1.00 75.41 H new ATOM 724 N GLY A 46 1.894 3.549 -16.619 1.00 0.02 N ATOM 725 CA GLY A 46 3.106 4.131 -17.155 1.00 73.32 C ATOM 726 C GLY A 46 3.665 5.205 -16.245 1.00 51.34 C ATOM 727 O GLY A 46 4.856 5.208 -15.934 1.00 22.44 O ATOM 0 H GLY A 46 2.005 3.101 -15.709 1.00 0.02 H new ATOM 0 HA2 GLY A 46 3.853 3.350 -17.296 1.00 73.32 H new ATOM 0 HA3 GLY A 46 2.901 4.557 -18.137 1.00 73.32 H new ATOM 731 N GLN A 47 2.798 6.105 -15.806 1.00 2.22 N ATOM 732 CA GLN A 47 3.200 7.211 -14.948 1.00 42.12 C ATOM 733 C GLN A 47 2.018 7.664 -14.095 1.00 2.54 C ATOM 734 O GLN A 47 0.910 7.840 -14.610 1.00 40.03 O ATOM 735 CB GLN A 47 3.717 8.367 -15.809 1.00 40.24 C ATOM 736 CG GLN A 47 4.274 9.531 -15.009 1.00 44.41 C ATOM 737 CD GLN A 47 4.807 10.640 -15.890 1.00 24.51 C ATOM 738 OE1 GLN A 47 4.327 10.848 -17.004 1.00 22.44 O ATOM 739 NE2 GLN A 47 5.811 11.353 -15.410 1.00 40.14 N ATOM 0 H GLN A 47 1.803 6.091 -16.032 1.00 2.22 H new ATOM 0 HA GLN A 47 3.999 6.883 -14.283 1.00 42.12 H new ATOM 0 HB2 GLN A 47 4.494 7.992 -16.474 1.00 40.24 H new ATOM 0 HB3 GLN A 47 2.905 8.728 -16.440 1.00 40.24 H new ATOM 0 HG2 GLN A 47 3.492 9.930 -14.362 1.00 44.41 H new ATOM 0 HG3 GLN A 47 5.073 9.172 -14.360 1.00 44.41 H new ATOM 0 HE21 GLN A 47 6.182 11.151 -14.482 1.00 40.14 H new ATOM 0 HE22 GLN A 47 6.215 12.106 -15.968 1.00 40.14 H new ATOM 748 N VAL A 48 2.249 7.835 -12.797 1.00 14.42 N ATOM 749 CA VAL A 48 1.194 8.232 -11.871 1.00 52.03 C ATOM 750 C VAL A 48 1.786 8.649 -10.522 1.00 74.42 C ATOM 751 O VAL A 48 2.773 8.065 -10.065 1.00 61.44 O ATOM 752 CB VAL A 48 0.163 7.091 -11.674 1.00 62.23 C ATOM 753 CG1 VAL A 48 0.845 5.806 -11.224 1.00 63.41 C ATOM 754 CG2 VAL A 48 -0.925 7.497 -10.687 1.00 63.33 C ATOM 0 H VAL A 48 3.162 7.704 -12.361 1.00 14.42 H new ATOM 0 HA VAL A 48 0.677 9.088 -12.305 1.00 52.03 H new ATOM 0 HB VAL A 48 -0.309 6.904 -12.639 1.00 62.23 H new ATOM 0 HG11 VAL A 48 0.097 5.024 -11.094 1.00 63.41 H new ATOM 0 HG12 VAL A 48 1.568 5.495 -11.978 1.00 63.41 H new ATOM 0 HG13 VAL A 48 1.358 5.978 -10.278 1.00 63.41 H new ATOM 0 HG21 VAL A 48 -1.634 6.677 -10.569 1.00 63.33 H new ATOM 0 HG22 VAL A 48 -0.473 7.728 -9.722 1.00 63.33 H new ATOM 0 HG23 VAL A 48 -1.447 8.377 -11.063 1.00 63.33 H new ATOM 764 N GLU A 49 1.205 9.682 -9.916 1.00 45.12 N ATOM 765 CA GLU A 49 1.618 10.151 -8.597 1.00 12.42 C ATOM 766 C GLU A 49 0.581 9.727 -7.563 1.00 64.12 C ATOM 767 O GLU A 49 -0.588 10.101 -7.669 1.00 42.24 O ATOM 768 CB GLU A 49 1.764 11.675 -8.604 1.00 14.52 C ATOM 769 CG GLU A 49 2.322 12.245 -7.309 1.00 42.10 C ATOM 770 CD GLU A 49 2.420 13.756 -7.335 1.00 33.44 C ATOM 771 OE1 GLU A 49 3.377 14.284 -7.940 1.00 72.23 O ATOM 772 OE2 GLU A 49 1.540 14.417 -6.747 1.00 23.42 O ATOM 0 H GLU A 49 0.437 10.215 -10.324 1.00 45.12 H new ATOM 0 HA GLU A 49 2.582 9.711 -8.341 1.00 12.42 H new ATOM 0 HB2 GLU A 49 2.416 11.964 -9.428 1.00 14.52 H new ATOM 0 HB3 GLU A 49 0.789 12.123 -8.797 1.00 14.52 H new ATOM 0 HG2 GLU A 49 1.686 11.940 -6.478 1.00 42.10 H new ATOM 0 HG3 GLU A 49 3.310 11.823 -7.126 1.00 42.10 H new ATOM 779 N TRP A 50 1.001 8.956 -6.562 1.00 41.21 N ATOM 780 CA TRP A 50 0.066 8.377 -5.618 1.00 34.22 C ATOM 781 C TRP A 50 0.788 7.627 -4.514 1.00 32.34 C ATOM 782 O TRP A 50 2.016 7.684 -4.406 1.00 34.53 O ATOM 783 CB TRP A 50 -0.907 7.443 -6.343 1.00 35.42 C ATOM 784 CG TRP A 50 -0.321 6.156 -6.827 1.00 51.11 C ATOM 785 CD1 TRP A 50 0.629 5.988 -7.787 1.00 40.03 C ATOM 786 CD2 TRP A 50 -0.686 4.847 -6.390 1.00 23.34 C ATOM 787 NE1 TRP A 50 0.892 4.652 -7.960 1.00 1.40 N ATOM 788 CE2 TRP A 50 0.095 3.933 -7.113 1.00 72.50 C ATOM 789 CE3 TRP A 50 -1.592 4.362 -5.444 1.00 11.05 C ATOM 790 CZ2 TRP A 50 -0.006 2.562 -6.927 1.00 42.42 C ATOM 791 CZ3 TRP A 50 -1.694 3.000 -5.262 1.00 52.32 C ATOM 792 CH2 TRP A 50 -0.903 2.113 -5.997 1.00 12.53 C ATOM 0 H TRP A 50 1.979 8.722 -6.390 1.00 41.21 H new ATOM 0 HA TRP A 50 -0.495 9.191 -5.159 1.00 34.22 H new ATOM 0 HB2 TRP A 50 -1.734 7.216 -5.671 1.00 35.42 H new ATOM 0 HB3 TRP A 50 -1.327 7.975 -7.197 1.00 35.42 H new ATOM 0 HD1 TRP A 50 1.106 6.789 -8.333 1.00 40.03 H new ATOM 0 HE1 TRP A 50 1.570 4.260 -8.613 1.00 1.40 H new ATOM 0 HE3 TRP A 50 -2.201 5.042 -4.866 1.00 11.05 H new ATOM 0 HZ2 TRP A 50 0.602 1.874 -7.496 1.00 42.42 H new ATOM 0 HZ3 TRP A 50 -2.397 2.612 -4.540 1.00 52.32 H new ATOM 0 HH2 TRP A 50 -1.002 1.051 -5.827 1.00 12.53 H new ATOM 803 N PHE A 51 0.020 6.934 -3.682 1.00 52.35 N ATOM 804 CA PHE A 51 0.590 6.140 -2.617 1.00 71.55 C ATOM 805 C PHE A 51 -0.474 5.324 -1.897 1.00 54.14 C ATOM 806 O PHE A 51 -1.674 5.581 -2.037 1.00 42.12 O ATOM 807 CB PHE A 51 1.325 7.039 -1.625 1.00 75.21 C ATOM 808 CG PHE A 51 0.460 8.006 -0.868 1.00 2.24 C ATOM 809 CD1 PHE A 51 0.189 9.264 -1.378 1.00 24.32 C ATOM 810 CD2 PHE A 51 -0.052 7.664 0.369 1.00 12.14 C ATOM 811 CE1 PHE A 51 -0.577 10.163 -0.665 1.00 55.32 C ATOM 812 CE2 PHE A 51 -0.818 8.552 1.087 1.00 73.12 C ATOM 813 CZ PHE A 51 -1.083 9.806 0.570 1.00 10.33 C ATOM 0 H PHE A 51 -0.999 6.910 -3.730 1.00 52.35 H new ATOM 0 HA PHE A 51 1.299 5.443 -3.064 1.00 71.55 H new ATOM 0 HB2 PHE A 51 1.849 6.407 -0.907 1.00 75.21 H new ATOM 0 HB3 PHE A 51 2.084 7.604 -2.166 1.00 75.21 H new ATOM 0 HD1 PHE A 51 0.581 9.545 -2.344 1.00 24.32 H new ATOM 0 HD2 PHE A 51 0.152 6.685 0.778 1.00 12.14 H new ATOM 0 HE1 PHE A 51 -0.780 11.143 -1.071 1.00 55.32 H new ATOM 0 HE2 PHE A 51 -1.212 8.270 2.052 1.00 73.12 H new ATOM 0 HZ PHE A 51 -1.685 10.506 1.131 1.00 10.33 H new ATOM 823 N VAL A 52 -0.022 4.334 -1.139 1.00 12.44 N ATOM 824 CA VAL A 52 -0.905 3.535 -0.300 1.00 44.23 C ATOM 825 C VAL A 52 -0.486 3.670 1.153 1.00 54.12 C ATOM 826 O VAL A 52 0.696 3.856 1.453 1.00 44.13 O ATOM 827 CB VAL A 52 -0.918 2.038 -0.693 1.00 44.30 C ATOM 828 CG1 VAL A 52 -1.435 1.853 -2.109 1.00 21.01 C ATOM 829 CG2 VAL A 52 0.459 1.419 -0.541 1.00 51.43 C ATOM 0 H VAL A 52 0.960 4.063 -1.088 1.00 12.44 H new ATOM 0 HA VAL A 52 -1.915 3.916 -0.447 1.00 44.23 H new ATOM 0 HB VAL A 52 -1.596 1.523 -0.012 1.00 44.30 H new ATOM 0 HG11 VAL A 52 -1.434 0.793 -2.361 1.00 21.01 H new ATOM 0 HG12 VAL A 52 -2.451 2.242 -2.179 1.00 21.01 H new ATOM 0 HG13 VAL A 52 -0.791 2.392 -2.805 1.00 21.01 H new ATOM 0 HG21 VAL A 52 0.418 0.367 -0.824 1.00 51.43 H new ATOM 0 HG22 VAL A 52 1.166 1.941 -1.186 1.00 51.43 H new ATOM 0 HG23 VAL A 52 0.783 1.503 0.496 1.00 51.43 H new ATOM 839 N LEU A 53 -1.440 3.587 2.060 1.00 53.13 N ATOM 840 CA LEU A 53 -1.140 3.793 3.461 1.00 72.35 C ATOM 841 C LEU A 53 -2.009 2.930 4.371 1.00 2.34 C ATOM 842 O LEU A 53 -2.939 2.245 3.920 1.00 33.42 O ATOM 843 CB LEU A 53 -1.225 5.299 3.831 1.00 20.53 C ATOM 844 CG LEU A 53 -2.603 6.002 3.832 1.00 52.42 C ATOM 845 CD1 LEU A 53 -3.431 5.669 2.604 1.00 45.21 C ATOM 846 CD2 LEU A 53 -3.374 5.696 5.104 1.00 13.42 C ATOM 0 H LEU A 53 -2.418 3.381 1.855 1.00 53.13 H new ATOM 0 HA LEU A 53 -0.112 3.469 3.626 1.00 72.35 H new ATOM 0 HB2 LEU A 53 -0.797 5.416 4.826 1.00 20.53 H new ATOM 0 HB3 LEU A 53 -0.580 5.843 3.140 1.00 20.53 H new ATOM 0 HG LEU A 53 -2.404 7.073 3.798 1.00 52.42 H new ATOM 0 HD11 LEU A 53 -4.387 6.189 2.658 1.00 45.21 H new ATOM 0 HD12 LEU A 53 -2.896 5.984 1.708 1.00 45.21 H new ATOM 0 HD13 LEU A 53 -3.605 4.594 2.563 1.00 45.21 H new ATOM 0 HD21 LEU A 53 -4.338 6.204 5.076 1.00 13.42 H new ATOM 0 HD22 LEU A 53 -3.532 4.621 5.184 1.00 13.42 H new ATOM 0 HD23 LEU A 53 -2.806 6.044 5.967 1.00 13.42 H new ATOM 858 N ASN A 54 -1.639 2.930 5.645 1.00 1.53 N ATOM 859 CA ASN A 54 -2.391 2.236 6.678 1.00 64.32 C ATOM 860 C ASN A 54 -2.932 3.222 7.702 1.00 64.54 C ATOM 861 O ASN A 54 -2.181 3.735 8.531 1.00 52.45 O ATOM 862 CB ASN A 54 -1.496 1.225 7.397 1.00 45.31 C ATOM 863 CG ASN A 54 -1.086 0.062 6.521 1.00 54.03 C ATOM 864 OD1 ASN A 54 -1.737 -0.972 6.522 1.00 74.21 O ATOM 865 ND2 ASN A 54 -0.018 0.227 5.756 1.00 31.25 N ATOM 0 H ASN A 54 -0.809 3.412 5.990 1.00 1.53 H new ATOM 0 HA ASN A 54 -3.221 1.719 6.197 1.00 64.32 H new ATOM 0 HB2 ASN A 54 -0.601 1.733 7.757 1.00 45.31 H new ATOM 0 HB3 ASN A 54 -2.021 0.844 8.273 1.00 45.31 H new ATOM 0 HD21 ASN A 54 0.288 -0.525 5.138 1.00 31.25 H new ATOM 0 HD22 ASN A 54 0.499 1.106 5.784 1.00 31.25 H new ATOM 872 N ALA A 55 -4.220 3.500 7.632 1.00 60.23 N ATOM 873 CA ALA A 55 -4.880 4.327 8.635 1.00 12.52 C ATOM 874 C ALA A 55 -5.974 3.514 9.301 1.00 30.43 C ATOM 875 O ALA A 55 -6.712 4.001 10.157 1.00 61.02 O ATOM 876 CB ALA A 55 -5.453 5.590 8.009 1.00 70.14 C ATOM 0 H ALA A 55 -4.835 3.166 6.890 1.00 60.23 H new ATOM 0 HA ALA A 55 -4.150 4.636 9.383 1.00 12.52 H new ATOM 0 HB1 ALA A 55 -5.940 6.189 8.779 1.00 70.14 H new ATOM 0 HB2 ALA A 55 -4.648 6.168 7.554 1.00 70.14 H new ATOM 0 HB3 ALA A 55 -6.182 5.319 7.245 1.00 70.14 H new ATOM 882 N GLU A 56 -6.048 2.263 8.889 1.00 33.43 N ATOM 883 CA GLU A 56 -7.065 1.335 9.341 1.00 13.21 C ATOM 884 C GLU A 56 -6.450 0.385 10.359 1.00 21.30 C ATOM 885 O GLU A 56 -5.515 0.752 11.074 1.00 2.44 O ATOM 886 CB GLU A 56 -7.610 0.536 8.142 1.00 2.24 C