USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1029 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 35 SER OG : rot 180:sc= -0.066 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -0.636 F(o=-1.9,f=-0.7) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 166:sc= 0.141 (180deg=0) USER MOD Set 2.2: A 124 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 3 MET CE :methyl 172:sc= -3.39 (180deg=-3.89) USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00015 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -120:sc= -1.97 USER MOD Single : A 27 THR OG1 : rot 180:sc=6.88e-05 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -1.66 F(o=-3.4!,f=-1.7) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -138:sc= -0.536 (180deg=-3.55!) USER MOD Single : A 53 GLN : amide:sc= -0.0552 K(o=-0.055,f=-1) USER MOD Single : A 63 MET CE :methyl -134:sc= -1.76 (180deg=-4.02!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 86 THR OG1 : rot 75:sc= 0.884 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.0072) USER MOD Single : A 95 THR OG1 : rot 74:sc= 0.424 USER MOD Single : A 102 ASN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.23) USER MOD Single : A 131 THR OG1 : rot -20:sc= 0.331 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N VAL A 2 4.197 2.953 0.448 1.00 3.03 N ATOM 19 CA VAL A 2 4.064 4.383 0.195 1.00 34.41 C ATOM 20 C VAL A 2 3.339 5.078 1.342 1.00 42.40 C ATOM 21 O VAL A 2 2.509 4.476 2.022 1.00 70.35 O ATOM 22 CB VAL A 2 3.303 4.652 -1.117 1.00 35.43 C ATOM 23 CG1 VAL A 2 4.183 4.343 -2.318 1.00 31.40 C ATOM 24 CG2 VAL A 2 2.018 3.838 -1.163 1.00 60.13 C ATOM 0 HA VAL A 2 5.073 4.785 0.110 1.00 34.41 H new ATOM 0 HB VAL A 2 3.039 5.709 -1.154 1.00 35.43 H new ATOM 0 HG11 VAL A 2 3.628 4.539 -3.236 1.00 31.40 H new ATOM 0 HG12 VAL A 2 5.072 4.973 -2.290 1.00 31.40 H new ATOM 0 HG13 VAL A 2 4.481 3.295 -2.291 1.00 31.40 H new ATOM 0 HG21 VAL A 2 1.493 4.040 -2.096 1.00 60.13 H new ATOM 0 HG22 VAL A 2 2.258 2.776 -1.104 1.00 60.13 H new ATOM 0 HG23 VAL A 2 1.382 4.114 -0.322 1.00 60.13 H new ATOM 34 N MET A 3 3.659 6.351 1.551 1.00 2.31 N ATOM 35 CA MET A 3 3.037 7.130 2.615 1.00 1.34 C ATOM 36 C MET A 3 1.878 7.962 2.074 1.00 22.44 C ATOM 37 O MET A 3 1.661 8.030 0.864 1.00 31.01 O ATOM 38 CB MET A 3 4.070 8.044 3.278 1.00 13.12 C ATOM 39 CG MET A 3 4.846 8.900 2.291 1.00 41.31 C ATOM 40 SD MET A 3 5.357 10.481 2.993 1.00 34.53 S ATOM 41 CE MET A 3 3.783 11.331 3.093 1.00 63.20 C ATOM 0 H MET A 3 4.345 6.865 0.998 1.00 2.31 H new ATOM 0 HA MET A 3 2.646 6.435 3.359 1.00 1.34 H new ATOM 0 HB2 MET A 3 3.563 8.695 3.991 1.00 13.12 H new ATOM 0 HB3 MET A 3 4.771 7.433 3.847 1.00 13.12 H new ATOM 0 HG2 MET A 3 5.728 8.353 1.957 1.00 41.31 H new ATOM 0 HG3 MET A 3 4.230 9.080 1.410 1.00 41.31 H new ATOM 0 HE1 MET A 3 3.909 12.267 3.637 1.00 63.20 H new ATOM 0 HE2 MET A 3 3.419 11.542 2.088 1.00 63.20 H new ATOM 0 HE3 MET A 3 3.062 10.702 3.615 1.00 63.20 H new ATOM 51 N THR A 4 1.135 8.593 2.979 1.00 64.44 N ATOM 52 CA THR A 4 -0.002 9.418 2.592 1.00 20.11 C ATOM 53 C THR A 4 -0.167 10.603 3.536 1.00 15.04 C ATOM 54 O THR A 4 -0.700 10.463 4.637 1.00 33.14 O ATOM 55 CB THR A 4 -1.308 8.602 2.577 1.00 55.14 C ATOM 56 OG1 THR A 4 -1.160 7.455 1.733 1.00 63.13 O ATOM 57 CG2 THR A 4 -2.471 9.452 2.086 1.00 71.41 C ATOM 0 H THR A 4 1.301 8.548 3.984 1.00 64.44 H new ATOM 0 HA THR A 4 0.200 9.784 1.586 1.00 20.11 H new ATOM 0 HB THR A 4 -1.519 8.278 3.596 1.00 55.14 H new ATOM 0 HG1 THR A 4 -1.994 6.941 1.730 1.00 63.13 H new ATOM 0 HG21 THR A 4 -3.383 8.855 2.084 1.00 71.41 H new ATOM 0 HG22 THR A 4 -2.600 10.309 2.747 1.00 71.41 H new ATOM 0 HG23 THR A 4 -2.264 9.802 1.075 1.00 71.41 H new ATOM 65 N VAL A 5 0.292 11.771 3.099 1.00 50.21 N ATOM 66 CA VAL A 5 0.193 12.982 3.905 1.00 40.01 C ATOM 67 C VAL A 5 -0.981 13.845 3.458 1.00 52.42 C ATOM 68 O VAL A 5 -0.971 14.405 2.361 1.00 11.23 O ATOM 69 CB VAL A 5 1.487 13.815 3.828 1.00 34.54 C ATOM 70 CG1 VAL A 5 1.877 14.063 2.379 1.00 20.14 C ATOM 71 CG2 VAL A 5 1.319 15.128 4.577 1.00 43.32 C ATOM 0 H VAL A 5 0.736 11.904 2.191 1.00 50.21 H new ATOM 0 HA VAL A 5 0.035 12.664 4.936 1.00 40.01 H new ATOM 0 HB VAL A 5 2.291 13.252 4.303 1.00 34.54 H new ATOM 0 HG11 VAL A 5 2.793 14.653 2.345 1.00 20.14 H new ATOM 0 HG12 VAL A 5 2.041 13.109 1.878 1.00 20.14 H new ATOM 0 HG13 VAL A 5 1.077 14.605 1.875 1.00 20.14 H new ATOM 0 HG21 VAL A 5 2.242 15.704 4.513 1.00 43.32 H new ATOM 0 HG22 VAL A 5 0.503 15.699 4.133 1.00 43.32 H new ATOM 0 HG23 VAL A 5 1.091 14.924 5.623 1.00 43.32 H new ATOM 81 N ARG A 6 -1.992 13.949 4.314 1.00 11.43 N ATOM 82 CA ARG A 6 -3.175 14.744 4.007 1.00 1.42 C ATOM 83 C ARG A 6 -3.115 16.100 4.705 1.00 42.22 C ATOM 84 O ARG A 6 -2.649 16.206 5.840 1.00 55.34 O ATOM 85 CB ARG A 6 -4.441 13.997 4.429 1.00 14.45 C ATOM 86 CG ARG A 6 -4.671 13.989 5.932 1.00 72.01 C ATOM 87 CD ARG A 6 -5.277 12.673 6.395 1.00 2.45 C ATOM 88 NE ARG A 6 -6.730 12.753 6.518 1.00 21.15 N ATOM 89 CZ ARG A 6 -7.502 11.709 6.800 1.00 42.20 C ATOM 90 NH1 ARG A 6 -6.962 10.513 6.987 1.00 72.40 N ATOM 91 NH2 ARG A 6 -8.817 11.861 6.895 1.00 5.34 N ATOM 0 H ARG A 6 -2.016 13.493 5.226 1.00 11.43 H new ATOM 0 HA ARG A 6 -3.201 14.910 2.930 1.00 1.42 H new ATOM 0 HB2 ARG A 6 -5.302 14.454 3.941 1.00 14.45 H new ATOM 0 HB3 ARG A 6 -4.381 12.968 4.074 1.00 14.45 H new ATOM 0 HG2 ARG A 6 -3.725 14.157 6.447 1.00 72.01 H new ATOM 0 HG3 ARG A 6 -5.332 14.811 6.205 1.00 72.01 H new ATOM 0 HD2 ARG A 6 -5.016 11.885 5.688 1.00 2.45 H new ATOM 0 HD3 ARG A 6 -4.847 12.394 7.357 1.00 2.45 H new ATOM 0 HE ARG A 6 -7.176 13.660 6.380 1.00 21.15 H new ATOM 0 HH11 ARG A 6 -5.952 10.393 6.915 1.00 72.40 H new ATOM 0 HH12 ARG A 6 -7.557 9.713 7.203 1.00 72.40 H new ATOM 0 HH21 ARG A 6 -9.236 12.780 6.751 1.00 5.34 H new ATOM 0 HH22 ARG A 6 -9.409 11.059 7.112 1.00 5.34 H new ATOM 105 N VAL A 7 -3.588 17.135 4.018 1.00 53.02 N ATOM 106 CA VAL A 7 -3.589 18.484 4.571 1.00 71.01 C ATOM 107 C VAL A 7 -4.957 