ATOM 887 CG GLU A 56 -8.126 1.383 6.980 1.00 63.33 C ATOM 888 CD GLU A 56 -7.036 2.205 6.314 1.00 23.54 C ATOM 889 OE1 GLU A 56 -5.934 1.659 6.074 1.00 3.54 O ATOM 890 OE2 GLU A 56 -7.264 3.407 6.067 1.00 54.04 O ATOM 0 H GLU A 56 -5.393 1.857 8.221 1.00 33.43 H new ATOM 0 HA GLU A 56 -7.887 1.884 9.801 1.00 13.21 H new ATOM 0 HB2 GLU A 56 -6.820 -0.118 7.772 1.00 2.24 H new ATOM 0 HB3 GLU A 56 -8.419 -0.106 8.491 1.00 2.24 H new ATOM 0 HG2 GLU A 56 -8.586 0.730 6.238 1.00 63.33 H new ATOM 0 HG3 GLU A 56 -8.906 2.051 7.344 1.00 63.33 H new ATOM 897 N SER A 57 -6.976 -0.825 10.433 1.00 44.12 N ATOM 898 CA SER A 57 -6.374 -1.858 11.255 1.00 64.34 C ATOM 899 C SER A 57 -5.333 -2.594 10.420 1.00 15.35 C ATOM 900 O SER A 57 -4.136 -2.510 10.694 1.00 51.42 O ATOM 901 CB SER A 57 -7.446 -2.825 11.764 1.00 34.21 C ATOM 902 OG SER A 57 -8.657 -2.137 12.025 1.00 52.00 O ATOM 0 H SER A 57 -7.817 -1.115 9.935 1.00 44.12 H new ATOM 0 HA SER A 57 -5.893 -1.410 12.125 1.00 64.34 H new ATOM 0 HB2 SER A 57 -7.618 -3.607 11.025 1.00 34.21 H new ATOM 0 HB3 SER A 57 -7.098 -3.316 12.673 1.00 34.21 H new ATOM 0 HG SER A 57 -9.195 -2.101 11.207 1.00 52.00 H new ATOM 908 N ASN A 58 -5.807 -3.290 9.382 1.00 62.13 N ATOM 909 CA ASN A 58 -4.934 -3.946 8.402 1.00 50.35 C ATOM 910 C ASN A 58 -4.006 -4.957 9.071 1.00 54.44 C ATOM 911 O ASN A 58 -2.879 -5.187 8.625 1.00 43.12 O ATOM 912 CB ASN A 58 -4.136 -2.898 7.619 1.00 4.35 C ATOM 913 CG ASN A 58 -5.042 -1.909 6.906 1.00 32.51 C ATOM 914 OD1 ASN A 58 -6.172 -2.232 6.550 1.00 2.55 O ATOM 915 ND2 ASN A 58 -4.550 -0.701 6.686 1.00 73.01 N ATOM 0 H ASN A 58 -6.802 -3.415 9.197 1.00 62.13 H new ATOM 0 HA ASN A 58 -5.562 -4.497 7.702 1.00 50.35 H new ATOM 0 HB2 ASN A 58 -3.477 -2.360 8.301 1.00 4.35 H new ATOM 0 HB3 ASN A 58 -3.499 -3.398 6.889 1.00 4.35 H new ATOM 0 HD21 ASN A 58 -5.114 -0.000 6.205 1.00 73.01 H new ATOM 0 HD22 ASN A 58 -3.606 -0.470 6.997 1.00 73.01 H new ATOM 922 N VAL A 59 -4.513 -5.590 10.122 1.00 62.43 N ATOM 923 CA VAL A 59 -3.725 -6.515 10.929 1.00 24.55 C ATOM 924 C VAL A 59 -4.032 -7.966 10.576 1.00 3.22 C ATOM 925 O VAL A 59 -3.185 -8.692 10.053 1.00 51.15 O ATOM 926 CB VAL A 59 -4.036 -6.316 12.422 1.00 62.53 C ATOM 927 CG1 VAL A 59 -3.138 -7.182 13.293 1.00 44.34 C ATOM 928 CG2 VAL A 59 -3.920 -4.856 12.814 1.00 51.25 C ATOM 0 H VAL A 59 -5.476 -5.478 10.438 1.00 62.43 H new ATOM 0 HA VAL A 59 -2.675 -6.306 10.722 1.00 24.55 H new ATOM 0 HB VAL A 59 -5.067 -6.630 12.588 1.00 62.53 H new ATOM 0 HG11 VAL A 59 -3.382 -7.019 14.343 1.00 44.34 H new ATOM 0 HG12 VAL A 59 -3.292 -8.232 13.044 1.00 44.34 H new ATOM 0 HG13 VAL A 59 -2.095 -6.917 13.118 1.00 44.34 H new ATOM 0 HG21 VAL A 59 -4.145 -4.745 13.875 1.00 51.25 H new ATOM 0 HG22 VAL A 59 -2.906 -4.507 12.620 1.00 51.25 H new ATOM 0 HG23 VAL A 59 -4.625 -4.265 12.230 1.00 51.25 H new ATOM 938 N GLU A 60 -5.264 -8.370 10.851 1.00 75.33 N ATOM 939 CA GLU A 60 -5.685 -9.761 10.710 1.00 51.23 C ATOM 940 C GLU A 60 -6.305 -9.949 9.351 1.00 74.04 C ATOM 941 O GLU A 60 -6.729 -11.039 8.969 1.00 73.45 O ATOM 942 CB GLU A 60 -6.723 -10.092 11.776 1.00 51.15 C ATOM 943 CG GLU A 60 -6.293 -9.722 13.182 1.00 21.21 C ATOM 944 CD GLU A 60 -7.449 -9.736 14.155 1.00 0.45 C ATOM 945 OE1 GLU A 60 -7.724 -10.803 14.743 1.00 72.54 O ATOM 946 OE2 GLU A 60 -8.092 -8.679 14.324 1.00 70.44 O ATOM 0 H GLU A 60 -6.001 -7.745 11.178 1.00 75.33 H new ATOM 0 HA GLU A 60 -4.822 -10.416 10.825 1.00 51.23 H new ATOM 0 HB2 GLU A 60 -7.651 -9.571 11.541 1.00 51.15 H new ATOM 0 HB3 GLU A 60 -6.939 -11.160 11.741 1.00 51.15 H new ATOM 0 HG2 GLU A 60 -5.527 -10.419 13.521 1.00 21.21 H new ATOM 0 HG3 GLU A 60 -5.840 -8.730 13.173 1.00 21.21 H new ATOM 953 N VAL A 61 -6.341 -8.857 8.628 1.00 4.43 N ATOM 954 CA VAL A 61 -7.112 -8.764 7.423 1.00 54.03 C ATOM 955 C VAL A 61 -6.273 -9.110 6.203 1.00 42.41 C ATOM 956 O VAL A 61 -6.747 -9.747 5.264 1.00 31.13 O ATOM 957 CB VAL A 61 -7.696 -7.342 7.296 1.00 60.51 C ATOM 958 CG1 VAL A 61 -8.358 -6.934 8.606 1.00 43.44 C ATOM 959 CG2 VAL A 61 -6.635 -6.323 6.909 1.00 4.53 C ATOM 0 H VAL A 61 -5.832 -8.005 8.864 1.00 4.43 H new ATOM 0 HA VAL A 61 -7.927 -9.486 7.474 1.00 54.03 H new ATOM 0 HB VAL A 61 -8.439 -7.360 6.499 1.00 60.51 H new ATOM 0 HG11 VAL A 61 -8.768 -5.929 8.509 1.00 43.44 H new ATOM 0 HG12 VAL A 61 -9.161 -7.632 8.841 1.00 43.44 H new ATOM 0 HG13 VAL A 61 -7.619 -6.948 9.407 1.00 43.44 H new ATOM 0 HG21 VAL A 61 -7.090 -5.336 6.831 1.00 4.53 H new ATOM 0 HG22 VAL A 61 -5.855 -6.304 7.670 1.00 4.53 H new ATOM 0 HG23 VAL A 61 -6.199 -6.599 5.949 1.00 4.53 H new ATOM 969 N ASP A 62 -5.012 -8.750 6.267 1.00 42.02 N ATOM 970 CA ASP A 62 -4.156 -8.769 5.103 1.00 52.55 C ATOM 971 C ASP A 62 -2.920 -9.603 5.402 1.00 22.54 C ATOM 972 O ASP A 62 -2.003 -9.147 6.090 1.00 0.34 O ATOM 973 CB ASP A 62 -3.794 -7.326 4.774 1.00 15.10 C ATOM 974 CG ASP A 62 -3.343 -7.120 3.344 1.00 3.13 C ATOM 975 OD1 ASP A 62 -4.018 -7.616 2.417 1.00 13.43 O ATOM 976 OD2 ASP A 62 -2.325 -6.431 3.146 1.00 75.02 O ATOM 0 H ASP A 62 -4.552 -8.437 7.122 1.00 42.02 H new ATOM 0 HA ASP A 62 -4.656 -9.218 4.245 1.00 52.55 H new ATOM 0 HB2 ASP A 62 -4.659 -6.691 4.967 1.00 15.10 H new ATOM 0 HB3 ASP A 62 -3.001 -6.998 5.446 1.00 15.10 H new ATOM 981 N LEU A 63 -2.911 -10.834 4.913 1.00 32.22 N ATOM 982 CA LEU A 63 -1.913 -11.807 5.342 1.00 33.24 C ATOM 983 C LEU A 63 -0.948 -12.107 4.208 1.00 42.10 C ATOM 984 O LEU A 63 -1.364 -12.249 3.064 1.00 61.41 O ATOM 985 CB LEU A 63 -2.586 -13.102 5.812 1.00 53.55 C ATOM 986 CG LEU A 63 -3.849 -12.924 6.666 1.00 13.10 C ATOM 987 CD1 LEU A 63 -4.350 -14.268 7.163 1.00 71.03 C ATOM 988 CD2 LEU A 63 -3.599 -11.988 7.837 1.00 74.14 C ATOM 0 H LEU A 63 -3.577 -11.183 4.224 1.00 32.22 H new ATOM 0 HA LEU A 63 -1.358 -11.380 6.177 1.00 33.24 H new ATOM 0 HB2 LEU A 63 -2.844 -13.695 4.934 1.00 53.55 H new ATOM 0 HB3 LEU A 63 -1.861 -13.679 6.385 1.00 53.55 H new ATOM 0 HG LEU A 63 -4.615 -12.475 6.035 1.00 13.10 H new ATOM 0 HD11 LEU A 63 -5.246 -14.122 7.767 1.00 71.03 H new ATOM 0 HD12 LEU A 63 -4.586 -14.906 6.311 1.00 71.03 H new ATOM 0 HD13 LEU A 63 -3.578 -14.743 7.769 1.00 71.03 H new ATOM 0 HD21 LEU A 63 -4.513 -11.884 8.421 1.00 74.14 H new ATOM 0 HD22 LEU A 63 -2.810 -12.397 8.468 1.00 74.14 H new ATOM 0 HD23 LEU A 63 -3.294 -11.011 7.463 1.00 74.14 H new ATOM 1000 N THR A 64 0.340 -12.203 4.533 1.00 33.35 N ATOM 1001 CA THR A 64 1.371 -12.436 3.525 1.00 73.04 C ATOM 1002 C THR A 64 1.363 -11.273 2.526 1.00 75.03 C ATOM 1003 O THR A 64 1.645 -11.423 1.325 1.00 10.03 O ATOM 1004 CB THR A 64 1.144 -13.790 2.814 1.00 24.53 C ATOM 1005 OG1 THR A 64 0.851 -14.799 3.792 1.00 20.12 O ATOM 1006 CG2 THR A 64 2.370 -14.213 2.016 1.00 54.24 C ATOM 0 H THR A 64 0.694 -12.123 5.486 1.00 33.35 H new ATOM 0 HA THR A 64 2.348 -12.484 4.005 1.00 73.04 H new ATOM 0 HB THR A 64 0.308 -13.673 2.124 1.00 24.53 H new ATOM 0 HG1 THR A 64 0.137 -15.381 3.457 1.00 20.12 H new ATOM 0 HG21 THR A 64 2.175 -15.169 1.529 1.00 54.24 H new ATOM 0 HG22 THR A 64 2.590 -13.459 1.260 1.00 54.24 H new ATOM 0 HG23 THR A 64 3.223 -14.314 2.687 1.00 54.24 H new ATOM 1014 N ALA A 65 1.065 -10.096 3.070 1.00 34.15 N ATOM 1015 CA ALA A 65 0.949 -8.881 2.289 1.00 52.22 C ATOM 1016 C ALA A 65 2.265 -8.561 1.615 1.00 60.20 C ATOM 1017 O ALA A 65 2.298 -8.164 0.453 1.00 2.10 O ATOM 1018 CB ALA A 65 0.521 -7.729 3.180 1.00 75.34 C ATOM 0 H ALA A 65 0.898 -9.964 4.068 1.00 34.15 H new ATOM 0 HA ALA A 65 0.193 -9.030 1.519 1.00 52.22 H new ATOM 0 HB1 ALA A 65 0.437 -6.820 2.584 1.00 75.34 H new ATOM 0 HB2 ALA A 65 -0.444 -7.958 3.632 1.00 75.34 H new ATOM 0 HB3 ALA A 65 1.263 -7.581 3.965 1.00 75.34 H new ATOM 1024 N LEU A 66 3.348 -8.763 2.350 1.00 61.51 N ATOM 1025 CA LEU A 66 4.678 -8.506 1.831 1.00 64.43 C ATOM 1026 C LEU A 66 4.926 -9.277 0.540 1.00 74.41 C ATOM 1027 O LEU A 66 5.438 -8.727 -0.429 1.00 3.41 O ATOM 1028 CB LEU A 66 5.764 -8.788 2.891 1.00 15.42 C ATOM 1029 CG LEU A 66 6.008 -10.237 3.390 1.00 10.20 C ATOM 1030 CD1 LEU A 66 4.716 -10.972 3.719 1.00 12.43 C ATOM 1031 CD2 LEU A 66 6.859 -11.037 2.413 1.00 63.43 C ATOM 0 H LEU A 66 3.329 -9.105 3.311 1.00 61.51 H new ATOM 0 HA LEU A 66 4.740 -7.445 1.589 1.00 64.43 H new ATOM 0 HB2 LEU A 66 6.709 -8.420 2.492 1.00 15.42 H new ATOM 0 HB3 LEU A 66 5.529 -8.180 3.765 1.00 15.42 H new ATOM 0 HG LEU A 66 6.566 -10.144 4.322 1.00 10.20 H new ATOM 0 HD11 LEU A 66 4.948 -11.980 4.063 1.00 12.43 H new ATOM 0 HD12 LEU A 66 4.182 -10.435 4.503 1.00 12.43 H new ATOM 0 HD13 LEU A 66 4.092 -11.028 2.827 1.00 12.43 H new ATOM 0 HD21 LEU A 66 7.006 -12.045 2.800 1.00 63.43 H new ATOM 0 HD22 LEU A 66 6.354 -11.088 1.448 1.00 63.43 H new ATOM 0 HD23 LEU A 66 7.827 -10.551 2.291 1.00 63.43 H new ATOM 1043 N ASP A 67 4.517 -10.528 0.504 1.00 20.23 N ATOM 1044 CA ASP A 67 4.696 -11.324 -0.690 1.00 72.11 C ATOM 1045 C ASP A 67 3.905 -10.696 -1.825 1.00 22.54 C ATOM 1046 O ASP A 67 4.472 -10.039 -2.707 1.00 44.23 O ATOM 1047 CB ASP A 67 4.235 -12.763 -0.448 1.00 53.03 C ATOM 1048 CG ASP A 67 4.636 -13.710 -1.562 1.00 51.42 C ATOM 1049 OD1 ASP A 67 4.003 -13.680 -2.636 1.00 33.23 O ATOM 1050 OD2 ASP A 67 5.571 -14.511 -1.353 1.00 23.11 O ATOM 0 H ASP A 67 4.063 -11.011 1.279 1.00 20.23 H new ATOM 0 HA ASP A 67 5.753 -11.350 -0.955 1.00 72.11 H new ATOM 0 HB2 ASP A 67 4.655 -13.119 0.493 1.00 53.03 H new ATOM 0 HB3 ASP A 67 3.151 -12.778 -0.339 1.00 53.03 H new ATOM 1055 N ALA A 68 2.590 -10.811 -1.741 1.00 74.24 N ATOM 1056 CA ALA A 68 1.717 -10.371 -2.816 1.00 63.43 C ATOM 1057 C ALA A 68 1.869 -8.878 -3.108 1.00 71.12 C ATOM 1058 O ALA A 68 2.317 -8.480 -4.191 1.00 61.44 O ATOM 1059 CB ALA A 68 0.270 -10.700 -2.478 1.00 25.44 C ATOM 0 H ALA A 68 2.103 -11.207 -0.937 1.00 74.24 H new ATOM 0 HA ALA A 68 2.010 -10.907 -3.719 1.00 63.43 H new ATOM 0 HB1 ALA A 68 -0.378 -10.367 -3.289 1.00 25.44 H new ATOM 0 HB2 ALA A 68 0.163 -11.777 -2.347 1.00 25.44 H new ATOM 0 HB3 ALA A 68 -0.013 -10.192 -1.556 1.00 25.44 H new ATOM 1065 N LEU A 69 1.539 -8.045 -2.137 1.00 73.23 N ATOM 1066 CA LEU A 69 1.393 -6.636 -2.416 1.00 10.40 C ATOM 1067 C LEU A 69 2.665 -5.835 -2.185 1.00 31.00 C ATOM 1068 O LEU A 69 2.721 -4.689 -2.612 1.00 71.32 O ATOM 1069 CB LEU A 69 0.208 -6.029 -1.653 1.00 33.23 C ATOM 1070 CG LEU A 69 0.285 -6.018 -0.120 1.00 50.31 C ATOM 1071 CD1 LEU A 69 1.200 -4.912 0.393 1.00 12.41 C ATOM 1072 CD2 LEU A 69 -1.106 -5.853 0.458 1.00 11.32 C ATOM 0 H LEU A 69 1.371 -8.316 -1.168 1.00 73.23 H new ATOM 0 HA LEU A 69 1.184 -6.568 -3.484 1.00 10.40 H new ATOM 0 HB2 LEU A 69 0.081 -5.001 -1.991 1.00 33.23 H new ATOM 0 HB3 LEU A 69 -0.692 -6.573 -1.941 1.00 33.23 H new ATOM 0 HG LEU A 69 0.708 -6.969 0.203 1.00 50.31 H new ATOM 0 HD11 LEU A 69 1.227 -4.938 1.482 1.00 12.41 H new ATOM 0 HD12 LEU A 69 2.206 -5.061 0.001 1.00 12.41 H new ATOM 0 HD13 LEU A 69 0.822 -3.945 0.063 1.00 12.41 H new ATOM 0 HD21 LEU A 69 -1.049 -5.845 1.546 1.00 11.32 H new ATOM 0 HD22 LEU A 69 -1.535 -4.913 0.111 1.00 11.32 H new ATOM 0 HD23 LEU A 69 -1.736 -6.681 0.133 1.00 11.32 H new ATOM 1084 N ASP A 70 3.692 -6.389 -1.529 1.00 42.02 N ATOM 1085 CA ASP A 70 4.934 -5.632 -1.416 1.00 55.23 C ATOM 1086 C ASP A 70 5.736 -5.834 -2.674 1.00 41.11 C ATOM 1087 O ASP A 70 6.484 -4.954 -3.074 1.00 14.21 O ATOM 1088 CB ASP A 70 5.779 -6.000 -0.206 1.00 43.21 C ATOM 1089 CG ASP A 70 6.848 -4.958 0.089 1.00 72.22 C ATOM 1090 OD1 ASP A 70 7.967 -5.070 -0.464 1.00 73.42 O ATOM 1091 OD2 ASP A 70 6.568 -4.023 0.868 1.00 41.33 O ATOM 0 H ASP A 70 3.689 -7.310 -1.091 1.00 42.02 H new ATOM 0 HA ASP A 70 4.657 -4.587 -1.279 1.00 55.23 H new ATOM 0 HB2 ASP A 70 5.133 -6.112 0.665 1.00 43.21 H new ATOM 0 HB3 ASP A 70 6.254 -6.966 -0.377 1.00 43.21 H new ATOM 1096 N GLN A 71 5.586 -6.995 -3.316 1.00 12.03 N ATOM 1097 CA GLN A 71 6.116 -7.135 -4.659 1.00 54.43 C ATOM 1098 C GLN A 71 5.418 -6.134 -5.555 1.00 14.02 C ATOM 1099 O GLN A 71 6.053 -5.439 -6.327 1.00 1.02 O ATOM 1100 CB GLN A 71 5.930 -8.536 -5.217 1.00 54.34 C ATOM 1101 CG GLN A 71 6.819 -9.575 -4.573 1.00 14.25 C ATOM 1102 CD GLN A 71 6.576 -10.946 -5.154 1.00 24.52 C ATOM 1103 OE1 GLN A 71 7.262 -11.382 -6.078 1.00 51.04 O ATOM 1104 NE2 GLN A 71 5.554 -11.602 -4.653 1.00 1.11 N ATOM 0 H GLN A 71 5.119 -7.819 -2.939 1.00 12.03 H new ATOM 0 HA GLN A 71 7.189 -6.949 -4.621 1.00 54.43 H new ATOM 0 HB2 GLN A 71 4.889 -8.833 -5.088 1.00 54.34 H new ATOM 0 HB3 GLN A 71 6.126 -8.518 -6.289 1.00 54.34 H new ATOM 0 HG2 GLN A 71 7.864 -9.299 -4.714 1.00 14.25 H new ATOM 0 HG3 GLN A 71 6.637 -9.596 -3.499 1.00 14.25 H new ATOM 0 HE21 GLN A 71 5.015 -11.199 -3.886 1.00 1.11 H new ATOM 0 HE22 GLN A 71 5.299 -12.515 -5.030 1.00 1.11 H new ATOM 1113 N LEU A 72 4.098 -6.050 -5.429 1.00 63.33 N ATOM 1114 CA LEU A 72 3.340 -5.057 -6.181 1.00 51.04 C ATOM 1115 C LEU A 72 3.781 -3.638 -5.818 1.00 21.44 C ATOM 1116 O LEU A 72 3.900 -2.782 -6.693 1.00 24.04 O ATOM 1117 CB LEU A 72 1.844 -5.232 -5.943 1.00 50.30 C ATOM 1118 CG LEU A 72 1.274 -6.559 -6.442 1.00 53.42 C ATOM 1119 CD1 LEU A 72 -0.233 -6.590 -6.270 1.00 31.33 C ATOM 1120 CD2 LEU A 72 1.655 -6.794 -7.899 1.00 61.25 C ATOM 0 H LEU A 72 3.537 -6.648 -4.822 1.00 63.33 H new ATOM 0 HA LEU A 72 3.542 -5.211 -7.241 1.00 51.04 H new ATOM 0 HB2 LEU A 72 1.646 -5.145 -4.875 1.00 50.30 H new ATOM 0 HB3 LEU A 72 1.313 -4.416 -6.433 1.00 50.30 H new ATOM 0 HG LEU A 72 1.703 -7.363 -5.844 1.00 53.42 H new ATOM 0 HD11 LEU A 72 -0.621 -7.543 -6.631 1.00 31.33 H new ATOM 0 HD12 LEU A 72 -0.481 -6.473 -5.215 1.00 31.33 H new ATOM 0 HD13 LEU A 72 -0.681 -5.776 -6.840 1.00 31.33 H new ATOM 0 HD21 LEU A 72 1.240 -7.744 -8.235 1.00 61.25 H new ATOM 0 HD22 LEU A 72 1.258 -5.986 -8.514 1.00 61.25 H new ATOM 0 HD23 LEU A 72 2.741 -6.820 -7.992 1.00 61.25 H new ATOM 1132 N ARG A 73 4.024 -3.394 -4.533 1.00 65.33 N ATOM 1133 CA ARG A 73 4.574 -2.116 -4.094 1.00 31.44 C ATOM 1134 C ARG A 73 5.923 -1.904 -4.742 1.00 4.24 C ATOM 1135 O ARG A 73 6.041 -1.180 -5.705 1.00 65.22 O ATOM 1136 CB ARG A 73 4.733 -2.049 -2.565 1.00 70.43 C ATOM 1137 CG ARG A 73 3.432 -1.920 -1.784 1.00 14.32 C ATOM 1138 CD ARG A 73 2.609 -0.727 -2.242 1.00 5.12 C ATOM 1139 NE ARG A 73 1.897 -1.002 -3.488 1.00 71.54 N ATOM 1140 CZ ARG A 73 1.782 -0.139 -4.494 1.00 33.42 C ATOM 1141 NH1 ARG A 73 2.320 1.074 -4.403 1.00 5.04 N ATOM 1142 NH2 ARG A 73 1.134 -0.499 -5.591 1.00 42.04 N ATOM 0 H ARG A 73 3.850 -4.061 -3.781 1.00 65.33 H new ATOM 0 HA ARG A 73 3.875 -1.334 -4.392 1.00 31.44 H new ATOM 0 HB2 ARG A 73 5.252 -2.947 -2.230 1.00 70.43 H new ATOM 0 HB3 ARG A 73 5.372 -1.201 -2.319 1.00 70.43 H new ATOM 0 HG2 ARG A 73 2.846 -2.832 -1.902 1.00 14.32 H new ATOM 0 HG3 ARG A 73 3.655 -1.820 -0.722 1.00 14.32 H new ATOM 0 HD2 ARG A 73 1.892 -0.461 -1.465 1.00 5.12 H new ATOM 0 HD3 ARG A 73 3.263 0.134 -2.380 1.00 5.12 H new ATOM 0 HE ARG A 73 1.459 -1.917 -3.594 1.00 71.54 H new ATOM 0 HH11 ARG A 73 2.824 1.346 -3.559 1.00 5.04 H new ATOM 0 HH12 ARG A 73 2.229 1.732 -5.177 1.00 5.04 H new ATOM 0 HH21 ARG A 73 0.727 -1.432 -5.660 1.00 42.04 H new ATOM 0 HH22 ARG A 73 1.041 0.157 -6.367 1.00 42.04 H new ATOM 1156 N THR A 74 6.905 -2.609 -4.236 1.00 64.44 N ATOM 1157 CA THR A 74 8.275 -2.538 -4.702 1.00 3.02 C ATOM 1158 C THR A 74 8.383 -2.471 -6.233 1.00 33.32 C ATOM 1159 O THR A 74 8.949 -1.517 -6.789 1.00 4.31 O ATOM 1160 CB THR A 74 9.020 -3.770 -4.145 1.00 42.33 C ATOM 1161 OG1 THR A 74 9.484 -3.492 -2.820 1.00 31.11 O ATOM 1162 CG2 THR A 74 10.165 -4.222 -5.031 1.00 70.33 C ATOM 0 H THR A 74 6.773 -3.267 -3.468 1.00 64.44 H new ATOM 0 HA THR A 74 8.727 -1.614 -4.341 1.00 3.02 H new ATOM 0 HB THR A 74 8.310 -4.597 -4.122 1.00 42.33 H new ATOM 0 HG1 THR A 74 8.860 -3.873 -2.168 1.00 31.11 H new ATOM 0 HG21 THR A 74 10.649 -5.091 -4.585 1.00 70.33 H new ATOM 0 HG22 THR A 74 9.780 -4.486 -6.016 1.00 70.33 H new ATOM 0 HG23 THR A 74 10.890 -3.414 -5.129 1.00 70.33 H new ATOM 1170 N GLU A 75 7.775 -3.436 -6.901 1.00 40.54 N ATOM 1171 CA GLU A 75 8.011 -3.657 -8.317 1.00 22.12 C ATOM 1172 C GLU A 75 7.272 -2.648 -9.202 1.00 72.23 C ATOM 1173 O GLU A 75 7.705 -2.372 -10.316 1.00 32.02 O ATOM 1174 CB GLU A 75 7.606 -5.082 -8.682 1.00 51.15 C ATOM 1175 CG GLU A 75 8.206 -5.571 -9.989 1.00 24.13 C ATOM 1176 CD GLU A 75 9.715 -5.677 -9.917 1.00 63.22 C ATOM 1177 OE1 GLU A 75 10.398 -4.641 -10.067 1.00 52.11 O ATOM 1178 OE2 GLU A 75 10.222 -6.796 -9.704 1.00 1.24 O ATOM 0 H GLU A 75 7.109 -4.084 -6.481 1.00 40.54 H new ATOM 0 HA GLU A 75 9.075 -3.513 -8.502 1.00 22.12 H new ATOM 0 HB2 GLU A 75 7.910 -5.754 -7.879 1.00 51.15 H new ATOM 0 HB3 GLU A 75 6.519 -5.136 -8.749 1.00 51.15 H new ATOM 0 HG2 GLU A 75 7.786 -6.545 -10.238 1.00 24.13 H new ATOM 0 HG3 GLU A 75 7.929 -4.889 -10.793 1.00 24.13 H new ATOM 1185 N LEU A 76 6.160 -2.097 -8.726 1.00 73.01 N ATOM 1186 CA LEU A 76 5.404 -1.139 -9.538 1.00 1.25 C ATOM 1187 C LEU A 76 5.614 0.299 -9.057 1.00 20.45 C ATOM 1188 O LEU A 76 5.569 1.241 -9.847 1.00 72.42 O ATOM 1189 CB LEU A 76 3.909 -1.489 -9.561 1.00 73.21 C ATOM 1190 CG LEU A 76 3.532 -2.718 -10.406 1.00 30.23 C ATOM 1191 CD1 LEU A 76 3.983 -4.013 -9.746 1.00 53.21 C ATOM 1192 CD2 LEU A 76 2.035 -2.749 -10.657 1.00 53.15 C ATOM 0 H LEU A 76 5.766 -2.288 -7.805 1.00 73.01 H new ATOM 0 HA LEU A 76 5.787 -1.208 -10.556 1.00 1.25 H new ATOM 0 HB2 LEU A 76 3.577 -1.658 -8.537 1.00 73.21 H new ATOM 0 HB3 LEU A 76 3.357 -0.627 -9.937 1.00 73.21 H new ATOM 0 HG LEU A 76 4.051 -2.633 -11.361 1.00 30.23 H new ATOM 0 HD11 LEU A 76 3.699 -4.859 -10.372 1.00 53.21 H new ATOM 0 HD12 LEU A 76 5.066 -4.000 -9.622 1.00 53.21 H new ATOM 0 HD13 LEU A 76 3.508 -4.109 -8.770 1.00 53.21 H new ATOM 0 HD21 LEU A 76 1.785 -3.624 -11.256 1.00 53.15 H new ATOM 0 HD22 LEU A 76 1.507 -2.798 -9.705 1.00 53.15 H new ATOM 0 HD23 LEU A 76 1.737 -1.847 -11.191 1.00 53.15 H new ATOM 1204 N LEU A 77 5.861 0.451 -7.767 1.00 45.24 N ATOM 1205 CA LEU A 77 6.110 1.755 -7.157 1.00 43.43 C ATOM 1206 C LEU A 77 7.412 2.341 -7.683 1.00 44.23 C ATOM 1207 O LEU A 77 7.533 3.548 -7.876 1.00 