18.843 5.141 1.00 44.40 C ATOM 108 O VAL A 7 -5.990 18.504 4.563 1.00 23.12 O ATOM 109 CB VAL A 7 -3.198 19.527 3.507 1.00 13.12 C ATOM 110 CG1 VAL A 7 -3.195 20.925 4.106 1.00 3.31 C ATOM 111 CG2 VAL A 7 -1.842 19.192 2.906 1.00 4.03 C ATOM 0 H VAL A 7 -3.976 17.065 3.077 1.00 53.02 H new ATOM 0 HA VAL A 7 -2.850 18.499 5.372 1.00 71.01 H new ATOM 0 HB VAL A 7 -3.939 19.502 2.708 1.00 13.12 H new ATOM 0 HG11 VAL A 7 -2.917 21.649 3.340 1.00 3.31 H new ATOM 0 HG12 VAL A 7 -4.190 21.161 4.484 1.00 3.31 H new ATOM 0 HG13 VAL A 7 -2.476 20.969 4.924 1.00 3.31 H new ATOM 0 HG21 VAL A 7 -1.582 19.939 2.156 1.00 4.03 H new ATOM 0 HG22 VAL A 7 -1.087 19.188 3.692 1.00 4.03 H new ATOM 0 HG23 VAL A 7 -1.884 18.208 2.438 1.00 4.03 H new ATOM 121 N ILE A 8 -4.955 19.532 6.277 1.00 14.31 N ATOM 122 CA ILE A 8 -6.196 19.939 6.924 1.00 13.35 C ATOM 123 C ILE A 8 -6.054 21.313 7.572 1.00 60.33 C ATOM 124 O ILE A 8 -5.017 21.632 8.151 1.00 4.43 O ATOM 125 CB ILE A 8 -6.632 18.922 7.996 1.00 54.24 C ATOM 126 CG1 ILE A 8 -6.825 17.540 7.369 1.00 64.40 C ATOM 127 CG2 ILE A 8 -7.913 19.385 8.675 1.00 62.51 C ATOM 128 CD1 ILE A 8 -7.093 16.449 8.382 1.00 21.02 C ATOM 0 H ILE A 8 -4.109 19.820 6.768 1.00 14.31 H new ATOM 0 HA ILE A 8 -6.957 19.984 6.145 1.00 13.35 H new ATOM 0 HB ILE A 8 -5.848 18.852 8.751 1.00 54.24 H new ATOM 0 HG12 ILE A 8 -7.656 17.582 6.664 1.00 64.40 H new ATOM 0 HG13 ILE A 8 -5.934 17.282 6.796 1.00 64.40 H new ATOM 0 HG21 ILE A 8 -8.209 18.656 9.430 1.00 62.51 H new ATOM 0 HG22 ILE A 8 -7.744 20.351 9.150 1.00 62.51 H new ATOM 0 HG23 ILE A 8 -8.705 19.479 7.932 1.00 62.51 H new ATOM 0 HD11 ILE A 8 -7.220 15.497 7.867 1.00 21.02 H new ATOM 0 HD12 ILE A 8 -6.252 16.379 9.072 1.00 21.02 H new ATOM 0 HD13 ILE A 8 -8.001 16.684 8.938 1.00 21.02 H new ATOM 140 N ALA A 9 -7.104 22.120 7.470 1.00 55.40 N ATOM 141 CA ALA A 9 -7.098 23.458 8.049 1.00 53.23 C ATOM 142 C ALA A 9 -8.016 23.535 9.264 1.00 72.20 C ATOM 143 O ALA A 9 -8.899 22.699 9.459 1.00 24.32 O ATOM 144 CB ALA A 9 -7.513 24.486 7.006 1.00 4.12 C ATOM 0 H ALA A 9 -7.970 21.871 6.992 1.00 55.40 H new ATOM 0 HA ALA A 9 -6.083 23.680 8.379 1.00 53.23 H new ATOM 0 HB1 ALA A 9 -7.504 25.481 7.452 1.00 4.12 H new ATOM 0 HB2 ALA A 9 -6.815 24.457 6.169 1.00 4.12 H new ATOM 0 HB3 ALA A 9 -8.517 24.257 6.649 1.00 4.12 H new ATOM 150 N PRO A 10 -7.805 24.561 10.102 1.00 33.41 N ATOM 151 CA PRO A 10 -8.604 24.770 11.313 1.00 11.32 C ATOM 152 C PRO A 10 -10.035 25.194 10.998 1.00 5.30 C ATOM 153 O PRO A 10 -10.879 25.275 11.890 1.00 31.41 O ATOM 154 CB PRO A 10 -7.860 25.895 12.038 1.00 35.22 C ATOM 155 CG PRO A 10 -7.139 26.628 10.961 1.00 63.13 C ATOM 156 CD PRO A 10 -6.771 25.595 9.932 1.00 72.14 C ATOM 0 HA PRO A 10 -8.701 23.857 11.900 1.00 11.32 H new ATOM 0 HB2 PRO A 10 -8.552 26.550 12.568 1.00 35.22 H new ATOM 0 HB3 PRO A 10 -7.166 25.498 12.779 1.00 35.22 H new ATOM 0 HG2 PRO A 10 -7.770 27.404 10.527 1.00 63.13 H new ATOM 0 HG3 PRO A 10 -6.250 27.122 11.353 1.00 63.13 H new ATOM 0 HD2 PRO A 10 -6.780 26.011 8.924 1.00 72.14 H new ATOM 0 HD3 PRO A 10 -5.771 25.196 10.103 1.00 72.14 H new ATOM 164 N ASP A 11 -10.300 25.464 9.725 1.00 45.24 N ATOM 165 CA ASP A 11 -11.629 25.879 9.291 1.00 20.45 C ATOM 166 C ASP A 11 -12.246 24.839 8.361 1.00 31.02 C ATOM 167 O ASP A 11 -13.453 24.845 8.119 1.00 13.12 O ATOM 168 CB ASP A 11 -11.560 27.234 8.587 1.00 45.41 C ATOM 169 CG ASP A 11 -12.748 28.117 8.912 1.00 53.32 C ATOM 170 OD1 ASP A 11 -12.684 28.853 9.919 1.00 4.20 O ATOM 171 OD2 ASP A 11 -13.743 28.073 8.158 1.00 11.15 O ATOM 0 H ASP A 11 -9.612 25.403 8.975 1.00 45.24 H new ATOM 0 HA ASP A 11 -12.260 25.970 10.175 1.00 20.45 H new ATOM 0 HB2 ASP A 11 -10.642 27.744 8.877 1.00 45.41 H new ATOM 0 HB3 ASP A 11 -11.511 27.078 7.509 1.00 45.41 H new ATOM 176 N LYS A 12 -11.410 23.947 7.841 1.00 4.21 N ATOM 177 CA LYS A 12 -11.871 22.900 6.937 1.00 15.52 C ATOM 178 C LYS A 12 -10.699 22.078 6.413 1.00 42.02 C ATOM 179 O LYS A 12 -9.579 22.577 6.298 1.00 25.35 O ATOM 180 CB LYS A 12 -12.643 23.513 5.766 1.00 43.20 C ATOM 181 CG LYS A 12 -11.987 24.756 5.190 1.00 42.04 C ATOM 182 CD LYS A 12 -11.931 24.704 3.672 1.00 52.30 C ATOM 183 CE LYS A 12 -10.901 23.696 3.186 1.00 74.00 C ATOM 184 NZ LYS A 12 -9.644 24.358 2.742 1.00 44.02 N ATOM 0 H LYS A 12 -10.408 23.928 8.031 1.00 4.21 H new ATOM 0 HA LYS A 12 -12.534 22.239 7.495 1.00 15.52 H new ATOM 0 HB2 LYS A 12 -12.744 22.767 4.978 1.00 43.20 H new ATOM 0 HB3 LYS A 12 -13.650 23.764 6.098 1.00 43.20 H new ATOM 0 HG2 LYS A 12 -12.541 25.640 5.505 1.00 42.04 H new ATOM 0 HG3 LYS A 12 -10.977 24.854 5.589 1.00 42.04 H new ATOM 0 HD2 LYS A 12 -12.913 24.440 3.280 1.00 52.30 H new ATOM 0 HD3 LYS A 12 -11.687 25.692 3.282 1.00 52.30 H new ATOM 0 HE2 LYS A 12 -10.677 22.991 3.987 1.00 74.00 H new ATOM 0 HE3 LYS A 12 -11.319 23.119 2.361 1.00 74.00 H new ATOM 0 HZ1 LYS A 12 -8.892 23.646 2.645 1.00 44.02 H new ATOM 0 HZ2 LYS A 12 -9.802 24.823 1.825 1.00 44.02 H new ATOM 0 HZ3 LYS A 12 -9.359 25.069 3.446 1.00 44.02 H new ATOM 198 N THR A 13 -10.963 20.815 6.093 1.00 34.15 N ATOM 199 CA THR A 13 -9.930 19.924 5.581 1.00 75.32 C ATOM 200 C THR A 13 -9.624 20.222 4.118 1.00 60.54 C ATOM 201 O THR A 13 -10.450 20.790 3.403 1.00 22.10 O ATOM 202 CB THR A 13 -10.345 18.446 5.716 1.00 12.43 C ATOM 203 OG1 THR A 13 -11.471 18.175 4.875 1.00 74.42 O ATOM 204 CG2 THR A 13 -10.691 18.112 7.159 1.00 34.33 C ATOM 0 H THR A 13 -11.884 20.386 6.180 1.00 34.15 H new ATOM 0 HA THR A 13 -9.036 20.099 6.180 1.00 75.32 H new ATOM 0 HB THR A 13 -9.504 17.825 5.407 1.00 12.43 H new ATOM 0 HG1 THR A 13 -11.728 17.233 4.965 1.00 74.42 H new ATOM 0 HG21 THR A 13 -10.981 17.064 7.230 1.00 34.33 H new ATOM 0 HG22 THR A 13 -9.822 18.292 7.792 1.00 34.33 H new ATOM 0 HG23 THR A 13 -11.518 18.740 7.490 1.00 34.33 H new ATOM 212 N VAL A 14 -8.431 19.834 3.677 1.00 75.54 N ATOM 213 CA VAL A 14 -8.017 20.058 2.297 1.00 64.51 C ATOM 214 C VAL A 14 -8.181 18.793 1.461 1.00 13.03 C ATOM 215 O VAL A 14 -9.103 18.688 0.652 1.00 63.50 O ATOM 216 CB VAL A 14 -6.550 20.523 2.220 1.00 33.03 C ATOM 217 CG1 VAL A 14 -6.123 20.707 0.772 1.00 32.40 C ATOM 218 CG2 VAL A 14 -6.358 21.810 3.009 1.00 74.34 C ATOM 0 H VAL A 14 -7.735 19.363 4.255 1.00 75.54 H new ATOM 0 HA VAL A 14 -8.661 20.841 1.897 1.00 64.51 H new ATOM 0 HB VAL A 14 -5.919 19.753 2.664 1.00 33.03 H new ATOM 0 HG11 VAL A 14 -5.084 21.036 0.738 1.00 32.40 H new ATOM 0 HG12 VAL A 14 -6.222 19.761 0.240 1.00 32.40 H new ATOM 0 HG13 VAL A 14 -6.756 21.457 0.298 1.00 32.40 H new ATOM 0 HG21 VAL A 14 -5.316 22.125 2.944 1.00 74.34 H new ATOM 0 HG22 VAL A 14 -6.999 22.589 2.596 1.00 74.34 H new ATOM 0 HG23 VAL A 14 -6.621 21.640 4.053 1.00 74.34 H new ATOM 228 N TRP A 15 -7.283 17.836 1.663 1.00 2.24 N ATOM 229 CA TRP A 15 -7.329 16.577 0.928 1.00 2.34 C ATOM 230 C TRP A 15 -6.166 15.674 1.323 1.00 21.42 C ATOM 231 O TRP A 15 -5.409 15.987 2.242 1.00 23.20 O ATOM 232 CB TRP A 15 -7.297 16.841 -0.578 1.00 32.01 C ATOM 233 CG TRP A 15 -8.609 16.580 -1.254 1.00 70.02 C ATOM 234 CD1 TRP A 15 -9.237 17.383 -2.163 1.00 2.31 C ATOM 235 CD2 TRP A 15 -9.454 15.438 -1.074 1.00 10.43 C ATOM 236 NE1 TRP A 15 -10.421 16.810 -2.558 1.00 73.21 N ATOM 237 CE2 TRP A 15 -10.577 15.616 -1.905 1.00 72.21 C ATOM 238 CE3 TRP A 15 -9.370 14.283 -0.292 1.00 74.25 C ATOM 239 CZ2 TRP A 15 -11.607 14.681 -1.974 1.00 43.05 C ATOM 240 CZ3 TRP A 15 -10.393 13.356 -0.362 1.00 51.12 C ATOM 241 CH2 TRP A 15 -11.499 13.559 -1.199 1.00 21.03 C ATOM 0 H TRP A 15 -6.514 17.907 2.329 1.00 2.24 H new ATOM 0 HA TRP A 15 -8.260 16.070 1.181 1.00 2.34 H new ATOM 0 HB2 TRP A 15 -7.006 17.877 -0.752 1.00 32.01 H new ATOM 0 HB3 TRP A 15 -6.530 16.214 -1.033 1.00 32.01 H new ATOM 0 HD1 TRP A 15 -8.858 18.330 -2.519 1.00 2.31 H new ATOM 0 HE1 TRP A 15 -11.078 17.209 -3.229 1.00 73.21 H new ATOM 0 HE3 TRP A 15 -8.521 14.118 0.355 1.00 74.25 H new ATOM 0 HZ2 TRP A 15 -12.461 14.836 -2.617 1.00 43.05 H new ATOM 0 HZ3 TRP A 15 -10.339 12.460 0.238 1.00 51.12 H new ATOM 0 HH2 TRP A 15 -12.281 12.815 -1.233 1.00 21.03 H new ATOM 252 N ASP A 16 -6.030 14.552 0.624 1.00 42.41 N ATOM 253 CA ASP A 16 -4.957 13.604 0.901 1.00 35.22 C ATOM 254 C ASP A 16 -3.896 13.648 -0.194 1.00 10.24 C ATOM 255 O ASP A 16 -4.212 13.587 -1.381 1.00 53.13 O ATOM 256 CB ASP A 16 -5.520 12.187 1.026 1.00 54.13 C ATOM 257 CG ASP A 16 -6.049 11.894 2.416 1.00 4.23 C ATOM 258 OD1 ASP A 16 -6.822 12.721 2.944 1.00 4.22 O ATOM 259 OD2 ASP A 16 -5.690 10.838 2.976 1.00 23.43 O ATOM 0 H ASP A 16 -6.649 14.277 -0.138 1.00 42.41 H new ATOM 0 HA ASP A 16 -4.491 13.887 1.845 1.00 35.22 H new ATOM 0 HB2 ASP A 16 -6.322 12.052 0.300 1.00 54.13 H new ATOM 0 HB3 ASP A 16 -4.741 11.466 0.778 1.00 54.13 H new ATOM 264 N ALA A 17 -2.636 13.756 0.215 1.00 50.20 N ATOM 265 CA ALA A 17 -1.528 13.808 -0.731 1.00 31.03 C ATOM 266 C ALA A 17 -0.706 12.525 -0.684 1.00 23.42 C ATOM 267 O ALA A 17 0.342 12.453 -0.042 1.00 2.45 O ATOM 268 CB ALA A 17 -0.645 15.014 -0.444 1.00 33.41 C ATOM 0 H ALA A 17 -2.357 13.809 1.195 1.00 50.20 H new ATOM 0 HA ALA A 17 -1.943 13.906 -1.734 1.00 31.03 H new ATOM 0 HB1 ALA A 17 0.178 15.040 -1.158 1.00 33.41 H new ATOM 0 HB2 ALA A 17 -1.234 15.926 -0.536 1.00 33.41 H new ATOM 0 HB3 ALA A 17 -0.246 14.940 0.568 1.00 33.41 H new ATOM 274 N PRO A 18 -1.190 11.485 -1.379 1.00 60.11 N ATOM 275 CA PRO A 18 -0.515 10.185 -1.432 1.00 61.30 C ATOM 276 C PRO A 18 0.784 10.238 -2.228 1.00 43.15 C ATOM 277 O PRO A 18 0.878 10.941 -3.234 1.00 5.41 O ATOM 278 CB PRO A 18 -1.535 9.284 -2.133 1.00 21.34 C ATOM 279 CG PRO A 18 -2.366 10.214 -2.947 1.00 12.14 C ATOM 280 CD PRO A 18 -2.434 11.499 -2.168 1.00 24.54 C ATOM 0 HA PRO A 18 -0.227 9.835 -0.441 1.00 61.30 H new ATOM 0 HB2 PRO A 18 -1.042 8.542 -2.760 1.00 21.34 H new ATOM 0 HB3 PRO A 18 -2.143 8.738 -1.411 1.00 21.34 H new ATOM 0 HG2 PRO A 18 -1.922 10.376 -3.929 1.00 12.14 H new ATOM 0 HG3 PRO A 18 -3.363 9.804 -3.112 1.00 12.14 H new ATOM 0 HD2 PRO A 18 -2.483 12.366 -2.827 1.00 24.54 H new ATOM 0 HD3 PRO A 18 -3.316 11.535 -1.528 1.00 24.54 H new ATOM 288 N ALA A 19 1.784 9.490 -1.773 1.00 34.04 N ATOM 289 CA ALA A 19 3.077 9.451 -2.444 1.00 74.45 C ATOM 290 C ALA A 19 4.030 8.489 -1.744 1.00 3.03 C ATOM 291 O ALA A 19 3.684 7.888 -0.728 1.00 33.24 O ATOM 292 CB ALA A 19 3.682 10.845 -2.507 1.00 14.21 C ATOM 0 H ALA A 19 1.723 8.902 -0.942 1.00 34.04 H new ATOM 0 HA ALA A 19 2.920 9.090 -3.460 1.00 74.45 H new ATOM 0 HB1 ALA A 19 4.648 10.800 -3.011 1.00 14.21 H new ATOM 0 HB2 ALA A 19 3.015 11.507 -3.059 1.00 14.21 H new ATOM 0 HB3 ALA A 19 3.818 11.229 -1.496 1.00 14.21 H new ATOM 298 N GLU A 20 5.232 8.349 -2.294 1.00 63.32 N ATOM 299 CA GLU A 20 6.235 7.458 -1.721 1.00 52.23 C ATOM 300 C GLU A 20 6.925 8.112 -0.528 1.00 1.22 C ATOM 301 O GLU A 20 7.211 7.455 0.473 1.00 43.35 O ATOM 302 CB GLU A 20 7.273 7.076 -2.778 1.00 60.22 C ATOM 303 CG GLU A 20 8.237 5.994 -2.321 1.00 5.42 C ATOM 304 CD GLU A 20 8.829 5.213 -3.478 1.00 4.13 C ATOM 305 OE1 GLU A 20 8.633 5.632 -4.638 1.00 3.32 O ATOM 306 OE2 GLU A 20 9.488 4.183 -3.224 1.00 11.23 O ATOM 0 H GLU A 20 5.535 8.840 -3.135 1.00 63.32 H new ATOM 0 HA GLU A 20 5.729 6.556 -1.377 1.00 52.23 H new ATOM 0 HB2 GLU A 20 6.757 6.735 -3.676 1.00 60.22 H new ATOM 0 HB3 GLU A 20 7.841 7.964 -3.055 1.00 60.22 H new ATOM 0 HG2 GLU A 20 9.043 6.450 -1.745 1.00 5.42 H new ATOM 0 HG3 GLU A 20 7.717 5.308 -1.653 1.00 5.42 H new ATOM 313 N GLU A 21 7.189 9.410 -0.643 1.00 24.04 N ATOM 314 CA GLU A 21 7.847 10.152 0.426 1.00 3.33 C ATOM 315 C GLU A 21 7.454 11.626 0.387 1.00 43.33 C ATOM 316 O GLU A 21 7.011 12.135 -0.643 1.00 71.30 O ATOM 317 CB GLU A 21 9.367 10.015 0.312 1.00 0.11 C ATOM 318 CG GLU A 21 9.872 8.605 0.568 1.00 12.14 C ATOM 319 CD GLU A 21 11.375 8.486 0.413 1.00 45.45 C ATOM 320 OE1 GLU A 21 12.092 9.408 0.857 1.00 52.14 O ATOM 321 OE2 GLU A 21 11.836 7.473 -0.153 1.00 72.02 O ATOM 0 H GLU A 21 6.958 9.969 -1.464 1.00 24.04 H new ATOM 0 HA GLU A 21 7.522 9.732 1.378 1.00 3.33 H