11.34 O ATOM 1208 CB LEU A 77 6.145 1.603 -5.626 1.00 43.43 C ATOM 1209 CG LEU A 77 6.381 2.866 -4.803 1.00 0.00 C ATOM 1210 CD1 LEU A 77 5.691 2.729 -3.456 1.00 62.54 C ATOM 1211 CD2 LEU A 77 7.872 3.109 -4.599 1.00 23.41 C ATOM 0 H LEU A 77 5.896 -0.326 -7.107 1.00 45.24 H new ATOM 0 HA LEU A 77 5.306 2.443 -7.420 1.00 43.43 H new ATOM 0 HB2 LEU A 77 5.198 1.166 -5.309 1.00 43.43 H new ATOM 0 HB3 LEU A 77 6.927 0.886 -5.376 1.00 43.43 H new ATOM 0 HG LEU A 77 5.966 3.717 -5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.859 3.631 -2.868 1.00 62.54 H new ATOM 0 HD12 LEU A 77 4.621 2.589 -3.608 1.00 62.54 H new ATOM 0 HD13 LEU A 77 6.097 1.868 -2.925 1.00 62.54 H new ATOM 0 HD21 LEU A 77 8.016 4.015 -4.010 1.00 23.41 H new ATOM 0 HD22 LEU A 77 8.310 2.261 -4.073 1.00 23.41 H new ATOM 0 HD23 LEU A 77 8.358 3.226 -5.568 1.00 23.41 H new ATOM 1223 N ARG A 78 8.379 1.468 -7.940 1.00 2.42 N ATOM 1224 CA ARG A 78 9.656 1.880 -8.520 1.00 1.24 C ATOM 1225 C ARG A 78 9.471 2.545 -9.896 1.00 41.45 C ATOM 1226 O ARG A 78 10.392 3.173 -10.416 1.00 44.52 O ATOM 1227 CB ARG A 78 10.554 0.655 -8.676 1.00 44.25 C ATOM 1228 CG ARG A 78 9.945 -0.389 -9.600 1.00 12.51 C ATOM 1229 CD ARG A 78 10.896 -1.531 -9.898 1.00 5.40 C ATOM 1230 NE ARG A 78 12.036 -1.099 -10.699 1.00 2.33 N ATOM 1231 CZ ARG A 78 13.236 -1.673 -10.662 1.00 54.15 C ATOM 1232 NH1 ARG A 78 13.448 -2.735 -9.894 1.00 32.35 N ATOM 1233 NH2 ARG A 78 14.221 -1.188 -11.409 1.00 51.14 N ATOM 0 H ARG A 78 8.305 0.467 -7.756 1.00 2.42 H new ATOM 0 HA ARG A 78 10.110 2.610 -7.849 1.00 1.24 H new ATOM 0 HB2 ARG A 78 11.523 0.964 -9.068 1.00 44.25 H new ATOM 0 HB3 ARG A 78 10.734 0.211 -7.697 1.00 44.25 H new ATOM 0 HG2 ARG A 78 9.038 -0.786 -9.145 1.00 12.51 H new ATOM 0 HG3 ARG A 78 9.650 0.087 -10.535 1.00 12.51 H new ATOM 0 HD2 ARG A 78 11.253 -1.959 -8.961 1.00 5.40 H new ATOM 0 HD3 ARG A 78 10.361 -2.320 -10.426 1.00 5.40 H new ATOM 0 HE ARG A 78 11.905 -0.306 -11.328 1.00 2.33 H new ATOM 0 HH11 ARG A 78 12.689 -3.115 -9.328 1.00 32.35 H new ATOM 0 HH12 ARG A 78 14.370 -3.171 -9.870 1.00 32.35 H new ATOM 0 HH21 ARG A 78 14.056 -0.379 -12.008 1.00 51.14 H new ATOM 0 HH22 ARG A 78 15.143 -1.625 -11.384 1.00 51.14 H new ATOM 1247 N ARG A 79 8.281 2.407 -10.471 1.00 2.54 N ATOM 1248 CA ARG A 79 8.023 2.840 -11.840 1.00 34.14 C ATOM 1249 C ARG A 79 7.292 4.184 -11.891 1.00 5.31 C ATOM 1250 O ARG A 79 6.862 4.625 -12.959 1.00 4.44 O ATOM 1251 CB ARG A 79 7.207 1.762 -12.558 1.00 43.42 C ATOM 1252 CG ARG A 79 7.967 0.457 -12.734 1.00 43.31 C ATOM 1253 CD ARG A 79 7.039 -0.740 -12.865 1.00 45.21 C ATOM 1254 NE ARG A 79 6.104 -0.624 -13.983 1.00 71.10 N ATOM 1255 CZ ARG A 79 6.303 -1.171 -15.179 1.00 14.01 C ATOM 1256 NH1 ARG A 79 7.475 -1.719 -15.481 1.00 63.22 N ATOM 1257 NH2 ARG A 79 5.336 -1.143 -16.081 1.00 64.20 N ATOM 0 H ARG A 79 7.473 1.995 -10.005 1.00 2.54 H new ATOM 0 HA ARG A 79 8.981 2.981 -12.341 1.00 34.14 H new ATOM 0 HB2 ARG A 79 6.294 1.571 -11.995 1.00 43.42 H new ATOM 0 HB3 ARG A 79 6.905 2.135 -13.537 1.00 43.42 H new ATOM 0 HG2 ARG A 79 8.597 0.523 -13.621 1.00 43.31 H new ATOM 0 HG3 ARG A 79 8.630 0.308 -11.882 1.00 43.31 H new ATOM 0 HD2 ARG A 79 7.637 -1.643 -12.992 1.00 45.21 H new ATOM 0 HD3 ARG A 79 6.476 -0.858 -11.939 1.00 45.21 H new ATOM 0 HE ARG A 79 5.247 -0.091 -13.837 1.00 71.10 H new ATOM 0 HH11 ARG A 79 8.229 -1.722 -14.794 1.00 63.22 H new ATOM 0 HH12 ARG A 79 7.621 -2.137 -16.400 1.00 63.22 H new ATOM 0 HH21 ARG A 79 4.443 -0.703 -15.858 1.00 64.20 H new ATOM 0 HH22 ARG A 79 5.483 -1.561 -17.000 1.00 64.20 H new ATOM 1271 N GLY A 80 7.161 4.841 -10.749 1.00 31.14 N ATOM 1272 CA GLY A 80 6.481 6.119 -10.718 1.00 13.33 C ATOM 1273 C GLY A 80 6.773 6.905 -9.462 1.00 0.42 C ATOM 1274 O GLY A 80 7.566 6.471 -8.626 1.00 61.23 O ATOM 0 H GLY A 80 7.511 4.515 -9.848 1.00 31.14 H new ATOM 0 HA2 GLY A 80 6.780 6.706 -11.587 1.00 13.33 H new ATOM 0 HA3 GLY A 80 5.406 5.956 -10.798 1.00 13.33 H new ATOM 1278 N ILE A 81 6.155 8.070 -9.333 1.00 54.24 N ATOM 1279 CA ILE A 81 6.269 8.853 -8.115 1.00 13.45 C ATOM 1280 C ILE A 81 5.164 8.438 -7.142 1.00 14.22 C ATOM 1281 O ILE A 81 4.066 8.998 -7.111 1.00 15.34 O ATOM 1282 CB ILE A 81 6.254 10.381 -8.395 1.00 14.04 C ATOM 1283 CG1 ILE A 81 6.209 11.185 -7.094 1.00 71.22 C ATOM 1284 CG2 ILE A 81 5.101 10.767 -9.304 1.00 24.02 C ATOM 1285 CD1 ILE A 81 7.433 11.009 -6.229 1.00 73.45 C ATOM 0 H ILE A 81 5.571 8.492 -10.056 1.00 54.24 H new ATOM 0 HA ILE A 81 7.237 8.646 -7.658 1.00 13.45 H new ATOM 0 HB ILE A 81 7.183 10.624 -8.910 1.00 14.04 H new ATOM 0 HG12 ILE A 81 6.094 12.242 -7.334 1.00 71.22 H new ATOM 0 HG13 ILE A 81 5.327 10.890 -6.525 1.00 71.22 H new ATOM 0 HG21 ILE A 81 5.120 11.843 -9.479 1.00 24.02 H new ATOM 0 HG22 ILE A 81 5.196 10.243 -10.255 1.00 24.02 H new ATOM 0 HG23 ILE A 81 4.158 10.493 -8.831 1.00 24.02 H new ATOM 0 HD11 ILE A 81 7.329 11.609 -5.325 1.00 73.45 H new ATOM 0 HD12 ILE A 81 7.539 9.959 -5.957 1.00 73.45 H new ATOM 0 HD13 ILE A 81 8.317 11.332 -6.779 1.00 73.45 H new ATOM 1297 N VAL A 82 5.466 7.401 -6.387 1.00 3.14 N ATOM 1298 CA VAL A 82 4.515 6.794 -5.478 1.00 63.43 C ATOM 1299 C VAL A 82 5.245 6.247 -4.263 1.00 73.03 C ATOM 1300 O VAL A 82 6.417 5.891 -4.357 1.00 62.44 O ATOM 1301 CB VAL A 82 3.714 5.670 -6.197 1.00 4.31 C ATOM 1302 CG1 VAL A 82 4.629 4.831 -7.074 1.00 22.33 C ATOM 1303 CG2 VAL A 82 2.974 4.777 -5.212 1.00 43.01 C ATOM 0 H VAL A 82 6.383 6.954 -6.387 1.00 3.14 H new ATOM 0 HA VAL A 82 3.804 7.552 -5.147 1.00 63.43 H new ATOM 0 HB VAL A 82 2.971 6.161 -6.825 1.00 4.31 H new ATOM 0 HG11 VAL A 82 4.047 4.052 -7.566 1.00 22.33 H new ATOM 0 HG12 VAL A 82 5.095 5.467 -7.827 1.00 22.33 H new ATOM 0 HG13 VAL A 82 5.402 4.372 -6.458 1.00 22.33 H new ATOM 0 HG21 VAL A 82 2.429 4.007 -5.758 1.00 43.01 H new ATOM 0 HG22 VAL A 82 3.690 4.306 -4.539 1.00 43.01 H new ATOM 0 HG23 VAL A 82 2.272 5.377 -4.633 1.00 43.01 H new ATOM 1313 N PHE A 83 4.573 6.224 -3.119 1.00 43.20 N ATOM 1314 CA PHE A 83 5.165 5.668 -1.900 1.00 25.04 C ATOM 1315 C PHE A 83 4.155 4.798 -1.147 1.00 44.13 C ATOM 1316 O PHE A 83 3.036 4.578 -1.617 1.00 24.45 O ATOM 1317 CB PHE A 83 5.681 6.779 -0.985 1.00 24.25 C ATOM 1318 CG PHE A 83 6.819 7.572 -1.557 1.00 54.22 C ATOM 1319 CD1 PHE A 83 8.112 7.077 -1.519 1.00 22.45 C ATOM 1320 CD2 PHE A 83 6.598 8.816 -2.127 1.00 41.03 C ATOM 1321 CE1 PHE A 83 9.164 7.807 -2.038 1.00 30.14 C ATOM 1322 CE2 PHE A 83 7.646 9.552 -2.646 1.00 13.15 C ATOM 1323 CZ PHE A 83 8.930 9.046 -2.603 1.00 25.15 C ATOM 0 H PHE A 83 3.624 6.580 -3.005 1.00 43.20 H new ATOM 0 HA PHE A 83 6.007 5.044 -2.199 1.00 25.04 H new ATOM 0 HB2 PHE A 83 4.859 7.458 -0.758 1.00 24.25 H new ATOM 0 HB3 PHE A 83 6.000 6.337 -0.041 1.00 24.25 H new ATOM 0 HD1 PHE A 83 8.300 6.109 -1.079 1.00 22.45 H new ATOM 0 HD2 PHE A 83 5.595 9.215 -2.166 1.00 41.03 H new ATOM 0 HE1 PHE A 83 10.168 7.410 -2.002 1.00 30.14 H new ATOM 0 HE2 PHE A 83 7.461 10.521 -3.085 1.00 13.15 H new ATOM 0 HZ PHE A 83 9.750 9.618 -3.011 1.00 25.15 H new ATOM 1333 N ALA A 84 4.568 4.280 0.005 1.00 1.30 N ATOM 1334 CA ALA A 84 3.683 3.508 0.864 1.00 1.11 C ATOM 1335 C ALA A 84 4.108 3.607 2.325 1.00 60.51 C ATOM 1336 O ALA A 84 5.302 3.640 2.642 1.00 75.53 O ATOM 1337 CB ALA A 84 3.652 2.057 0.425 1.00 53.14 C ATOM 0 H ALA A 84 5.517 4.383 0.365 1.00 1.30 H new ATOM 0 HA ALA A 84 2.680 3.926 0.773 1.00 1.11 H new ATOM 0 HB1 ALA A 84 2.985 1.493 1.078 1.00 53.14 H new ATOM 0 HB2 ALA A 84 3.292 1.995 -0.602 1.00 53.14 H new ATOM 0 HB3 ALA A 84 4.656 1.638 0.483 1.00 53.14 H new ATOM 1343 N MET A 85 3.121 3.644 3.215 1.00 10.45 N ATOM 1344 CA MET A 85 3.386 3.761 4.642 1.00 31.24 C ATOM 1345 C MET A 85 2.471 2.866 5.471 1.00 0.42 C ATOM 1346 O MET A 85 1.273 2.736 5.200 1.00 31.03 O ATOM 1347 CB MET A 85 3.234 5.207 5.110 1.00 10.43 C ATOM 1348 CG MET A 85 1.923 5.850 4.699 1.00 54.30 C ATOM 1349 SD MET A 85 1.155 6.786 6.033 1.00 71.35 S ATOM 1350 CE MET A 85 0.516 5.445 7.036 1.00 11.43 C ATOM 0 H MET A 85 2.132 3.595 2.972 1.00 10.45 H new ATOM 0 HA MET A 85 4.415 3.435 4.794 1.00 31.24 H new ATOM 0 HB2 MET A 85 3.318 5.238 6.196 1.00 10.43 H new ATOM 0 HB3 MET A 85 4.058 5.797 4.710 1.00 10.43 H new ATOM 0 HG2 MET A 85 2.099 6.512 3.851 1.00 54.30 H new ATOM 0 HG3 MET A 85 1.234 5.076 4.361 1.00 54.30 H new ATOM 0 HE1 MET A 85 -0.565 5.546 7.133 1.00 11.43 H new ATOM 0 HE2 MET A 85 0.750 4.492 6.561 1.00 11.43 H new ATOM 0 HE3 MET A 85 0.974 5.480 8.025 1.00 11.43 H new ATOM 1360 N ALA A 86 3.052 2.271 6.497 1.00 44.31 N ATOM 1361 CA ALA A 86 2.329 1.426 7.427 1.00 64.43 C ATOM 1362 C ALA A 86 2.075 2.172 8.733 1.00 15.44 C ATOM 1363 O ALA A 86 2.488 3.325 8.892 1.00 51.30 O ATOM 1364 CB ALA A 86 3.115 0.153 7.694 1.00 1.34 C ATOM 0 H ALA A 86 4.046 2.362 6.709 1.00 44.31 H new ATOM 0 HA ALA A 86 1.368 1.161 6.985 1.00 64.43 H new ATOM 0 HB1 ALA A 86 2.564 -0.475 8.394 1.00 1.34 H new ATOM 0 HB2 ALA A 86 3.261 -0.387 6.759 1.00 1.34 H new ATOM 0 HB3 ALA A 86 4.085 0.407 8.121 