new ATOM 0 HB2 GLU A 21 9.678 10.328 -0.685 1.00 0.11 H new ATOM 0 HB3 GLU A 21 9.839 10.695 1.021 1.00 0.11 H new ATOM 0 HG2 GLU A 21 9.589 8.299 1.575 1.00 12.14 H new ATOM 0 HG3 GLU A 21 9.384 7.917 -0.123 1.00 12.14 H new ATOM 328 N VAL A 22 7.620 12.307 1.516 1.00 12.33 N ATOM 329 CA VAL A 22 7.283 13.723 1.612 1.00 64.32 C ATOM 330 C VAL A 22 8.458 14.531 2.152 1.00 55.41 C ATOM 331 O VAL A 22 9.111 14.129 3.115 1.00 34.10 O ATOM 332 CB VAL A 22 6.059 13.949 2.518 1.00 34.51 C ATOM 333 CG1 VAL A 22 6.389 13.594 3.960 1.00 13.41 C ATOM 334 CG2 VAL A 22 5.575 15.387 2.411 1.00 21.10 C ATOM 0 H VAL A 22 7.986 11.901 2.377 1.00 12.33 H new ATOM 0 HA VAL A 22 7.045 14.061 0.603 1.00 64.32 H new ATOM 0 HB VAL A 22 5.255 13.294 2.183 1.00 34.51 H new ATOM 0 HG11 VAL A 22 5.512 13.760 4.585 1.00 13.41 H new ATOM 0 HG12 VAL A 22 6.683 12.546 4.019 1.00 13.41 H new ATOM 0 HG13 VAL A 22 7.209 14.221 4.311 1.00 13.41 H new ATOM 0 HG21 VAL A 22 4.709 15.529 3.058 1.00 21.10 H new ATOM 0 HG22 VAL A 22 6.373 16.063 2.719 1.00 21.10 H new ATOM 0 HG23 VAL A 22 5.296 15.601 1.379 1.00 21.10 H new ATOM 344 N ILE A 23 8.720 15.674 1.526 1.00 72.43 N ATOM 345 CA ILE A 23 9.815 16.540 1.945 1.00 74.03 C ATOM 346 C ILE A 23 9.348 17.985 2.089 1.00 30.52 C ATOM 347 O ILE A 23 8.658 18.516 1.218 1.00 20.11 O ATOM 348 CB ILE A 23 10.987 16.488 0.947 1.00 12.31 C ATOM 349 CG1 ILE A 23 11.499 15.054 0.803 1.00 62.14 C ATOM 350 CG2 ILE A 23 12.107 17.414 1.398 1.00 70.22 C ATOM 351 CD1 ILE A 23 11.330 14.489 -0.590 1.00 54.14 C ATOM 0 H ILE A 23 8.189 16.021 0.727 1.00 72.43 H new ATOM 0 HA ILE A 23 10.156 16.172 2.913 1.00 74.03 H new ATOM 0 HB ILE A 23 10.632 16.826 -0.027 1.00 12.31 H new ATOM 0 HG12 ILE A 23 12.555 15.025 1.072 1.00 62.14 H new ATOM 0 HG13 ILE A 23 10.972 14.416 1.512 1.00 62.14 H new ATOM 0 HG21 ILE A 23 12.928 17.367 0.683 1.00 70.22 H new ATOM 0 HG22 ILE A 23 11.733 18.436 1.454 1.00 70.22 H new ATOM 0 HG23 ILE A 23 12.463 17.103 2.380 1.00 70.22 H new ATOM 0 HD11 ILE A 23 11.715 13.469 -0.618 1.00 54.14 H new ATOM 0 HD12 ILE A 23 10.273 14.486 -0.855 1.00 54.14 H new ATOM 0 HD13 ILE A 23 11.881 15.104 -1.301 1.00 54.14 H new ATOM 363 N LEU A 24 9.730 18.616 3.194 1.00 61.03 N ATOM 364 CA LEU A 24 9.353 20.001 3.452 1.00 13.25 C ATOM 365 C LEU A 24 10.251 20.620 4.519 1.00 53.11 C ATOM 366 O LEU A 24 10.924 19.924 5.279 1.00 61.21 O ATOM 367 CB LEU A 24 7.890 20.078 3.894 1.00 41.12 C ATOM 368 CG LEU A 24 7.325 18.826 4.566 1.00 41.30 C ATOM 369 CD1 LEU A 24 8.033 18.564 5.886 1.00 15.14 C ATOM 370 CD2 LEU A 24 5.825 18.967 4.781 1.00 3.31 C ATOM 0 H LEU A 24 10.300 18.191 3.925 1.00 61.03 H new ATOM 0 HA LEU A 24 9.477 20.564 2.527 1.00 13.25 H new ATOM 0 HB2 LEU A 24 7.783 20.916 4.583 1.00 41.12 H new ATOM 0 HB3 LEU A 24 7.279 20.304 3.020 1.00 41.12 H new ATOM 0 HG LEU A 24 7.499 17.974 3.909 1.00 41.30 H new ATOM 0 HD11 LEU A 24 7.618 17.669 6.350 1.00 15.14 H new ATOM 0 HD12 LEU A 24 9.098 18.418 5.705 1.00 15.14 H new ATOM 0 HD13 LEU A 24 7.891 19.416 6.550 1.00 15.14 H new ATOM 0 HD21 LEU A 24 5.440 18.067 5.260 1.00 3.31 H new ATOM 0 HD22 LEU A 24 5.628 19.830 5.418 1.00 3.31 H new ATOM 0 HD23 LEU A 24 5.331 19.106 3.819 1.00 3.31 H new ATOM 382 N PRO A 25 10.261 21.960 4.580 1.00 73.03 N ATOM 383 CA PRO A 25 11.069 22.702 5.551 1.00 4.32 C ATOM 384 C PRO A 25 10.553 22.544 6.977 1.00 32.31 C ATOM 385 O PRO A 25 9.378 22.787 7.252 1.00 31.53 O ATOM 386 CB PRO A 25 10.931 24.156 5.091 1.00 63.41 C ATOM 387 CG PRO A 25 9.635 24.199 4.358 1.00 11.32 C ATOM 388 CD PRO A 25 9.483 22.853 3.705 1.00 12.41 C ATOM 0 HA PRO A 25 12.099 22.345 5.580 1.00 4.32 H new ATOM 0 HB2 PRO A 25 10.929 24.841 5.939 1.00 63.41 H new ATOM 0 HB3 PRO A 25 11.760 24.448 4.447 1.00 63.41 H new ATOM 0 HG2 PRO A 25 8.808 24.398 5.039 1.00 11.32 H new ATOM 0 HG3 PRO A 25 9.634 24.996 3.614 1.00 11.32 H new ATOM 0 HD2 PRO A 25 8.438 22.550 3.648 1.00 12.41 H new ATOM 0 HD3 PRO A 25 9.870 22.855 2.686 1.00 12.41 H new ATOM 396 N SER A 26 11.438 22.135 7.880 1.00 2.45 N ATOM 397 CA SER A 26 11.070 21.941 9.278 1.00 3.31 C ATOM 398 C SER A 26 11.976 22.756 10.196 1.00 1.15 C ATOM 399 O SER A 26 12.795 23.551 9.735 1.00 44.30 O ATOM 400 CB SER A 26 11.151 20.459 9.648 1.00 70.14 C ATOM 401 OG SER A 26 9.937 19.792 9.348 1.00 22.10 O ATOM 0 H SER A 26 12.415 21.931 7.669 1.00 2.45 H new ATOM 0 HA SER A 26 10.044 22.285 9.409 1.00 3.31 H new ATOM 0 HB2 SER A 26 11.971 19.990 9.105 1.00 70.14 H new ATOM 0 HB3 SER A 26 11.373 20.358 10.710 1.00 70.14 H new ATOM 0 HG SER A 26 9.563 19.409 10.169 1.00 22.10 H new ATOM 407 N THR A 27 11.823 22.552 11.501 1.00 13.43 N ATOM 408 CA THR A 27 12.625 23.268 12.486 1.00 75.40 C ATOM 409 C THR A 27 14.105 23.223 12.126 1.00 2.51 C ATOM 410 O THR A 27 14.740 24.261 11.936 1.00 4.35 O ATOM 411 CB THR A 27 12.433 22.683 13.898 1.00 24.50 C ATOM 412 OG1 THR A 27 12.358 21.254 13.830 1.00 11.24 O ATOM 413 CG2 THR A 27 11.171 23.232 14.545 1.00 2.22 C ATOM 0 H THR A 27 11.151 21.897 11.900 1.00 13.43 H new ATOM 0 HA THR A 27 12.284 24.303 12.480 1.00 75.40 H new ATOM 0 HB THR A 27 13.289 22.973 14.507 1.00 24.50 H new ATOM 0 HG1 THR A 27 12.238 20.889 14.732 1.00 11.24 H new ATOM 0 HG21 THR A 27 11.057 22.804 15.541 1.00 2.22 H new ATOM 0 HG22 THR A 27 11.244 24.317 14.622 1.00 2.22 H new ATOM 0 HG23 THR A 27 10.306 22.969 13.936 1.00 2.22 H new ATOM 421 N THR A 28 14.651 22.015 12.032 1.00 21.25 N ATOM 422 CA THR A 28 16.058 21.835 11.696 1.00 54.54 C ATOM 423 C THR A 28 16.361 22.370 10.301 1.00 44.32 C ATOM 424 O THR A 28 17.515 22.632 9.963 1.00 22.42 O ATOM 425 CB THR A 28 16.467 20.352 11.765 1.00 41.23 C ATOM 426 OG1 THR A 28 15.489 19.543 11.102 1.00 65.40 O ATOM 427 CG2 THR A 28 16.614 19.898 13.209 1.00 1.12 C ATOM 0 H THR A 28 14.140 21.146 12.184 1.00 21.25 H new ATOM 0 HA THR A 28 16.634 22.397 12.432 1.00 54.54 H new ATOM 0 HB THR A 28 17.430 20.240 11.266 1.00 41.23 H new ATOM 0 HG1 THR A 28 15.757 18.602 11.149 1.00 65.40 H new ATOM 0 