1.00 1.34 H new ATOM 1370 N ARG A 87 1.396 1.523 9.664 1.00 12.23 N ATOM 1371 CA ARG A 87 1.173 2.110 10.977 1.00 70.33 C ATOM 1372 C ARG A 87 1.680 1.161 12.056 1.00 75.34 C ATOM 1373 O ARG A 87 1.324 1.282 13.229 1.00 41.11 O ATOM 1374 CB ARG A 87 -0.306 2.443 11.185 1.00 63.32 C ATOM 1375 CG ARG A 87 -1.221 1.236 11.317 1.00 10.43 C ATOM 1376 CD ARG A 87 -2.640 1.670 11.633 1.00 42.00 C ATOM 1377 NE ARG A 87 -2.675 2.679 12.694 1.00 34.43 N ATOM 1378 CZ ARG A 87 -3.743 3.417 12.984 1.00 64.23 C ATOM 1379 NH1 ARG A 87 -4.909 3.148 12.414 1.00 4.45 N ATOM 1380 NH2 ARG A 87 -3.652 4.401 13.872 1.00 11.22 N ATOM 0 H ARG A 87 0.991 0.595 9.538 1.00 12.23 H new ATOM 0 HA ARG A 87 1.729 3.045 11.044 1.00 70.33 H new ATOM 0 HB2 ARG A 87 -0.403 3.054 12.082 1.00 63.32 H new ATOM 0 HB3 ARG A 87 -0.648 3.050 10.347 1.00 63.32 H new ATOM 0 HG2 ARG A 87 -1.209 0.661 10.391 1.00 10.43 H new ATOM 0 HG3 ARG A 87 -0.853 0.579 12.105 1.00 10.43 H new ATOM 0 HD2 ARG A 87 -3.106 2.072 10.733 1.00 42.00 H new ATOM 0 HD3 ARG A 87 -3.227 0.803 11.936 1.00 42.00 H new ATOM 0 HE ARG A 87 -1.829 2.825 13.244 1.00 34.43 H new ATOM 0 HH11 ARG A 87 -4.987 2.375 11.753 1.00 4.45 H new ATOM 0 HH12 ARG A 87 -5.728 3.714 12.636 1.00 4.45 H new ATOM 0 HH21 ARG A 87 -2.762 4.592 14.333 1.00 11.22 H new ATOM 0 HH22 ARG A 87 -4.472 4.966 14.093 1.00 11.22 H new ATOM 1394 N VAL A 88 2.532 0.231 11.629 1.00 74.22 N ATOM 1395 CA VAL A 88 3.145 -0.758 12.510 1.00 41.10 C ATOM 1396 C VAL A 88 2.107 -1.716 13.082 1.00 63.10 C ATOM 1397 O VAL A 88 1.627 -1.551 14.206 1.00 44.05 O ATOM 1398 CB VAL A 88 3.942 -0.112 13.662 1.00 13.55 C ATOM 1399 CG1 VAL A 88 4.676 -1.181 14.460 1.00 30.31 C ATOM 1400 CG2 VAL A 88 4.915 0.923 13.117 1.00 73.35 C ATOM 0 H VAL A 88 2.818 0.143 10.654 1.00 74.22 H new ATOM 0 HA VAL A 88 3.845 -1.318 11.889 1.00 41.10 H new ATOM 0 HB VAL A 88 3.246 0.395 14.330 1.00 13.55 H new ATOM 0 HG11 VAL A 88 5.234 -0.711 15.270 1.00 30.31 H new ATOM 0 HG12 VAL A 88 3.954 -1.884 14.877 1.00 30.31 H new ATOM 0 HG13 VAL A 88 5.365 -1.714 13.806 1.00 30.31 H new ATOM 0 HG21 VAL A 88 5.470 1.370 13.942 1.00 73.35 H new ATOM 0 HG22 VAL A 88 5.611 0.442 12.430 1.00 73.35 H new ATOM 0 HG23 VAL A 88 4.362 1.700 12.589 1.00 73.35 H new ATOM 1410 N LYS A 89 1.744 -2.699 12.279 1.00 2.25 N ATOM 1411 CA LYS A 89 0.806 -3.732 12.681 1.00 41.24 C ATOM 1412 C LYS A 89 1.374 -5.088 12.285 1.00 34.23 C ATOM 1413 O LYS A 89 0.658 -5.915 11.733 1.00 72.22 O ATOM 1414 CB LYS A 89 -0.543 -3.513 11.984 1.00 15.24 C ATOM 1415 CG LYS A 89 -1.106 -2.105 12.129 1.00 31.11 C ATOM 1416 CD LYS A 89 -2.058 -1.975 13.313 1.00 32.35 C ATOM 1417 CE LYS A 89 -1.351 -2.133 14.649 1.00 3.25 C ATOM 1418 NZ LYS A 89 -2.287 -2.005 15.796 1.00 13.22 N ATOM 0 H LYS A 89 2.092 -2.804 11.326 1.00 2.25 H new ATOM 0 HA LYS A 89 0.654 -3.692 13.760 1.00 41.24 H new ATOM 0 HB2 LYS A 89 -0.431 -3.739 10.924 1.00 15.24 H new ATOM 0 HB3 LYS A 89 -1.265 -4.223 12.386 1.00 15.24 H new ATOM 0 HG2 LYS A 89 -0.284 -1.399 12.249 1.00 31.11 H new ATOM 0 HG3 LYS A 89 -1.630 -1.831 11.214 1.00 31.11 H new ATOM 0 HD2 LYS A 89 -2.546 -1.001 13.277 1.00 32.35 H new ATOM 0 HD3 LYS A 89 -2.842 -2.728 13.229 1.00 32.35 H new ATOM 0 HE2 LYS A 89 -0.863 -3.107 14.687 1.00 3.25 H new ATOM 0 HE3 LYS A 89 -0.568 -1.380 14.735 1.00 3.25 H new ATOM 0 HZ1 LYS A 89 -1.762 -2.119 16.687 1.00 13.22 H new ATOM 0 HZ2 LYS A 89 -2.734 -1.066 15.776 1.00 13.22 H new ATOM 0 HZ3 LYS A 89 -3.020 -2.740 15.729 1.00 13.22 H new ATOM 1432 N GLN A 90 2.678 -5.272 12.560 1.00 12.45 N ATOM 1433 CA GLN A 90 3.491 -6.434 12.121 1.00 42.43 C ATOM 1434 C GLN A 90 3.642 -6.471 10.595 1.00 11.23 C ATOM 1435 O GLN A 90 4.533 -7.140 10.058 1.00 31.43 O ATOM 1436 CB GLN A 90 2.955 -7.773 12.664 1.00 40.22 C ATOM 1437 CG GLN A 90 1.854 -8.404 11.839 1.00 44.41 C ATOM 1438 CD GLN A 90 0.706 -8.884 12.698 1.00 33.14 C ATOM 1439 OE1 GLN A 90 0.898 -9.332 13.828 1.00 10.05 O ATOM 1440 NE2 GLN A 90 -0.498 -8.735 12.191 1.00 62.42 N ATOM 0 H GLN A 90 3.216 -4.601 13.109 1.00 12.45 H new ATOM 0 HA GLN A 90 4.483 -6.297 12.552 1.00 42.43 H new ATOM 0 HB2 GLN A 90 3.784 -8.477 12.735 1.00 40.22 H new ATOM 0 HB3 GLN A 90 2.584 -7.615 13.677 1.00 40.22 H new ATOM 0 HG2 GLN A 90 1.485 -7.680 11.113 1.00 44.41 H new ATOM 0 HG3 GLN A 90 2.260 -9.243 11.274 1.00 44.41 H new ATOM 0 HE21 GLN A 90 -0.612 -8.360 11.249 1.00 62.42 H new ATOM 0 HE22 GLN A 90 -1.318 -8.995 12.739 1.00 62.42 H new ATOM 1449 N ASP A 91 2.796 -5.711 9.915 1.00 0.13 N ATOM 1450 CA ASP A 91 2.846 -5.568 8.469 1.00 14.04 C ATOM 1451 C ASP A 91 4.200 -5.027 8.031 1.00 21.02 C ATOM 1452 O ASP A 91 4.791 -5.512 7.071 1.00 41.10 O ATOM 1453 CB ASP A 91 1.719 -4.638 7.982 1.00 23.23 C ATOM 1454 CG ASP A 91 1.750 -3.241 8.601 1.00 32.32 C ATOM 1455 OD1 ASP A 91 2.334 -3.070 9.700 1.00 12.13 O ATOM 1456 OD2 ASP A 91 1.185 -2.311 7.991 1.00 41.24 O ATOM 0 H ASP A 91 2.050 -5.172 10.356 1.00 0.13 H new ATOM 0 HA ASP A 91 2.705 -6.552 8.022 1.00 14.04 H new ATOM 0 HB2 ASP A 91 1.783 -4.545 6.898 1.00 23.23 H new ATOM 0 HB3 ASP A 91 0.758 -5.101 8.206 1.00 23.23 H new ATOM 1461 N LEU A 92 4.697 -4.036 8.760 1.00 44.25 N ATOM 1462 CA LEU A 92 5.989 -3.436 8.461 1.00 1.34 C ATOM 1463 C LEU A 92 7.119 -4.455 8.602 1.00 30.23 C ATOM 1464 O LEU A 92 8.128 -4.368 7.910 1.00 72.14 O ATOM 1465 CB LEU A 92 6.239 -2.175 9.330 1.00 54.51 C ATOM 1466 CG LEU A 92 6.469 -2.341 10.858 1.00 33.14 C ATOM 1467 CD1 LEU A 92 5.433 -3.241 11.514 1.00 33.54 C ATOM 1468 CD2 LEU A 92 7.879 -2.825 11.164 1.00 42.24 C ATOM 0 H LEU A 92 4.222 -3.630 9.566 1.00 44.25 H new ATOM 0 HA LEU A 92 5.973 -3.113 7.420 1.00 1.34 H new ATOM 0 HB2 LEU A 92 7.109 -1.662 8.921 1.00 54.51 H new ATOM 0 HB3 LEU A 92 5.385 -1.510 9.197 1.00 54.51 H new ATOM 0 HG LEU A 92 6.349 -1.348 11.292 1.00 33.14 H new ATOM 0 HD11 LEU A 92 5.643 -3.321 12.581 1.00 33.54 H new ATOM 0 HD12 LEU A 92 4.439 -2.817 11.371 1.00 33.54 H new ATOM 0 HD13 LEU A 92 5.473 -4.232 11.061 1.00 33.54 H new ATOM 0 HD21 LEU A 92 8.002 -2.929 12.242 1.00 42.24 H new ATOM 0 HD22 LEU A 92 8.044 -3.790 10.685 1.00 42.24 H new ATOM 0 HD23 LEU A 92 8.602 -2.103 10.784 1.00 42.24 H new ATOM 1480 N ARG A 93 6.935 -5.438 9.476 1.00 71.35 N ATOM 1481 CA ARG A 93 7.961 -6.445 9.697 1.00 0.40 C ATOM 1482 C ARG A 93 8.096 -7.299 8.454 1.00 23.14 C ATOM 1483 O ARG A 93 9.175 -7.395 7.853 1.00 22.22 O ATOM 1484 CB ARG A 93 7.614 -7.350 10.880 1.00 73.45 C ATOM 1485 CG ARG A 93 7.219 -6.613 12.147 1.00 30.01 C ATOM 1486 CD ARG A 93 6.985 -7.587 13.289 1.00 52.43 C ATOM 1487 NE ARG A 93 6.157 -8.722 12.882 1.00 23.43 N ATOM 1488 CZ ARG A 93 5.866 -9.756 13.668 1.00 33.55 C ATOM 1489 NH1 ARG A 93 6.293 -9.785 14.926 1.00 41.31 N ATOM 1490 NH2 ARG A 93 5.148 -10.760 13.190 1.00 53.45 N ATOM 0 H ARG A 93 6.092 -5.557 10.038 1.00 71.35 H new ATOM 0 HA ARG A 93 8.896 -5.931 9.918 1.00 0.40 H new ATOM 0 HB2 ARG A 93 6.796 -8.008 10.589 1.00 73.45 H new ATOM 0 HB3 ARG A 93 8.472 -7.986 11.098 1.00 73.45 H new ATOM 0 HG2 ARG A 93 8.002 -5.906 12.421 1.00 30.01 H new ATOM 0 HG3 ARG A 93 6.314 -6.032 11.968 1.00 30.01 H new ATOM 0 HD2 ARG A 93 7.944 -7.952 13.656 1.00 52.43 H new ATOM 0 HD3 ARG A 93 6.504 -7.066 14.117 1.00 52.43 H new ATOM 0 HE ARG A 93 5.778 -8.721 11.935 1.00 23.43 H new ATOM 0 HH11 ARG A 93 6.847 -9.012 15.294 1.00 41.31 H new ATOM 0 HH12 ARG A 93 6.067 -10.580 15.523 1.00 41.31 H new ATOM 0 HH21 ARG A 93 4.821 -10.739 12.224 1.00 53.45 H new ATOM 0 HH22 ARG A 93 4.922 -11.555 13.788 1.00 53.45 H new ATOM 1504 N GLU A 94 6.982 -7.897 8.056 1.00 74.22 N ATOM 1505 CA GLU A 94 6.968 -8.775 6.902 1.00 34.04 C ATOM 1506 C GLU A 94 7.292 -8.005 5.622 1.00 60.20 C ATOM 1507 O GLU A 94 8.103 -8.459 4.814 1.00 50.05 O ATOM 1508 CB GLU A 94 5.624 -9.507 6.789 1.00 12.11 C ATOM 1509 CG GLU A 94 4.408 -8.597 6.807 1.00 22.31 C ATOM 1510 CD GLU A 94 3.104 -9.367 6.738 1.00 51.11 C ATOM 1511 OE1 GLU A 94 2.610 -9.797 7.802 1.00 15.22 O ATOM 1512 OE2 GLU A 94 2.570 -9.544 5.622 1.00 41.52 O ATOM 0 H GLU A 94 6.079 -7.788 8.517 1.00 74.22 H new ATOM 0 HA GLU A 94 7.746 -9.526 7.039 1.00 34.04 H new ATOM 0 HB2 GLU A 94 5.616 -10.085 5.865 1.00 12.11 H new ATOM 0 HB3 GLU A 94 5.542 -10.218 7.611 1.00 12.11 H new ATOM 0 HG2 GLU A 94 4.423 -7.995 7.715 1.00 22.31 H new ATOM 0 HG3 GLU A 94 4.463 -7.906 5.966 1.00 22.31 H new ATOM 1519 N SER A 95 6.688 -6.827 5.452 1.00 10.54 N ATOM 1520 CA SER A 95 6.897 -6.022 4.245 1.00 64.12 C ATOM 1521 C SER A 95 8.374 -5.688 4.058 1.00 53.30 C ATOM 1522 O SER A 95 8.885 -5.684 2.939 1.00 64.42 O ATOM 1523 CB SER A 95 6.065 -4.741 4.304 1.00 13.10 C ATOM 1524 OG SER A 95 4.687 -5.038 4.458 1.00 43.44 O ATOM 0 H SER A 95 6.052 -6.410 6.132 1.00 10.54 H new ATOM 0 HA SER A 95 6.571 -6.611 3.388 1.00 64.12 H new ATOM 0 HB2 SER A 95 6.402 -4.122 5.135 1.00 13.10 H new ATOM 0 HB3 SER A 95 6.217 -4.162 3.393 1.00 13.10 H new ATOM 0 HG SER A 95 4.463 -5.065 5.412 1.00 43.44 H new ATOM 1530 N LEU A 96 9.065 -5.429 5.155 1.00 