HG21 THR A 28 16.903 18.847 13.232 1.00 1.12 H new ATOM 0 HG22 THR A 28 17.380 20.496 13.702 1.00 1.12 H new ATOM 0 HG23 THR A 28 15.664 20.024 13.729 1.00 1.12 H new ATOM 435 N GLY A 29 15.317 22.532 9.493 1.00 24.33 N ATOM 436 CA GLY A 29 15.494 23.035 8.144 1.00 42.51 C ATOM 437 C GLY A 29 14.999 22.063 7.092 1.00 31.42 C ATOM 438 O GLY A 29 14.296 22.452 6.160 1.00 2.21 O ATOM 0 H GLY A 29 14.352 22.324 9.749 1.00 24.33 H new ATOM 0 HA2 GLY A 29 14.962 23.980 8.040 1.00 42.51 H new ATOM 0 HA3 GLY A 29 16.550 23.243 7.973 1.00 42.51 H new ATOM 442 N GLN A 30 15.367 20.794 7.241 1.00 4.42 N ATOM 443 CA GLN A 30 14.957 19.764 6.294 1.00 3.05 C ATOM 444 C GLN A 30 14.191 18.650 7.000 1.00 2.03 C ATOM 445 O GLN A 30 14.548 18.240 8.106 1.00 44.33 O ATOM 446 CB GLN A 30 16.178 19.185 5.578 1.00 24.21 C ATOM 447 CG GLN A 30 16.184 19.442 4.080 1.00 75.22 C ATOM 448 CD GLN A 30 17.533 19.909 3.572 1.00 25.04 C ATOM 449 OE1 GLN A 30 18.276 19.145 2.956 1.00 63.42 O ATOM 450 NE2 GLN A 30 17.859 21.171 3.830 1.00 74.54 N ATOM 0 H GLN A 30 15.948 20.455 8.008 1.00 4.42 H new ATOM 0 HA GLN A 30 14.297 20.224 5.558 1.00 3.05 H new ATOM 0 HB2 GLN A 30 17.081 19.611 6.015 1.00 24.21 H new ATOM 0 HB3 GLN A 30 16.216 18.110 5.754 1.00 24.21 H new ATOM 0 HG2 GLN A 30 15.900 18.528 3.558 1.00 75.22 H new ATOM 0 HG3 GLN A 30 15.431 20.193 3.841 1.00 75.22 H new ATOM 0 HE21 GLN A 30 17.213 21.770 4.344 1.00 74.54 H new ATOM 0 HE22 GLN A 30 18.755 21.541 3.514 1.00 74.54 H new ATOM 459 N LEU A 31 13.136 18.164 6.356 1.00 64.15 N ATOM 460 CA LEU A 31 12.319 17.097 6.922 1.00 73.44 C ATOM 461 C LEU A 31 11.952 16.068 5.857 1.00 65.05 C ATOM 462 O LEU A 31 11.527 16.422 4.758 1.00 72.42 O ATOM 463 CB LEU A 31 11.048 17.677 7.545 1.00 70.12 C ATOM 464 CG LEU A 31 10.584 17.029 8.850 1.00 5.21 C ATOM 465 CD1 LEU A 31 10.382 15.534 8.661 1.00 34.15 C ATOM 466 CD2 LEU A 31 11.587 17.297 9.964 1.00 55.14 C ATOM 0 H LEU A 31 12.826 18.492 5.441 1.00 64.15 H new ATOM 0 HA LEU A 31 12.902 16.599 7.697 1.00 73.44 H new ATOM 0 HB2 LEU A 31 11.209 18.739 7.728 1.00 70.12 H new ATOM 0 HB3 LEU A 31 10.241 17.597 6.816 1.00 70.12 H new ATOM 0 HG LEU A 31 9.629 17.471 9.134 1.00 5.21 H new ATOM 0 HD11 LEU A 31 10.052 15.090 9.600 1.00 34.15 H new ATOM 0 HD12 LEU A 31 9.627 15.363 7.894 1.00 34.15 H new ATOM 0 HD13 LEU A 31 11.322 15.076 8.354 1.00 34.15 H new ATOM 0 HD21 LEU A 31 11.241 16.829 10.885 1.00 55.14 H new ATOM 0 HD22 LEU A 31 12.557 16.882 9.688 1.00 55.14 H new ATOM 0 HD23 LEU A 31 11.682 18.372 10.117 1.00 55.14 H new ATOM 478 N GLY A 32 12.119 14.792 6.191 1.00 23.11 N ATOM 479 CA GLY A 32 11.800 13.731 5.253 1.00 14.35 C ATOM 480 C GLY A 32 11.086 12.569 5.914 1.00 34.04 C ATOM 481 O GLY A 32 11.689 11.815 6.679 1.00 53.32 O ATOM 0 H GLY A 32 12.470 14.474 7.095 1.00 23.11 H new ATOM 0 HA2 GLY A 32 11.175 14.131 4.455 1.00 14.35 H new ATOM 0 HA3 GLY A 32 12.719 13.372 4.789 1.00 14.35 H new ATOM 485 N ILE A 33 9.798 12.424 5.621 1.00 13.03 N ATOM 486 CA ILE A 33 9.001 11.346 6.193 1.00 23.43 C ATOM 487 C ILE A 33 8.611 10.326 5.129 1.00 62.04 C ATOM 488 O ILE A 33 8.280 10.688 3.999 1.00 74.42 O ATOM 489 CB ILE A 33 7.724 11.884 6.865 1.00 62.01 C ATOM 490 CG1 ILE A 33 8.075 12.986 7.867 1.00 34.32 C ATOM 491 CG2 ILE A 33 6.971 10.755 7.552 1.00 20.03 C ATOM 492 CD1 ILE A 33 8.934 12.506 9.016 1.00 11.41 C ATOM 0 H ILE A 33 9.284 13.040 4.991 1.00 13.03 H new ATOM 0 HA ILE A 33 9.622 10.862 6.947 1.00 23.43 H new ATOM 0 HB ILE A 33 7.078 12.310 6.097 1.00 62.01 H new ATOM 0 HG12 ILE A 33 8.596 13.788 7.345 1.00 34.32 H new ATOM 0 HG13 ILE A 33 7.154 13.411 8.265 1.00 34.32 H new ATOM 0 HG21 ILE A 33 6.071 11.151 8.022 1.00 20.03 H new ATOM 0 HG22 ILE A 33 6.694 10.001 6.815 1.00 20.03 H new ATOM 0 HG23 ILE A 33 7.608 10.302 8.312 1.00 20.03 H new ATOM 0 HD11 ILE A 33 9.144 13.339 9.686 1.00 11.41 H new ATOM 0 HD12 ILE A 33 8.407 11.724 9.563 1.00 11.41 H new ATOM 0 HD13 ILE A 33 9.872 12.108 8.628 1.00 11.41 H new ATOM 504 N LEU A 34 8.651 9.050 5.497 1.00 41.15 N ATOM 505 CA LEU A 34 8.300 7.976 4.574 1.00 53.44 C ATOM 506 C LEU A 34 7.176 7.115 5.142 1.00 3.52 C ATOM 507 O LEU A 34 6.695 7.357 6.249 1.00 22.03 O ATOM 508 CB LEU A 34 9.524 7.108 4.280 1.00 4.22 C ATOM 509 CG LEU A 34 10.855 7.849 4.143 1.00 21.02 C ATOM 510 CD1 LEU A 34 11.521 8.006 5.501 1.00 21.33 C ATOM 511 CD2 LEU A 34 11.775 7.118 3.177 1.00 65.31 C ATOM 0 H LEU A 34 8.923 8.734 6.428 1.00 41.15 H new ATOM 0 HA LEU A 34 7.952 8.428 3.645 1.00 53.44 H new ATOM 0 HB2 LEU A 34 9.622 6.371 5.077 1.00 4.22 H new ATOM 0 HB3 LEU A 34 9.341 6.557 3.357 1.00 4.22 H new ATOM 0 HG LEU A 34 10.656 8.843 3.742 1.00 21.02 H new ATOM 0 HD11 LEU A 34 12.467 8.535 5.384 1.00 21.33 H new ATOM 0 HD12 LEU A 34 10.867 8.573 6.163 1.00 21.33 H new ATOM 0 HD13 LEU A 34 11.707 7.022 5.931 1.00 21.33 H new ATOM 0 HD21 LEU A 34 12.717 7.659 3.092 1.00 65.31 H new ATOM 0 HD22 LEU A 34 11.967 6.111 3.549 1.00 65.31 H new ATOM 0 HD23 LEU A 34 11.301 7.059 2.197 1.00 65.31 H new ATOM 523 N SER A 35 6.764 6.109 4.378 1.00 22.01 N ATOM 524 CA SER A 35 5.696 5.213 4.805 1.00 63.50 C ATOM 525 C SER A 35 6.144 4.359 5.988 1.00 72.03 C ATOM 526 O SER A 35 5.413 4.200 6.964 1.00 33.01 O ATOM 527 CB SER A 35 5.264 4.312 3.646 1.00 12.03 C ATOM 528 OG SER A 35 5.751 2.992 3.817 1.00 53.21 O ATOM 0 H SER A 35 7.153 5.894 3.460 1.00 22.01 H new ATOM 0 HA SER A 35 4.848 5.822 5.119 1.00 63.50 H new ATOM 0 HB2 SER A 35 4.176 4.296 3.580 1.00 12.03 H new ATOM 0 HB3 SER A 35 5.635 4.721 2.706 1.00 12.03 H new ATOM 0 HG SER A 35 5.460 2.436 3.064 1.00 53.21 H new ATOM 534 N ASN A 36 7.351 3.812 5.891 1.00 22.21 N ATOM 535 CA ASN A 36 7.898 2.973 6.952 1.00 15.51 C ATOM 536 C ASN A 36 8.041 3.763 8.250 1.00 61.03 C ATOM 537 O ASN A 36 8.171 3.185 9.329 1.00 12.25 O ATOM 538 CB ASN A 36 9.256 2.406 6.534 1.00 13.21 C ATOM 539 CG ASN A 36 9.295 0.892 6.600 1.00 74.33 C ATOM 540 OD1 ASN A 36 8.531 0.210 5.916 1.00 62.23 O ATOM 541 ND2 ASN A 36 10.187 0.358 7.426 1.00 51.21 N ATOM 0 H ASN A 36 7.969 3.934 5.089 1.00 22.21 H new ATOM 0 HA ASN A 36 7.206 2.149 7.123 1.00 15.51 H new ATOM 0 HB2 ASN A 36 9.484 2.729 5.518 1.00 13.21 H new ATOM 0 HB3 ASN A 36 10.032 2.815 7.181 1.00 13.21 H new ATOM 0 HD21 ASN A 36 10.259 -0.656 7.513 1.00 51.21 H new ATOM 0 HD22 ASN A 36 10.800 0.962 7.974 1.00 51.21 H new ATOM 548 N HIS A 37 8.017 5.087 8.136 1.00 15.22 N ATOM 549 CA HIS A 37 8.143 5.957 9.300 1.00 33.34 C ATOM 550 C HIS A 37 7.173 5.536 10.401 1.00 63.53 C ATOM 551 O HIS A 37 5.957 5.574 10.218 1.00 60.03 O ATOM 552 CB HIS A 37 7.885 7.412 8.907 1.00 31.40 C ATOM 553 CG HIS A 37 8.538 8.404 9.820 1.00 70.54 C ATOM 554 ND1 HIS A 37 8.169 8.862 11.039 1.00 10.33 N flip ATOM 555 CD2 HIS A 37 9.717 9.048 9.510 1.00 60.53 C flip ATOM 556 CE1 HIS A 37 9.123 9.764 11.440 1.00 31.44 C flip ATOM 557 NE2 HIS A 37 10.046 9.859 10.500 1.00 13.42 N flip ATOM 0 H HIS A 37 7.912 5.581 7.250 1.00 15.22 H new ATOM 0 HA HIS A 37 9.160 5.866 9.681 1.00 33.34 H new ATOM 0 HB2 HIS A 37 8.244 7.574 7.891 1.00 31.40 H new ATOM 0 HB3 HIS A 37 6.810 7.592 8.898 1.00 31.40 H new ATOM 0 HD2 HIS A 37 10.283 8.911 8.600 1.00 60.53 H new ATOM 0 HE1 HIS A 37 9.119 10.308 12.373 1.00 31.44 H new ATOM 0 HE2 HIS A 37 10.872 10.457 10.533 1.00 13.42 H new ATOM 565 N ALA A 38 7.721 5.133 11.543 1.00 52.11 N ATOM 566 CA ALA A 38 6.905 4.706 12.673 1.00 73.05 C ATOM 567 C ALA A 38 5.942 5.808 13.102 1.00 72.32 C ATOM 568 O ALA A 38 6.092 6.974 12.736 1.00 32.21 O ATOM 569 CB ALA A 38 7.791 4.294 13.838 1.00 23.42 C ATOM 0 H ALA A 38 8.726 5.093 11.710 1.00 52.11 H new ATOM 0 HA ALA A 38 6.314 3.846 12.358 1.00 73.05 H new ATOM 0 HB1 ALA A 38 7.168 3.978 14.675 1.00 23.42 H new ATOM 0 HB2 ALA A 38 8.434 3.469 13.532 1.00 23.42 H new ATOM 0 HB3 ALA A 38 8.407 5.140 14.144 1.00 23.42 H new ATOM 575 N PRO A 39 4.928 5.432 13.896 1.00 51.54 N ATOM 576 CA PRO A 39 3.920 6.375 14.392 1.00 62.45 C ATOM 577 C PRO A 39 4.492 7.348 15.417 1.00 54.14 C ATOM 578 O PRO A 39 4.718 6.987 16.572 1.00 32.14 O ATOM 579 CB PRO A 39 2.875 5.466 15.042 1.00 34.43 C ATOM 580 CG PRO A 39 3.625 4.235 15.420 1.00 13.20 C ATOM 581 CD PRO A 39 4.687 4.060 14.371 1.00 64.43 C ATOM 0 HA PRO A 39 3.522 7.004 13.595 1.00 62.45 H new ATOM 0 HB2 PRO A 39 2.426 5.940 15.915 1.00 34.43 H new ATOM 0 HB3 PRO A 39 2.064 5.238 14.351 1.00 34.43 H new ATOM 0 HG2 PRO A 39 4.068 4.336 16.411 1.00 13.20 H new ATOM 0 HG3 PRO A 39 2.963 3.370 15.454 1.00 13.20 H new ATOM 0 HD2 PRO A 39 5.591 3.614 14.785 1.00 64.43 H new ATOM 0 HD3 PRO A 39 4.351 3.409 13.564 1.00 64.43 H new ATOM 589 N LEU A 40 4.723 8.584 14.987 1.00 32.23 N ATOM 590 CA LEU A 40 5.268 9.611 15.869 1.00 73.34 C ATOM 591 C LEU A 40 4.747 10.992 15.483 1.00 64.42 C ATOM 592 O LEU A 40 4.430 11.245 14.320 1.00 71.32 O ATOM 593 CB LEU A 40 6.796 9.596 15.817 1.00 45.33 C ATOM 594 CG LEU A 40 7.513 10.360 16.931 1.00 21.31 C ATOM 595 CD1 LEU A 40 8.532 9.466 17.621 1.00 73.30 C ATOM 596 CD2 LEU A 40 8.185 11.607 16.376 1.00 11.31 C ATOM 0 H LEU A 40 4.542 8.899 14.034 1.00 32.23 H new ATOM 0 HA LEU A 40 4.943 9.392 16.886 1.00 73.34 H new ATOM 0 HB2 LEU A 40 7.130 8.559 15.842 1.00 45.33 H new ATOM 0 HB3 LEU A 40 7.111 10.010 14.859 1.00 45.33 H new ATOM 0 HG LEU A 40 6.772 10.669 17.668 1.00 21.31 H new ATOM 0 HD11 LEU A 40 9.032 10.027 18.411 1.00 73.30 H new ATOM 0 HD12 LEU A 40 8.025 8.603 18.054 1.00 73.30 H new ATOM 0 HD13 LEU A 40 9.270 9.127 16.894 1.00 73.30 H new ATOM 0 HD21 LEU A 40 8.690 12.138 17.183 1.00 11.31 H new ATOM 0 HD22 LEU A 40 8.914 11.321 15.618 1.00 11.31 H new ATOM 0 HD23 LEU A 40 7.433 12.257 15.929 1.00 11.31 H new ATOM 608 N LEU A 41 4.664 11.882 16.465 1.00 43.32 N ATOM 609 CA LEU A 41 4.185 13.240 16.228 1.00 33.52 C ATOM 610 C LEU A 41 5.349 14.222 16.149 1.00 55.23 C ATOM 611 O LEU A 41 6.365 14.054 16.823 1.00 64.22 O ATOM 612 CB LEU A 41 3.221 13.662 17.338 1.00 33.34 C ATOM 613 CG LEU A 41 3.743 13.525 18.769 1.00 62.11 C ATOM 614 CD1 LEU A 41 3.403 14.764 19.582 1.00 12.03 C ATOM 615 CD2 LEU A 41 3.172 12.278 19.428 1.00 0.25 C ATOM 0 H LEU A 41 4.922 11.689 17.433 1.00 43.32 H new ATOM 0 HA LEU A 41 3.659 13.252 15.274 1.00 33.52 H new ATOM 0 HB2 LEU A 41 2.941 14.702 17.173 1.00 33.34 H new ATOM 0 HB3 LEU A 41 2.311 13.069 17.246 1.00 33.34 H new ATOM 0 HG LEU A 41 4.828 13.427 18.732 1.00 62.11 H new ATOM 0 HD11 LEU A 41 3.782 14.648 20.597 1.00 12.03 H new ATOM 0 HD12 LEU A 41 3.861 15.639 19.121 1.00 12.03 H new ATOM 0 HD13 LEU A 41 2.321 14.894 19.611 1.00 12.03 H new ATOM 0 HD21 LEU A 41 3.554 12.197 20.446 1.00 0.25 H new ATOM 0 HD22 LEU A 41 2.084 12.345 19.453 1.00 0.25 H new ATOM 0 HD23 LEU A 41 3.468 11.397 18.858 1.00 0.25 H new ATOM 627 N THR A 42 5.192 15.251 15.322 1.00 41.43 N ATOM 628 CA THR A 42 6.229 16.262 15.155 1.00 52.04 C ATOM 629 C THR A 42 5.621 17.631 14.871 1.00 43.11 C ATOM 630 O THR A 42 4.410 17.759 14.696 1.00 31.13 O ATOM 631 CB THR A 42 7.193 15.894 14.011 1.00 2.03 C ATOM 632 OG1 THR A 42 6.522 15.071 13.050 1.00 4.23 O ATOM 633 CG2 THR A 42 8.415 15.163 14.548 1.00 74.11 C ATOM 0 H THR A 42 4.357 15.406 14.757 1.00 41.43 H new ATOM 0 HA THR A 42 6.786 16.302 16.091 1.00 52.04 H new ATOM 0 HB THR A 42 7.522 16.816 13.532 1.00 2.03 H new ATOM 0 HG1 THR A 42 7.141 14.843 12.325 1.00 4.23 H new ATOM 0 HG21 THR A 42 9.081 14.913 13.722 1.00 74.11 H new ATOM 0 HG22 THR A 42 8.940 15.803 15.257 1.00 74.11 H new ATOM 0 HG23 THR A 42 8.100 14.248 15.050 1.00 74.11 H new ATOM 641 N ALA A 43 6.471 18.652 14.826 1.00 54.34 N ATOM 642 CA ALA A 43 6.017 20.012 14.560 1.00 20.21 C ATOM 643 C ALA A 43 6.567 20.525 13.233 1.00 32.34 C ATOM 644 O ALA A 43 7.682 20.182 12.838 1.00 72.04 O ATOM 645 CB ALA A 43 6.427 20.937 15.697 1.00 65.55 C ATOM 0 H ALA A 43 7.477 18.563 14.970 1.00 54.34 H new ATOM 0 HA ALA A 43 4.929 19.999 14.491 1.00 20.21 H new ATOM 0 HB1 ALA A 43 6.082 21.949 15.485 1.00 65.55 H new ATOM 0 HB2 ALA A 43 5.981 20.589 16.628 1.00 65.55 H new ATOM 0 HB3 