14.30 N ATOM 1531 CA LEU A 96 10.488 -5.138 5.097 1.00 63.43 C ATOM 1532 C LEU A 96 11.287 -6.390 4.758 1.00 14.15 C ATOM 1533 O LEU A 96 12.334 -6.309 4.120 1.00 31.44 O ATOM 1534 CB LEU A 96 10.968 -4.536 6.415 1.00 23.24 C ATOM 1535 CG LEU A 96 11.015 -3.003 6.448 1.00 1.33 C ATOM 1536 CD1 LEU A 96 12.045 -2.489 5.457 1.00 40.21 C ATOM 1537 CD2 LEU A 96 9.646 -2.408 6.138 1.00 63.43 C ATOM 0 H LEU A 96 8.666 -5.414 6.094 1.00 14.30 H new ATOM 0 HA LEU A 96 10.651 -4.408 4.305 1.00 63.43 H new ATOM 0 HB2 LEU A 96 10.313 -4.882 7.215 1.00 23.24 H new ATOM 0 HB3 LEU A 96 11.965 -4.920 6.631 1.00 23.24 H new ATOM 0 HG LEU A 96 11.302 -2.693 7.453 1.00 1.33 H new ATOM 0 HD11 LEU A 96 12.069 -1.400 5.489 1.00 40.21 H new ATOM 0 HD12 LEU A 96 13.028 -2.882 5.717 1.00 40.21 H new ATOM 0 HD13 LEU A 96 11.778 -2.816 4.452 1.00 40.21 H new ATOM 0 HD21 LEU A 96 9.707 -1.320 6.168 1.00 63.43 H new ATOM 0 HD22 LEU A 96 9.327 -2.727 5.146 1.00 63.43 H new ATOM 0 HD23 LEU A 96 8.924 -2.751 6.879 1.00 63.43 H new ATOM 1549 N ARG A 97 10.781 -7.547 5.172 1.00 11.10 N ATOM 1550 CA ARG A 97 11.426 -8.820 4.854 1.00 52.45 C ATOM 1551 C ARG A 97 11.199 -9.205 3.392 1.00 5.21 C ATOM 1552 O ARG A 97 11.908 -10.055 2.851 1.00 52.12 O ATOM 1553 CB ARG A 97 10.908 -9.931 5.773 1.00 4.11 C ATOM 1554 CG ARG A 97 11.363 -9.786 7.216 1.00 3.10 C ATOM 1555 CD ARG A 97 12.875 -9.899 7.333 1.00 11.20 C ATOM 1556 NE ARG A 97 13.341 -9.669 8.700 1.00 71.11 N ATOM 1557 CZ ARG A 97 14.534 -10.051 9.157 1.00 73.34 C ATOM 1558 NH1 ARG A 97 15.364 -10.730 8.371 1.00 34.03 N ATOM 1559 NH2 ARG A 97 14.890 -9.760 10.405 1.00 23.44 N ATOM 0 H ARG A 97 9.929 -7.632 5.727 1.00 11.10 H new ATOM 0 HA ARG A 97 12.497 -8.697 5.014 1.00 52.45 H new ATOM 0 HB2 ARG A 97 9.818 -9.938 5.743 1.00 4.11 H new ATOM 0 HB3 ARG A 97 11.244 -10.895 5.390 1.00 4.11 H new ATOM 0 HG2 ARG A 97 11.037 -8.822 7.607 1.00 3.10 H new ATOM 0 HG3 ARG A 97 10.890 -10.555 7.827 1.00 3.10 H new ATOM 0 HD2 ARG A 97 13.190 -10.890 7.005 1.00 11.20 H new ATOM 0 HD3 ARG A 97 13.345 -9.177 6.664 1.00 11.20 H new ATOM 0 HE ARG A 97 12.714 -9.186 9.344 1.00 71.11 H new ATOM 0 HH11 ARG A 97 15.089 -10.960 7.416 1.00 34.03 H new ATOM 0 HH12 ARG A 97 16.276 -11.021 8.723 1.00 34.03 H new ATOM 0 HH21 ARG A 97 14.251 -9.245 11.011 1.00 23.44 H new ATOM 0 HH22 ARG A 97 15.802 -10.051 10.756 1.00 23.44 H new ATOM 1573 N ALA A 98 10.205 -8.590 2.763 1.00 4.22 N ATOM 1574 CA ALA A 98 9.903 -8.856 1.359 1.00 22.23 C ATOM 1575 C ALA A 98 10.957 -8.253 0.439 1.00 35.53 C ATOM 1576 O ALA A 98 11.731 -8.978 -0.191 1.00 33.41 O ATOM 1577 CB ALA A 98 8.532 -8.314 0.997 1.00 51.34 C ATOM 0 H ALA A 98 9.593 -7.903 3.202 1.00 4.22 H new ATOM 0 HA ALA A 98 9.908 -9.937 1.221 1.00 22.23 H new ATOM 0 HB1 ALA A 98 8.324 -8.521 -0.053 1.00 51.34 H new ATOM 0 HB2 ALA A 98 7.776 -8.794 1.618 1.00 51.34 H new ATOM 0 HB3 ALA A 98 8.510 -7.237 1.165 1.00 51.34 H new ATOM 1583 N ALA A 99 10.979 -6.933 0.361 1.00 71.23 N ATOM 1584 CA ALA A 99 11.925 -6.240 -0.498 1.00 25.45 C ATOM 1585 C ALA A 99 13.275 -6.089 0.183 1.00 63.04 C ATOM 1586 O ALA A 99 14.298 -6.497 -0.365 1.00 73.03 O ATOM 1587 CB ALA A 99 11.385 -4.876 -0.893 1.00 21.02 C ATOM 0 H ALA A 99 10.353 -6.319 0.882 1.00 71.23 H new ATOM 0 HA ALA A 99 12.061 -6.841 -1.397 1.00 25.45 H new ATOM 0 HB1 ALA A 99 12.106 -4.371 -1.536 1.00 21.02 H new ATOM 0 HB2 ALA A 99 10.444 -4.999 -1.429 1.00 21.02 H new ATOM 0 HB3 ALA A 99 11.217 -4.278 0.003 1.00 21.02 H new ATOM 1593 N SER A 100 13.262 -5.476 1.369 1.00 22.10 N ATOM 1594 CA SER A 100 14.472 -5.236 2.166 1.00 54.42 C ATOM 1595 C SER A 100 15.392 -4.178 1.541 1.00 13.54 C ATOM 1596 O SER A 100 15.992 -3.376 2.258 1.00 62.01 O ATOM 1597 CB SER A 100 15.244 -6.545 2.393 1.00 1.42 C ATOM 1598 OG SER A 100 14.452 -7.488 3.097 1.00 72.24 O ATOM 0 H SER A 100 12.409 -5.130 1.807 1.00 22.10 H new ATOM 0 HA SER A 100 14.139 -4.845 3.127 1.00 54.42 H new ATOM 0 HB2 SER A 100 15.547 -6.964 1.433 1.00 1.42 H new ATOM 0 HB3 SER A 100 16.156 -6.341 2.954 1.00 1.42 H new ATOM 0 HG SER A 100 13.711 -7.026 3.541 1.00 72.24 H new ATOM 1604 N LEU A 101 15.482 -4.158 0.213 1.00 4.41 N ATOM 1605 CA LEU A 101 16.438 -3.307 -0.483 1.00 42.53 C ATOM 1606 C LEU A 101 15.978 -1.844 -0.550 1.00 75.40 C ATOM 1607 O LEU A 101 15.746 -1.278 -1.631 1.00 50.31 O ATOM 1608 CB LEU A 101 16.703 -3.857 -1.889 1.00 70.04 C ATOM 1609 CG LEU A 101 17.958 -3.314 -2.578 1.00 75.44 C ATOM 1610 CD1 LEU A 101 19.196 -3.593 -1.737 1.00 24.34 C ATOM 1611 CD2 LEU A 101 18.116 -3.932 -3.959 1.00 45.44 C ATOM 0 H LEU A 101 14.900 -4.725 -0.403 1.00 4.41 H new ATOM 0 HA LEU A 101 17.366 -3.319 0.089 1.00 42.53 H new ATOM 0 HB2 LEU A 101 16.783 -4.942 -1.828 1.00 70.04 H new ATOM 0 HB3 LEU A 101 15.840 -3.636 -2.516 1.00 70.04 H new ATOM 0 HG LEU A 101 17.847 -2.235 -2.686 1.00 75.44 H new ATOM 0 HD11 LEU A 101 20.077 -3.199 -2.244 1.00 24.34 H new ATOM 0 HD12 LEU A 101 19.092 -3.111 -0.765 1.00 24.34 H new ATOM 0 HD13 LEU A 101 19.307 -4.668 -1.599 1.00 24.34 H new ATOM 0 HD21 LEU A 101 19.013 -3.535 -4.435 1.00 45.44 H new ATOM 0 HD22 LEU A 101 18.204 -5.014 -3.865 1.00 45.44 H new ATOM 0 HD23 LEU A 101 17.245 -3.690 -4.568 1.00 45.44 H new ATOM 1623 N LEU A 102 15.877 -1.218 0.612 1.00 53.43 N ATOM 1624 CA LEU A 102 15.606 0.206 0.678 1.00 21.23 C ATOM 1625 C LEU A 102 16.860 0.980 0.317 1.00 13.24 C ATOM 1626 O LEU A 102 16.884 2.203 0.348 1.00 73.11 O ATOM 1627 CB LEU A 102 15.090 0.616 2.057 1.00 14.05 C ATOM 1628 CG LEU A 102 13.650 0.192 2.348 1.00 2.41 C ATOM 1629 CD1 LEU A 102 13.204 0.718 3.703 1.00 21.43 C ATOM 1630 CD2 LEU A 102 12.720 0.687 1.247 1.00 72.22 C ATOM 0 H LEU A 102 15.979 -1.674 1.519 1.00 53.43 H new ATOM 0 HA LEU A 102 14.821 0.442 -0.041 1.00 21.23 H new ATOM 0 HB2 LEU A 102 15.742 0.186 2.817 1.00 14.05 H new ATOM 0 HB3 LEU A 102 15.162 1.700 2.150 1.00 14.05 H new ATOM 0 HG LEU A 102 13.606 -0.897 2.373 1.00 2.41 H new ATOM 0 HD11 LEU A 102 12.177 0.407 3.894 1.00 21.43 H new ATOM 0 HD12 LEU A 102 13.855 0.318 4.481 1.00 21.43 H new ATOM 0 HD13 LEU A 102 13.260 1.807 3.707 1.00 21.43 H new ATOM 0 HD21 LEU A 102 11.698 0.378 1.467 1.00 72.22 H new ATOM 0 HD22 LEU A 102 12.766 1.775 1.193 1.00 72.22 H new ATOM 0 HD23 LEU A 102 13.029 0.263 0.292 1.00 72.22 H new ATOM 1642 N ASP A 103 17.904 0.243 -0.020 1.00 64.23 N ATOM 1643 CA ASP A 103 19.084 0.826 -0.617 1.00 12.02 C ATOM 1644 C ASP A 103 18.744 1.372 -2.000 1.00 4.43 C ATOM 1645 O ASP A 103 19.154 2.476 -2.364 1.00 40.25 O ATOM 1646 CB ASP A 103 20.194 -0.222 -0.718 1.00 11.12 C ATOM 1647 CG ASP A 103 21.403 0.279 -1.474 1.00 12.10 C ATOM 1648 OD1 ASP A 103 22.257 0.947 -0.859 1.00 71.54 O ATOM 1649 OD2 ASP A 103 21.511 -0.008 -2.683 1.00 11.51 O ATOM 0 H ASP A 103 17.954 -0.767 0.113 1.00 64.23 H new ATOM 0 HA ASP A 103 19.436 1.645 0.010 1.00 12.02 H new ATOM 0 HB2 ASP A 103 20.497 -0.522 0.285 1.00 11.12 H new ATOM 0 HB3 ASP A 103 19.804 -1.111 -1.213 1.00 11.12 H new ATOM 1654 N LYS A 104 17.963 0.599 -2.752 1.00 35.44 N ATOM 1655 CA LYS A 104 17.555 1.000 -4.091 1.00 34.32 C ATOM 1656 C LYS A 104 16.369 1.955 -4.006 1.00 2.03 C ATOM 1657 O LYS A 104 16.255 2.894 -4.797 1.00 35.22 O ATOM 1658 CB LYS A 104 17.190 -0.231 -4.940 1.00 10.53 C ATOM 1659 CG LYS A 104 15.782 -0.760 -4.698 1.00 0.24 C ATOM 1660 CD LYS A 104 15.588 -2.146 -5.281 1.00 2.01 C ATOM 1661 CE LYS A 104 14.127 -2.567 -5.250 1.00 44.42 C ATOM 1662 NZ LYS A 104 13.338 -1.921 -6.335 1.00 63.00 N ATOM 0 H LYS A 104 17.602 -0.307 -2.455 1.00 35.44 H new ATOM 0 HA LYS A 104 18.389 1.510 -4.572 1.00 34.32 H new ATOM 0 HB2 LYS A 104 17.294 0.025 -5.994 1.00 10.53 H new ATOM 0 HB3 LYS A 104 17.906 -1.027 -4.733 1.00 10.53 H new ATOM 0 HG2 LYS A 104 15.584 -0.786 -3.626 1.00 0.24 H new ATOM 0 HG3 LYS A 104 15.057 -0.076 -5.139 1.00 0.24 H new ATOM 0 HD2 LYS A 104 15.950 -2.163 -6.309 1.00 2.01 H new ATOM 0 HD3 LYS A 104 16.186 -2.864 -4.720 1.00 2.01 H new ATOM 0 HE2 LYS A 104 14.060 -3.650 -5.348 1.00 44.42 H new ATOM 0 HE3 LYS A 104 13.695 -2.307 -4.284 1.00 44.42 H new ATOM 0 HZ1 LYS A 104 12.352 -2.248 -6.289 1.00 63.00 H new ATOM 0 HZ2 LYS A 104 13.367 -0.888 -6.217 1.00 63.00 H new ATOM 0 HZ3 LYS A 104 13.744 -2.175 -7.258 1.00 63.00 H new ATOM 1676 N ILE A 105 15.489 1.719 -3.035 1.00 74.14 N ATOM 1677 CA ILE A 105 14.298 2.555 -2.881 1.00 61.00 C ATOM 1678 C ILE A 105 14.622 3.755 -2.006 1.00 25.33 C ATOM 1679 O ILE A 105 14.852 4.857 -2.503 1.00 25.14 O ATOM 1680 CB ILE A 105 13.113 1.779 -2.266 1.00 4.20 C ATOM 1681 CG1 ILE A 105 13.261 0.296 -2.568 1.00 52.11 C ATOM 1682 CG2 ILE A 105 11.798 2.311 -2.812 1.00 35.10 C ATOM 1683 CD1 ILE A 105 12.212 -0.580 -1.925 1.00 43.33 C ATOM 0 H ILE A 105 15.575 0.967 -2.351 1.00 74.14 H new ATOM 0 HA ILE A 105 14.000 2.881 -3.877 1.00 61.00 H new ATOM 0 HB ILE A 105 13.113 1.918 -1.185 1.00 4.20 H new ATOM 0 HG12 ILE A 105 13.225 0.152 -3.648 1.00 52.11 H new ATOM 0 HG13 ILE A 105 14.245 -0.033 -2.236 1.00 52.11 H new ATOM 0 HG21 