ALA A 43 7.513 20.937 15.793 1.00 65.55 H new ATOM 651 N LEU A 44 5.778 21.347 12.550 1.00 63.31 N ATOM 652 CA LEU A 44 6.186 21.907 11.266 1.00 21.21 C ATOM 653 C LEU A 44 6.041 23.425 11.264 1.00 42.22 C ATOM 654 O LEU A 44 5.249 23.983 12.022 1.00 51.30 O ATOM 655 CB LEU A 44 5.352 21.302 10.135 1.00 23.34 C ATOM 656 CG LEU A 44 5.990 20.134 9.382 1.00 42.23 C ATOM 657 CD1 LEU A 44 7.206 20.605 8.599 1.00 61.11 C ATOM 658 CD2 LEU A 44 6.373 19.022 10.347 1.00 71.31 C ATOM 0 H LEU A 44 4.853 21.640 12.863 1.00 63.31 H new ATOM 0 HA LEU A 44 7.236 21.660 11.107 1.00 21.21 H new ATOM 0 HB2 LEU A 44 4.403 20.965 10.551 1.00 23.34 H new ATOM 0 HB3 LEU A 44 5.124 22.090 9.417 1.00 23.34 H new ATOM 0 HG LEU A 44 5.259 19.739 8.676 1.00 42.23 H new ATOM 0 HD11 LEU A 44 7.647 19.761 8.069 1.00 61.11 H new ATOM 0 HD12 LEU A 44 6.903 21.366 7.880 1.00 61.11 H new ATOM 0 HD13 LEU A 44 7.940 21.026 9.286 1.00 61.11 H new ATOM 0 HD21 LEU A 44 6.825 18.199 9.793 1.00 71.31 H new ATOM 0 HD22 LEU A 44 7.087 19.404 11.077 1.00 71.31 H new ATOM 0 HD23 LEU A 44 5.482 18.665 10.863 1.00 71.31 H new ATOM 670 N GLU A 45 6.810 24.087 10.405 1.00 64.23 N ATOM 671 CA GLU A 45 6.766 25.541 10.303 1.00 32.34 C ATOM 672 C GLU A 45 6.296 25.975 8.918 1.00 12.41 C ATOM 673 O GLU A 45 6.020 25.143 8.053 1.00 3.12 O ATOM 674 CB GLU A 45 8.144 26.137 10.597 1.00 40.13 C ATOM 675 CG GLU A 45 8.201 26.931 11.891 1.00 33.11 C ATOM 676 CD GLU A 45 9.612 27.348 12.258 1.00 14.03 C ATOM 677 OE1 GLU A 45 10.564 26.833 11.637 1.00 60.34 O ATOM 678 OE2 GLU A 45 9.763 28.191 13.168 1.00 73.52 O ATOM 0 H GLU A 45 7.471 23.639 9.770 1.00 64.23 H new ATOM 0 HA GLU A 45 6.054 25.910 11.041 1.00 32.34 H new ATOM 0 HB2 GLU A 45 8.877 25.331 10.643 1.00 40.13 H new ATOM 0 HB3 GLU A 45 8.434 26.785 9.770 1.00 40.13 H new ATOM 0 HG2 GLU A 45 7.577 27.819 11.795 1.00 33.11 H new ATOM 0 HG3 GLU A 45 7.781 26.332 12.699 1.00 33.11 H new ATOM 685 N THR A 46 6.206 27.286 8.714 1.00 14.14 N ATOM 686 CA THR A 46 5.768 27.833 7.436 1.00 34.44 C ATOM 687 C THR A 46 6.683 27.384 6.304 1.00 65.45 C ATOM 688 O THR A 46 7.839 27.027 6.530 1.00 11.25 O ATOM 689 CB THR A 46 5.726 29.372 7.468 1.00 1.02 C ATOM 690 OG1 THR A 46 7.039 29.893 7.704 1.00 31.32 O ATOM 691 CG2 THR A 46 4.777 29.865 8.550 1.00 3.51 C ATOM 0 H THR A 46 6.431 27.989 9.418 1.00 14.14 H new ATOM 0 HA THR A 46 4.762 27.454 7.258 1.00 34.44 H new ATOM 0 HB THR A 46 5.364 29.724 6.502 1.00 1.02 H new ATOM 0 HG1 THR A 46 7.004 30.872 7.721 1.00 31.32 H new ATOM 0 HG21 THR A 46 4.764 30.955 8.554 1.00 3.51 H new ATOM 0 HG22 THR A 46 3.773 29.491 8.351 1.00 3.51 H new ATOM 0 HG23 THR A 46 5.113 29.503 9.522 1.00 3.51 H new ATOM 699 N GLY A 47 6.160 27.404 5.082 1.00 73.05 N ATOM 700 CA GLY A 47 6.945 26.997 3.931 1.00 51.01 C ATOM 701 C GLY A 47 6.154 26.140 2.963 1.00 31.41 C ATOM 702 O GLY A 47 5.050 25.695 3.276 1.00 35.30 O ATOM 0 H GLY A 47 5.206 27.695 4.868 1.00 73.05 H new ATOM 0 HA2 GLY A 47 7.310 27.883 3.412 1.00 51.01 H new ATOM 0 HA3 GLY A 47 7.821 26.443 4.270 1.00 51.01 H new ATOM 706 N VAL A 48 6.719 25.908 1.782 1.00 32.34 N ATOM 707 CA VAL A 48 6.059 25.098 0.765 1.00 51.31 C ATOM 708 C VAL A 48 6.465 23.633 0.879 1.00 4.40 C ATOM 709 O VAL A 48 7.637 23.318 1.085 1.00 11.35 O ATOM 710 CB VAL A 48 6.388 25.602 -0.653 1.00 75.11 C ATOM 711 CG1 VAL A 48 7.876 25.468 -0.936 1.00 1.22 C ATOM 712 CG2 VAL A 48 5.570 24.846 -1.689 1.00 73.04 C ATOM 0 H VAL A 48 7.632 26.270 1.506 1.00 32.34 H new ATOM 0 HA VAL A 48 4.986 25.188 0.936 1.00 51.31 H new ATOM 0 HB VAL A 48 6.125 26.658 -0.715 1.00 75.11 H new ATOM 0 HG11 VAL A 48 8.089 25.829 -1.942 1.00 1.22 H new ATOM 0 HG12 VAL A 48 8.439 26.058 -0.212 1.00 1.22 H new ATOM 0 HG13 VAL A 48 8.169 24.421 -0.857 1.00 1.22 H new ATOM 0 HG21 VAL A 48 5.815 25.214 -2.685 1.00 73.04 H new ATOM 0 HG22 VAL A 48 5.800 23.782 -1.629 1.00 73.04 H new ATOM 0 HG23 VAL A 48 4.508 24.999 -1.496 1.00 73.04 H new ATOM 722 N MET A 49 5.489 22.742 0.743 1.00 63.13 N ATOM 723 CA MET A 49 5.746 21.309 0.829 1.00 62.11 C ATOM 724 C MET A 49 5.826 20.686 -0.561 1.00 53.34 C ATOM 725 O MET A 49 5.094 21.079 -1.470 1.00 75.41 O ATOM 726 CB MET A 49 4.651 20.621 1.647 1.00 42.14 C ATOM 727 CG MET A 49 3.272 20.713 1.014 1.00 21.10 C ATOM 728 SD MET A 49 2.090 19.572 1.757 1.00 70.34 S ATOM 729 CE MET A 49 2.848 17.997 1.365 1.00 72.23 C ATOM 0 H MET A 49 4.513 22.986 0.573 1.00 63.13 H new ATOM 0 HA MET A 49 6.705 21.167 1.327 1.00 62.11 H new ATOM 0 HB2 MET A 49 4.912 19.571 1.778 1.00 42.14 H new ATOM 0 HB3 MET A 49 4.616 21.067 2.641 1.00 42.14 H new ATOM 0 HG2 MET A 49 2.898 21.732 1.112 1.00 21.10 H new ATOM 0 HG3 MET A 49 3.351 20.504 -0.053 1.00 21.10 H new ATOM 0 HE1 MET A 49 2.080 17.293 1.047 1.00 72.23 H new ATOM 0 HE2 MET A 49 3.572 18.132 0.561 1.00 72.23 H new ATOM 0 HE3 MET A 49 3.354 17.607 2.248 1.00 72.23 H new ATOM 739 N ARG A 50 6.719 19.715 -0.720 1.00 11.03 N ATOM 740 CA ARG A 50 6.894 19.040 -2.000 1.00 25.22 C ATOM 741 C ARG A 50 6.596 17.549 -1.874 1.00 34.24 C ATOM 742 O ARG A 50 7.287 16.825 -1.157 1.00 61.32 O ATOM 743 CB ARG A 50 8.320 19.243 -2.517 1.00 10.15 C ATOM 744 CG ARG A 50 8.451 20.389 -3.507 1.00 23.24 C ATOM 745 CD ARG A 50 9.578 20.142 -4.498 1.00 75.11 C ATOM 746 NE ARG A 50 10.496 21.275 -4.577 1.00 33.13 N ATOM 747 CZ ARG A 50 11.349 21.597 -3.611 1.00 45.35 C ATOM 748 NH1 ARG A 50 11.402 20.876 -2.500 1.00 61.03 N ATOM 749 NH2 ARG A 50 12.153 22.643 -3.757 1.00 3.00 N ATOM 0 H ARG A 50 7.333 19.378 0.022 1.00 11.03 H new ATOM 0 HA ARG A 50 6.191 19.475 -2.710 1.00 25.22 H new ATOM 0 HB2 ARG A 50 8.982 19.428 -1.671 1.00 10.15 H new ATOM 0 HB3 ARG A 50 8.660 18.323 -2.992 1.00 10.15 H new ATOM 0 HG2 ARG A 50 7.512 20.515 -4.046 1.00 23.24 H new ATOM 0 HG3 ARG A 50 8.636 21.318 -2.968 1.00 23.24 H new ATOM 0 HD2 ARG A 50 10.129 19.249 -4.205 1.00 75.11 H new ATOM 0 HD3 ARG A 50 9.157 19.947 -5.484 1.00 75.11 H new ATOM 0 HE ARG A 50 10.481 21.850 -5.419 1.00 33.13 H new ATOM 0 