ILE A 105 10.970 1.756 -2.371 1.00 35.10 H new ATOM 0 HG22 ILE A 105 11.701 3.367 -2.562 1.00 35.10 H new ATOM 0 HG23 ILE A 105 11.779 2.192 -3.895 1.00 35.10 H new ATOM 0 HD11 ILE A 105 12.393 -1.621 -2.193 1.00 43.33 H new ATOM 0 HD12 ILE A 105 12.261 -0.470 -0.842 1.00 43.33 H new ATOM 0 HD13 ILE A 105 11.224 -0.282 -2.276 1.00 43.33 H new ATOM 1695 N GLY A 106 14.660 3.526 -0.704 1.00 23.34 N ATOM 1696 CA GLY A 106 15.094 4.556 0.207 1.00 14.54 C ATOM 1697 C GLY A 106 14.045 4.978 1.218 1.00 65.10 C ATOM 1698 O GLY A 106 13.935 4.380 2.290 1.00 23.45 O ATOM 0 H GLY A 106 14.398 2.644 -0.264 1.00 23.34 H new ATOM 0 HA2 GLY A 106 15.976 4.204 0.742 1.00 14.54 H new ATOM 0 HA3 GLY A 106 15.399 5.430 -0.369 1.00 14.54 H new ATOM 1702 N GLU A 107 13.266 5.993 0.872 1.00 24.11 N ATOM 1703 CA GLU A 107 12.343 6.620 1.811 1.00 64.33 C ATOM 1704 C GLU A 107 10.931 6.064 1.654 1.00 74.32 C ATOM 1705 O GLU A 107 9.949 6.725 1.995 1.00 44.30 O ATOM 1706 CB GLU A 107 12.333 8.134 1.594 1.00 11.30 C ATOM 1707 CG GLU A 107 13.702 8.778 1.747 1.00 52.43 C ATOM 1708 CD GLU A 107 13.664 10.281 1.565 1.00 25.51 C ATOM 1709 OE1 GLU A 107 13.806 10.753 0.418 1.00 33.41 O ATOM 1710 OE2 GLU A 107 13.492 10.997 2.572 1.00 34.35 O ATOM 0 H GLU A 107 13.255 6.404 -0.061 1.00 24.11 H new ATOM 0 HA GLU A 107 12.683 6.398 2.822 1.00 64.33 H new ATOM 0 HB2 GLU A 107 11.949 8.347 0.596 1.00 11.30 H new ATOM 0 HB3 GLU A 107 11.644 8.590 2.305 1.00 11.30 H new ATOM 0 HG2 GLU A 107 14.100 8.546 2.735 1.00 52.43 H new ATOM 0 HG3 GLU A 107 14.386 8.345 1.018 1.00 52.43 H new ATOM 1717 N ASP A 108 10.838 4.844 1.158 1.00 52.34 N ATOM 1718 CA ASP A 108 9.551 4.188 0.977 1.00 63.44 C ATOM 1719 C ASP A 108 9.397 3.059 1.994 1.00 34.32 C ATOM 1720 O ASP A 108 10.381 2.641 2.606 1.00 34.04 O ATOM 1721 CB ASP A 108 9.430 3.655 -0.458 1.00 53.32 C ATOM 1722 CG ASP A 108 8.104 2.968 -0.720 1.00 14.12 C ATOM 1723 OD1 ASP A 108 7.074 3.453 -0.210 1.00 74.34 O ATOM 1724 OD2 ASP A 108 8.095 1.937 -1.423 1.00 43.34 O ATOM 0 H ASP A 108 11.640 4.283 0.871 1.00 52.34 H new ATOM 0 HA ASP A 108 8.751 4.910 1.141 1.00 63.44 H new ATOM 0 HB2 ASP A 108 9.551 4.481 -1.159 1.00 53.32 H new ATOM 0 HB3 ASP A 108 10.242 2.953 -0.650 1.00 53.32 H new ATOM 1729 N HIS A 109 8.163 2.571 2.162 1.00 14.12 N ATOM 1730 CA HIS A 109 7.844 1.516 3.133 1.00 24.04 C ATOM 1731 C HIS A 109 8.009 2.048 4.555 1.00 25.35 C ATOM 1732 O HIS A 109 8.456 1.331 5.451 1.00 54.30 O ATOM 1733 CB HIS A 109 8.726 0.263 2.933 1.00 61.42 C ATOM 1734 CG HIS A 109 8.671 -0.325 1.554 1.00 0.44 C ATOM 1735 ND1 HIS A 109 7.912 -1.426 1.217 1.00 23.22 N ATOM 1736 CD2 HIS A 109 9.296 0.051 0.417 1.00 61.11 C ATOM 1737 CE1 HIS A 109 8.076 -1.694 -0.064 1.00 45.20 C ATOM 1738 NE2 HIS A 109 8.910 -0.811 -0.577 1.00 65.23 N ATOM 0 H HIS A 109 7.356 2.896 1.629 1.00 14.12 H new ATOM 0 HA HIS A 109 6.808 1.220 2.970 1.00 24.04 H new ATOM 0 HB2 HIS A 109 9.760 0.522 3.163 1.00 61.42 H new ATOM 0 HB3 HIS A 109 8.421 -0.498 3.651 1.00 61.42 H new ATOM 0 HD2 HIS A 109 9.978 0.882 0.310 1.00 61.11 H new ATOM 0 HE1 HIS A 109 7.605 -2.503 -0.603 1.00 45.20 H new ATOM 0 HE2 HIS A 109 9.216 -0.775 -1.549 1.00 65.23 H new ATOM 1747 N ILE A 110 7.615 3.299 4.762 1.00 61.02 N ATOM 1748 CA ILE A 110 7.787 3.949 6.064 1.00 2.22 C ATOM 1749 C ILE A 110 6.487 3.893 6.866 1.00 72.41 C ATOM 1750 O ILE A 110 5.644 3.035 6.617 1.00 70.31 O ATOM 1751 CB ILE A 110 8.292 5.422 5.941 1.00 51.23 C ATOM 1752 CG1 ILE A 110 7.185 6.404 5.511 1.00 3.01 C ATOM 1753 CG2 ILE A 110 9.469 5.497 4.980 1.00 73.11 C ATOM 1754 CD1 ILE A 110 6.466 6.038 4.237 1.00 34.34 C ATOM 0 H ILE A 110 7.176 3.885 4.052 1.00 61.02 H new ATOM 0 HA ILE A 110 8.560 3.394 6.595 1.00 2.22 H new ATOM 0 HB ILE A 110 8.613 5.729 6.937 1.00 51.23 H new ATOM 0 HG12 ILE A 110 6.453 6.477 6.315 1.00 3.01 H new ATOM 0 HG13 ILE A 110 7.625 7.394 5.390 1.00 3.01 H new ATOM 0 HG21 ILE A 110 9.811 6.529 4.904 1.00 73.11 H new ATOM 0 HG22 ILE A 110 10.282 4.872 5.350 1.00 73.11 H new ATOM 0 HG23 ILE A 110 9.159 5.144 3.997 1.00 73.11 H new ATOM 0 HD11 ILE A 110 5.707 6.789 4.019 1.00 34.34 H new ATOM 0 HD12 ILE A 110 7.181 5.995 3.415 1.00 34.34 H new ATOM 0 HD13 ILE A 110 5.990 5.065 4.355 1.00 34.34 H new ATOM 1766 N PHE A 111 6.324 4.791 7.830 1.00 10.24 N ATOM 1767 CA PHE A 111 5.156 4.764 8.699 1.00 2.55 C ATOM 1768 C PHE A 111 4.281 6.004 8.517 1.00 33.31 C ATOM 1769 O PHE A 111 4.545 6.835 7.652 1.00 22.32 O ATOM 1770 CB PHE A 111 5.598 4.632 10.156 1.00 4.03 C ATOM 1771 CG PHE A 111 6.440 3.418 10.390 1.00 12.44 C ATOM 1772 CD1 PHE A 111 5.932 2.158 10.124 1.00 21.25 C ATOM 1773 CD2 PHE A 111 7.740 3.531 10.854 1.00 13.40 C ATOM 1774 CE1 PHE A 111 6.702 1.032 10.323 1.00 3.14 C ATOM 1775 CE2 PHE A 111 8.516 2.406 11.054 1.00 43.12 C ATOM 1776 CZ PHE A 111 7.997 1.155 10.788 1.00 51.34 C ATOM 0 H PHE A 111 6.983 5.544 8.029 1.00 10.24 H new ATOM 0 HA PHE A 111 4.552 3.899 8.423 1.00 2.55 H new ATOM 0 HB2 PHE A 111 6.159 5.521 10.444 1.00 4.03 H new ATOM 0 HB3 PHE A 111 4.718 4.589 10.797 1.00 4.03 H new ATOM 0 HD1 PHE A 111 4.922 2.056 9.757 1.00 21.25 H new ATOM 0 HD2 PHE A 111 8.151 4.508 11.061 1.00 13.40 H new ATOM 0 HE1 PHE A 111 6.293 0.054 10.115 1.00 3.14 H new ATOM 0 HE2 PHE A 111 9.528 2.505 11.418 1.00 43.12 H new ATOM 0 HZ PHE A 111 8.602 0.274 10.943 1.00 51.34 H new ATOM 1786 N MET A 112 3.217 6.069 9.323 1.00 13.14 N ATOM 1787 CA MET A 112 2.270 7.196 9.352 1.00 20.05 C ATOM 1788 C MET A 112 2.961 8.555 9.208 1.00 44.34 C ATOM 1789 O MET A 112 3.581 9.043 10.155 1.00 0.14 O ATOM 1790 CB MET A 112 1.481 7.147 10.670 1.00 23.55 C ATOM 1791 CG MET A 112 0.531 8.318 10.907 1.00 12.31 C ATOM 1792 SD MET A 112 -1.079 8.135 10.099 1.00 30.05 S ATOM 1793 CE MET A 112 -0.674 8.505 8.399 1.00 11.55 C ATOM 0 H MET A 112 2.983 5.330 9.986 1.00 13.14 H new ATOM 0 HA MET A 112 1.602 7.092 8.497 1.00 20.05 H new ATOM 0 HB2 MET A 112 0.904 6.222 10.695 1.00 23.55 H new ATOM 0 HB3 MET A 112 2.190 7.103 11.497 1.00 23.55 H new ATOM 0 HG2 MET A 112 0.376 8.436 11.980 1.00 12.31 H new ATOM 0 HG3 MET A 112 1.003 9.233 10.550 1.00 12.31 H new ATOM 0 HE1 MET A 112 -1.185 9.418 8.094 1.00 11.55 H new ATOM 0 HE2 MET A 112 0.403 8.643 8.303 1.00 11.55 H new ATOM 0 HE3 MET A 112 -0.992 7.680 7.761 1.00 11.55 H new ATOM 1803 N THR A 113 2.843 9.148 8.015 1.00 3.11 N ATOM 1804 CA THR A 113 3.403 10.475 7.735 1.00 42.04 C ATOM 1805 C THR A 113 3.313 10.808 6.236 1.00 54.14 C ATOM 1806 O THR A 113 3.253 11.974 5.848 1.00 33.13 O ATOM 1807 CB THR A 113 4.881 10.588 8.193 1.00 4.14 C ATOM 1808 OG1 THR A 113 5.312 11.953 8.148 1.00 65.22 O ATOM 1809 CG2 THR A 113 5.798 9.733 7.326 1.00 0.00 C ATOM 0 H THR A 113 2.361 8.726 7.222 1.00 3.11 H new ATOM 0 HA THR A 113 2.807 11.190 8.303 1.00 42.04 H new ATOM 0 HB THR A 113 4.938 10.222 9.218 1.00 4.14 H new ATOM 0 HG1 THR A 113 6.245 12.011 8.441 1.00 65.22 H new ATOM 0 HG21 THR A 113 6.826 9.835 7.673 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.494 8.689 7.394 1.00 0.00 H new ATOM 0 HG23 THR A 113 5.731 10.063 6.289 1.00 0.00 H new ATOM 1817 N LEU A 114 3.270 9.768 5.403 1.00 23.22 N ATOM 1818 CA LEU A 114 3.312 9.920 3.943 1.00 75.54 C ATOM 1819 C LEU A 114 2.273 10.911 3.381 1.00 14.30 C ATOM 1820 O LEU A 114 2.611 11.683 2.483 1.00 75.45 O ATOM 1821 CB LEU A 114 3.154 8.561 3.266 1.00 73.43 C ATOM 1822 CG LEU A 114 3.321 8.564 1.746 1.00 40.13 C ATOM 1823 CD1 LEU A 114 4.712 9.047 1.362 1.00 53.20 C ATOM 1824 CD2 LEU A 114 3.065 7.180 1.188 1.00 43.01 C ATOM 0 H LEU A 114 3.205 8.799 5.716 1.00 23.22 H new ATOM 0 HA LEU A 114 4.290 10.346 3.717 1.00 75.54 H new ATOM 0 HB2 LEU A 114 3.884 7.874 3.694 1.00 73.43 H new ATOM 0 HB3 LEU A 114 2.166 8.167 3.506 1.00 73.43 H new ATOM 0 HG LEU A 114 2.591 9.251 1.318 1.00 40.13 H new ATOM 0 HD11 LEU A 114 4.812 9.042 0.277 1.00 53.20 H new ATOM 0 HD12 LEU A 114 4.861 10.060 1.736 1.00 53.20 H new ATOM 0 HD13 LEU A 114 5.460 8.385 1.798 1.00 53.20 H new ATOM 0 HD21 LEU A 114 3.187 7.196 0.105 1.00 43.01 H new ATOM 0 HD22 LEU A 114 3.774 6.476 1.623 1.00 43.01 H new ATOM 0 HD23 LEU A 114 2.049 6.871 1.434 1.00 43.01 H new ATOM 1836 N PRO A 115 0.997 10.899 3.852 1.00 4.31 N ATOM 1837 CA PRO A 115 -0.029 11.850 3.393 1.00 54.42 C ATOM 1838 C PRO A 115 0.474 13.296 3.318 1.00 24.21 C ATOM 1839 O PRO A 115 0.232 13.993 2.332 1.00 25.44 O ATOM 1840 CB PRO A 115 -1.158 11.735 4.438 1.00 64.44 C ATOM 1841 CG PRO A 115 -0.663 10.788 5.482 1.00 63.20 C ATOM 1842 CD PRO A 115 0.427 9.956 4.818 1.00 43.24 C ATOM 0 HA PRO A 115 -0.345 11.609 2.378 1.00 54.42 H new ATOM 0 HB2 PRO A 115 -1.387 12.708 4.872 1.00 64.44 H new ATOM 0 HB3 PRO A 115 -2.076 11.366 3.981 1.00 64.44 H new ATOM 0 HG2 PRO A 115 -0.270 11.329 6.343 1.00 63.20 H new ATOM 0 HG3 PRO A 115 -1.471 10.153 5.846 1.00 63.20 H new ATOM 0 HD2 PRO A 115 1.170 9.612 5.537 1.00 43.24 H new ATOM 0 HD3 PRO A 115 0.021 9.070 4.330 1.00 43.24 H new ATOM 1850 N THR A 116 1.184 13.743 4.349 1.00 54.33 N ATOM 1851 CA THR A 116 1.697 15.104 4.367 1.00 5.12 C ATOM 1852 C THR A 116 3.054 15.169 3.663 1.00 40.14 C ATOM 1853 O THR A 116 3.423 16.199 3.099 1.00 55.14 O ATOM 1854 CB THR A 116 1.812 15.661 5.811 1.00 63.43 C ATOM 1855 OG1 THR A 116 2.098 17.066 5.781 1.00 45.45 O ATOM 1856 CG2 THR A 116 2.894 14.944 6.605 1.00 35.31 C ATOM 0 H THR A 116 1.414 13.188 5.173 1.00 54.33 H new ATOM 0 HA THR A 116 0.984 15.730 3.830 1.00 5.12 H new ATOM 0 HB THR A 116 0.854 15.490 6.303 1.00 63.43 H new ATOM 0 HG1 THR A 116 2.167 17.406 6.698 1.00 45.45 H new ATOM 0 HG21 THR A 116 2.945 15.362 7.611 1.00 35.31 H new ATOM 0 HG22 THR A 116 2.658 13.882 6.665 1.00 35.31 H new ATOM 0 HG23 THR A 116 3.856 15.074 6.109 1.00 35.31 H new ATOM 1864 N ALA A 117 3.769 14.047 3.667 1.00 40.41 N ATOM 1865 CA ALA A 117 5.083 13.973 3.045 1.00 40.42 C ATOM 1866 C ALA A 117 4.991 14.216 1.543 1.00 44.20 C ATOM 1867 O ALA A 117 5.654 15.106 1.015 1.00 33.12 O ATOM 1868 CB ALA A 117 5.726 12.626 3.335 1.00 72.41 C ATOM 0 H ALA A 117 3.457 13.176 4.096 1.00 40.41 H new ATOM 0 HA ALA A 117 5.709 14.757 3.471 1.00 40.42 H new ATOM 0 HB1 ALA A 117 6.708 12.583 2.864 1.00 72.41 H new ATOM 0 HB2 ALA A 117 5.834 12.499 4.412 1.00 72.41 H new ATOM 0 HB3 ALA A 117 5.098 11.830 2.937 1.00 72.41 H new ATOM 1874 N VAL A 118 4.152 13.438 0.862 1.00 64.30 N ATOM 1875 CA VAL A 118 3.967 13.590 -0.581 1.00 71.23 C ATOM 1876 C VAL A 118 3.529 15.011 -0.914 1.00 63.42 C ATOM 1877 O VAL A 118 4.069 15.644 -1.824 1.00 31.34 O ATOM 1878 CB VAL A 118 2.920 12.597 -1.139 1.00 31.52 C ATOM 1879 CG1 VAL A 118 2.685 12.831 -2.625 1.00 64.12 C ATOM 1880 CG2 VAL A 118 3.358 11.162 -0.894 1.00 3.02 C ATOM 0 H VAL A 118 3.591 12.698 1.284 1.00 64.30 H new ATOM 0 HA VAL A 118 4.928 13.376 -1.048 1.00 71.23 H new ATOM 0 HB VAL A 118 1.981 12.769 -0.613 1.00 31.52 H new ATOM 0 HG11 VAL A 118 1.945 12.120 -2.993 1.00 64.12 H new ATOM 0 HG12 VAL A 118 2.321 13.847 -2.780 1.00 64.12 H new ATOM 0 HG13 VAL A 118 3.621 12.694 -3.167 1.00 64.12 H new ATOM 0 HG21 VAL A 118 2.608 10.479 -1.294 1.00 3.02 H new ATOM 0 HG22 VAL A 118 4.312 10.983 -1.389 1.00 3.02 H new ATOM 0 HG23 VAL A 118 3.468 10.993 0.177 1.00 3.02 H new ATOM 1890 N GLN A 119 2.564 15.507 -0.150 1.00 24.10 N ATOM 1891 CA GLN A 119 2.045 16.853 -0.339 1.00 51.34 C ATOM 1892 C GLN A 119 3.172 17.873 -0.243 1.00 14.32 C ATOM 1893 O GLN A 119 3.271 18.779 -1.065 1.00 72.34 O ATOM 1894 CB GLN A 119 0.978 17.158 0.711 1.00 70.54 C ATOM 1895 CG GLN A 119 0.192 18.427 0.433 1.00 64.25 C ATOM 1896 CD GLN A 119 -0.777 18.777 1.545 1.00 10.31 C ATOM 1897 OE1 GLN A 119 -1.861 19.304 1.296 1.00 44.04 O ATOM 1898 NE2 GLN A 119 -0.377 18.531 2.782 1.00 74.41 N ATOM 0 H GLN A 119 2.123 14.992 0.612 1.00 24.10 H new ATOM 0 HA GLN A 119 1.596 16.916 -1.330 1.00 51.34 H new ATOM 0 HB2 GLN A 119 0.286 16.318 0.767 1.00 70.54 H new ATOM 0 HB3 GLN A 119 1.456 17.244 1.687 1.00 70.54 H new ATOM 0 HG2 GLN A 119 0.887 19.255 0.290 1.00 64.25 H new ATOM 0 HG3 GLN A 119 -0.360 18.309 -0.499 1.00 64.25 H new ATOM 0 HE21 GLN A 119 0.529 18.092 2.947 1.00 74.41 H new ATOM 0 HE22 GLN A 119 -0.975 18.780 3.570 1.00 74.41 H new ATOM 1907 N ALA A 120 4.034 17.695 0.752 1.00 50.43 N ATOM 1908 CA ALA A 120 5.142 18.608 0.981 1.00 3.41 C ATOM 1909 C ALA A 120 6.186 18.506 -0.126 1.00 51.35 C ATOM 1910 O ALA A 120 6.583 19.512 -0.704 1.00 25.32 O ATOM 1911 CB ALA A 120 5.779 18.337 2.335 1.00 45.14 C ATOM 0 H ALA A 120 3.984 16.921 1.415 1.00 50.43 H new ATOM 0 HA ALA A 120 4.745 19.623 0.973 1.00 3.41 H new ATOM 0 HB1 ALA A 120 6.607 19.028 2.492 1.00 45.14 H new ATOM 0 HB2 ALA A 120 5.036 18.475 3.121 1.00 45.14 H new ATOM 0 HB3 ALA A 120 6.151 17.313 2.364 1.00 45.14 H new ATOM 1917 N PHE A 121 6.607 17.284 -0.434 1.00 4.14 N ATOM 1918 CA PHE A 121 7.677 17.058 -1.406 1.00 5.45 C ATOM 1919 C PHE A 121 7.342 17.628 -2.781 1.00 51.24 C ATOM 1920 O PHE A 121 8.233 18.081 -3.499 1.00 40.11 O ATOM 1921 CB PHE A 121 7.990 15.565 -1.533 1.00 24.01 C ATOM 1922 CG PHE A 121 8.617 14.962 -0.306 1.00 24.04 C ATOM 1923 CD1 PHE A 121 9.588 15.655 0.401 1.00 12.32 C ATOM 1924 CD2 PHE A 121 8.240 13.705 0.138 1.00 61.13 C ATOM 1925 CE1 PHE A 121 10.168 15.105 1.528 1.00 4.31 C ATOM 1926 CE2 PHE A 121 8.819 13.151 1.264 1.00 1.11 C ATOM 1927 CZ PHE A 121 9.782 13.851 1.959 1.00 41.02 C ATOM 0 H PHE A 121 6.224 16.432 -0.025 1.00 4.14 H new ATOM 0 HA PHE A 121 8.555 17.584 -1.030 1.00 5.45 H new ATOM 0 HB2 PHE A 121 7.068 15.029 -1.757 1.00 24.01 H new ATOM 0 HB3 PHE A 121 8.659 15.416 -2.380 1.00 24.01 H new ATOM 0 HD1 PHE A 121 9.894 16.635 0.067 1.00 12.32 H new ATOM 0 HD2 PHE A 121 7.485 13.152 -0.402 1.00 61.13 H new ATOM 0 HE1 PHE A 121 10.922 15.655 2.071 1.00 4.31 H new ATOM 0 HE2 PHE A 121 8.517 12.170 1.599 1.00 1.11 H new ATOM 0 HZ PHE A 121 10.234 13.419 2.840 1.00 41.02 H new ATOM 1937 N ARG A 122 6.064 17.621 -3.148 1.00 14.32 N ATOM 1938 CA ARG A 122 5.671 18.056 -4.484 1.00 63.01 C ATOM 1939 C ARG A 122 5.420 19.565 -4.561 1.00 32.12 C ATOM 1940 O ARG A 122 5.026 20.075 -5.607 1.00 54.43 O ATOM 1941 CB ARG A 122 4.441 17.282 -4.970 1.00 22.15 C ATOM 1942 CG ARG A 122 3.174 17.527 -4.167 1.00 44.42 C ATOM 1943 CD ARG A 122 2.030 16.680 -4.701 1.00 50.01 C ATOM 1944 NE ARG A 122 0.769 16.906 -3.994 1.00 55.11 N ATOM 1945 CZ ARG A 122 -0.366 16.280 -4.310 1.00 34.03 C ATOM 1946 NH1 ARG A 122 -0.382 15.397 -5.297 1.00 20.23 N ATOM 1947 NH2 ARG A 122 -1.487 16.532 -3.640 1.00 31.31 N ATOM 0 H ARG A 122 5.293 17.324 -2.550 1.00 14.32 H new ATOM 0 HA ARG A 122 6.510 17.837 -5.144 1.00 63.01 H new ATOM 0 HB2 ARG A 122 4.251 17.546 -6.010 1.00 22.15 H new ATOM 0 HB3 ARG A 122 4.668 16.216 -4.948 1.00 22.15 H new ATOM 0 HG2 ARG A 122 3.350 17.290 -3.118 1.00 44.42 H new ATOM 0 HG3 ARG A 122 2.905 18.582 -4.214 1.00 44.42 H new ATOM 0 HD2 ARG A 122 1.890 16.896 -5.760 1.00 50.01 H new ATOM 0 HD3 ARG A 122 2.299 15.627 -4.624 1.00 50.01 H new ATOM 0 HE ARG A 122 0.757 17.574 -3.223 1.00 55.11 H new ATOM 0 HH11 ARG A 122 0.473 15.196 -5.815 1.00 20.23 H new ATOM 0 HH12 ARG A 122 -1.250 14.918 -5.539 1.00 20.23 H new ATOM 0 HH21 ARG A 122 -1.484 17.209 -2.877 1.00 31.31 H new ATOM 0 HH22 ARG A 122 -2.350 16.048 -3.889 1.00 31.31 H new ATOM 1961 N ARG A 123 5.638 20.282 -3.460 1.00 21.55 N ATOM 1962 CA ARG A 123 5.553 21.742 -3.494 1.00 44.54 C ATOM 1963 C ARG A 123 6.738 22.399 -2.789 1.00 12.14 C ATOM 1964 O ARG A 123 6.913 23.612 -2.876 1.00 30.32 O ATOM 1965 CB ARG A 123 4.214 22.250 -2.925 1.00 10.12 C ATOM 1966 CG ARG A 123 3.795 21.672 -1.573 1.00 50.22 C ATOM 1967 CD ARG A 123 4.557 22.278 -0.403 1.00 31.32 C ATOM 1968 NE ARG A 123 3.904 21.975 0.872 1.00 42.13 N ATOM 1969 CZ ARG A 123 4.526 21.922 2.050 1.00 74.11 C ATOM 1970 NH1 ARG A 123 5.835 22.108 2.137 1.00 35.14 N ATOM 1971 NH2 ARG A 123 3.829 21.675 3.145 1.00 43.03 N ATOM 0 H ARG A 123 5.871 19.886 -2.549 1.00 21.55 H new ATOM 0 HA ARG A 123 5.596 22.035 -4.543 1.00 44.54 H new ATOM 0 HB2 ARG A 123 4.270 23.335 -2.832 1.00 10.12 H new ATOM 0 HB3 ARG A 123 3.429 22.033 -3.649 1.00 10.12 H new ATOM 0 HG2 ARG A 123 2.727 21.838 -1.429 1.00 50.22 H new ATOM 0 HG3 ARG A 123 3.952 20.593 -1.581 1.00 50.22 H new ATOM 0 HD2 ARG A 123 5.577 21.893 -0.392 1.00 31.32 H new ATOM 0 HD3 ARG A 123 4.625 23.358 -0.531 1.00 31.32 H new ATOM 0 HE ARG A 123 2.901 21.791 0.858 1.00 42.13 H new ATOM 0 HH11 ARG A 123 6.381 22.295 1.296 1.00 35.14 H new ATOM 0 HH12 ARG A 123 6.297 22.065 3.045 1.00 35.14 H new ATOM 0 HH21 ARG A 123 2.822 21.526 3.086 1.00 43.03 H new ATOM 0 HH22 ARG A 123 4.298 21.633 4.050 1.00 43.03 H new ATOM 1985 N ARG A 124 7.549 21.583 -2.119 1.00 63.32 N ATOM 1986 CA ARG A 124 8.739 22.048 -1.407 1.00 64.22 C ATOM 1987 C ARG A 124 8.381 23.119 -0.380 1.00 74.54 C ATOM 1988 O ARG A 124 7.916 22.750 0.715 1.00 34.40 O ATOM 1989 CB ARG A 124 9.801 22.576 -2.378 1.00 61.54 C ATOM 1990 CG ARG A 124 10.257 21.555 -3.414 1.00 53.34 C ATOM 1991 CD ARG A 124 10.693 20.246 -2.771 1.00 10.50 C ATOM 1992 NE ARG A 124 11.764 20.432 -1.794 1.00 0.34 N ATOM 1993 CZ ARG A 124 12.379 19.432 -1.160 1.00 52.02 C ATOM 1994 NH1 ARG A 124 12.083 18.169 -1.446 1.00 60.51 N ATOM 1995 NH2 ARG A 124 13.307 19.701 -0.253 1.00 53.12 N ATOM 0 H ARG A 124 7.399 20.576 -2.054 1.00 63.32 H new ATOM 0 HA ARG A 124 9.157 21.190 -0.880 1.00 64.22 H new ATOM 0 HB2 ARG A 124 9.404 23.450 -2.895 1.00 61.54 H new ATOM 0 HB3 ARG A 124 10.667 22.910 -1.807 1.00 61.54 H new ATOM 0 HG2 ARG A 124 9.445 21.362 -4.115 1.00 53.34 H new ATOM 0 HG3 ARG A 124 11.084 21.969 -3.991 1.00 53.34 H new ATOM 0 HD2 ARG A 124 9.836 19.782 -2.282 1.00 10.50 H new ATOM 0 HD3 ARG A 124 11.029 19.558 -3.547 1.00 10.50 H new ATOM 0 HE ARG A 124 12.060 21.385 -1.584 1.00 0.34 H new ATOM 0 HH11 ARG A 124 11.381 17.958 -2.155 1.00 60.51 H new ATOM 0 HH12 ARG A 124 12.558 17.410 -0.957 1.00 60.51 H new ATOM 0 HH21 ARG A 124 13.548 20.669 -0.042 1.00 53.12 H new ATOM 0 HH22 ARG A 124 13.780 18.940 0.234 1.00 53.12 H new TER 2009 ARG A 124