HH11 ARG A 50 10.786 20.071 -2.385 1.00 61.03 H new ATOM 0 HH12 ARG A 50 12.058 21.126 -1.760 1.00 61.03 H new ATOM 0 HH21 ARG A 50 12.116 23.200 -4.611 1.00 3.00 H new ATOM 0 HH22 ARG A 50 12.808 22.890 -3.015 1.00 3.00 H new ATOM 763 N VAL A 51 5.560 17.097 -2.574 1.00 64.42 N ATOM 764 CA VAL A 51 5.170 15.692 -2.541 1.00 51.22 C ATOM 765 C VAL A 51 5.844 14.908 -3.661 1.00 62.13 C ATOM 766 O VAL A 51 5.897 15.360 -4.805 1.00 53.21 O ATOM 767 CB VAL A 51 3.643 15.531 -2.664 1.00 0.22 C ATOM 768 CG1 VAL A 51 3.240 14.080 -2.449 1.00 10.34 C ATOM 769 CG2 VAL A 51 2.931 16.443 -1.676 1.00 54.14 C ATOM 0 H VAL A 51 4.976 17.683 -3.171 1.00 64.42 H new ATOM 0 HA VAL A 51 5.494 15.296 -1.578 1.00 51.22 H new ATOM 0 HB VAL A 51 3.344 15.820 -3.671 1.00 0.22 H new ATOM 0 HG11 VAL A 51 2.158 13.986 -2.540 1.00 10.34 H new ATOM 0 HG12 VAL A 51 3.723 13.453 -3.199 1.00 10.34 H new ATOM 0 HG13 VAL A 51 3.550 13.760 -1.454 1.00 10.34 H new ATOM 0 HG21 VAL A 51 1.853 16.317 -1.776 1.00 54.14 H new ATOM 0 HG22 VAL A 51 3.234 16.186 -0.661 1.00 54.14 H new ATOM 0 HG23 VAL A 51 3.196 17.480 -1.882 1.00 54.14 H new ATOM 779 N ARG A 52 6.359 13.730 -3.324 1.00 74.35 N ATOM 780 CA ARG A 52 7.031 12.882 -4.302 1.00 33.02 C ATOM 781 C ARG A 52 6.370 11.508 -4.376 1.00 1.53 C ATOM 782 O ARG A 52 6.513 10.692 -3.466 1.00 72.44 O ATOM 783 CB ARG A 52 8.510 12.730 -3.945 1.00 23.54 C ATOM 784 CG ARG A 52 9.450 13.035 -5.099 1.00 43.32 C ATOM 785 CD ARG A 52 10.906 12.881 -4.688 1.00 42.41 C ATOM 786 NE ARG A 52 11.776 12.634 -5.835 1.00 74.51 N ATOM 787 CZ ARG A 52 13.096 12.772 -5.800 1.00 2.13 C ATOM 788 NH1 ARG A 52 13.696 13.154 -4.681 1.00 4.11 N ATOM 789 NH2 ARG A 52 13.819 12.528 -6.885 1.00 65.31 N ATOM 0 H ARG A 52 6.324 13.341 -2.382 1.00 74.35 H new ATOM 0 HA ARG A 52 6.947 13.359 -5.278 1.00 33.02 H new ATOM 0 HB2 ARG A 52 8.744 13.393 -3.112 1.00 23.54 H new ATOM 0 HB3 ARG A 52 8.689 11.711 -3.601 1.00 23.54 H new ATOM 0 HG2 ARG A 52 9.234 12.367 -5.932 1.00 43.32 H new ATOM 0 HG3 ARG A 52 9.276 14.051 -5.452 1.00 43.32 H new ATOM 0 HD2 ARG A 52 11.234 13.783 -4.172 1.00 42.41 H new ATOM 0 HD3 ARG A 52 10.997 12.057 -3.980 1.00 42.41 H new ATOM 0 HE ARG A 52 11.346 12.339 -6.711 1.00 74.51 H new ATOM 0 HH11 ARG A 52 13.143 13.342 -3.845 1.00 4.11 H new ATOM 0 HH12 ARG A 52 14.710 13.259 -4.656 1.00 4.11 H new ATOM 0 HH21 ARG A 52 13.361 12.234 -7.748 1.00 65.31 H new ATOM 0 HH22 ARG A 52 14.833 12.634 -6.857 1.00 65.31 H new ATOM 803 N GLN A 53 5.647 11.263 -5.464 1.00 23.13 N ATOM 804 CA GLN A 53 4.964 9.989 -5.655 1.00 1.01 C ATOM 805 C GLN A 53 5.924 8.931 -6.190 1.00 11.35 C ATOM 806 O GLN A 53 6.061 7.854 -5.610 1.00 73.43 O ATOM 807 CB GLN A 53 3.786 10.157 -6.615 1.00 55.54 C ATOM 808 CG GLN A 53 2.739 11.145 -6.127 1.00 13.44 C ATOM 809 CD GLN A 53 1.799 11.594 -7.229 1.00 24.51 C ATOM 810 OE1 GLN A 53 2.200 11.726 -8.386 1.00 11.43 O ATOM 811 NE2 GLN A 53 0.541 11.829 -6.876 1.00 3.24 N ATOM 0 H GLN A 53 5.519 11.929 -6.226 1.00 23.13 H new ATOM 0 HA GLN A 53 4.590 9.657 -4.686 1.00 1.01 H new ATOM 0 HB2 GLN A 53 4.162 10.487 -7.583 1.00 55.54 H new ATOM 0 HB3 GLN A 53 3.314 9.187 -6.770 1.00 55.54 H new ATOM 0 HG2 GLN A 53 2.160 10.688 -5.325 1.00 13.44 H new ATOM 0 HG3 GLN A 53 3.238 12.017 -5.703 1.00 13.44 H new ATOM 0 HE21 GLN A 53 0.252 11.707 -5.905 1.00 3.24 H new ATOM 0 HE22 GLN A 53 -0.137 12.132 -7.575 1.00 3.24 H new ATOM 820 N ASP A 54 6.586 9.246 -7.297 1.00 51.33 N ATOM 821 CA ASP A 54 7.534 8.323 -7.910 1.00 50.11 C ATOM 822 C ASP A 54 8.168 8.941 -9.153 1.00 21.44 C ATOM 823 O ASP A 54 9.392 8.980 -9.283 1.00 33.41 O ATOM 824 CB ASP A 54 6.837 7.012 -8.276 1.00 65.51 C ATOM 825 CG ASP A 54 7.350 5.838 -7.464 1.00 74.15 C ATOM 826 OD1 ASP A 54 8.561 5.545 -7.546 1.00 35.55 O ATOM 827 OD2 ASP A 54 6.539 5.212 -6.749 1.00 3.21 O ATOM 0 H ASP A 54 6.484 10.134 -7.789 1.00 51.33 H new ATOM 0 HA ASP A 54 8.323 8.117 -7.186 1.00 50.11 H new ATOM 0 HB2 ASP A 54 5.764 7.118 -8.118 1.00 65.51 H new ATOM 0 HB3 ASP A 54 6.985 6.809 -9.337 1.00 65.51 H new ATOM 832 N ARG A 55 7.328 9.421 -10.063 1.00 55.01 N ATOM 833 CA ARG A 55 7.806 10.034 -11.296 1.00 52.42 C ATOM 834 C ARG A 55 7.409 11.506 -11.361 1.00 0.44 C ATOM 835 O ARG A 55 8.077 12.311 -12.010 1.00 35.30 O ATOM 836 CB ARG A 55 7.247 9.291 -12.511 1.00 21.02 C ATOM 837 CG ARG A 55 8.263 9.093 -13.624 1.00 10.10 C ATOM 838 CD ARG A 55 7.910 7.897 -14.494 1.00 24.53 C ATOM 839 NE ARG A 55 8.007 6.638 -13.759 1.00 4.23 N ATOM 840 CZ ARG A 55 7.615 5.468 -14.250 1.00 44.02 C ATOM 841 NH1 ARG A 55 7.103 5.396 -15.471 1.00 0.01 N ATOM 842 NH2 ARG A 55 7.736 4.367 -13.520 1.00 71.51 N ATOM 0 H ARG A 55 6.313 9.397 -9.970 1.00 55.01 H new ATOM 0 HA ARG A 55 8.894 9.967 -11.306 1.00 52.42 H new ATOM 0 HB2 ARG A 55 6.876 8.317 -12.192 1.00 21.02 H new ATOM 0 HB3 ARG A 55 6.394 9.844 -12.904 1.00 21.02 H new ATOM 0 HG2 ARG A 55 8.309 9.991 -14.240 1.00 10.10 H new ATOM 0 HG3 ARG A 55 9.254 8.951 -13.193 1.00 10.10 H new ATOM 0 HD2 ARG A 55 6.897 8.015 -14.879 1.00 24.53 H new ATOM 0 HD3 ARG A 55 8.577 7.866 -15.356 1.00 24.53 H new ATOM 0 HE ARG A 55 8.397 6.659 -12.817 1.00 4.23 H new ATOM 0 HH11 ARG A 55 7.010 6.240 -16.035 1.00 0.01 H new ATOM 0 HH12 ARG A 55 6.803 4.496 -15.846 1.00 0.01 H new ATOM 0 HH21 ARG A 55 8.130 4.419 -12.581 1.00 71.51 H new ATOM 0 HH22 ARG A 55 7.435 3.469 -13.898 1.00 71.51 H new ATOM 856 N GLU A 56 6.318 11.850 -10.683 1.00 42.30 N ATOM 857 CA GLU A 56 5.833 13.225 -10.665 1.00 55.11 C ATOM 858 C GLU A 56 5.935 13.820 -9.264 1.00 13.04 C ATOM 859 O GLU A 56 6.182 13.106 -8.292 1.00 3.34 O ATOM 860 CB GLU A 56 4.383 13.284 -11.152 1.00 30.25 C ATOM 861 CG GLU A 56 4.190 12.741 -12.558 1.00 4.33 C ATOM 862 CD GLU A 56 2.860 13.147 -13.162 1.00 61.43 C ATOM 863 OE1 GLU A 56 2.584 14.363 -13.230 1.00 64.50 O ATOM 864 OE2 GLU A 56 2.095 12.247 -13.568 1.00 32.21 O ATOM 0 H GLU A 56 5.754 11.196 -10.140 1.00 42.30 H new ATOM 0 HA GLU A 56 6.459 13.813 -11.337 1.00 55.11 H new ATOM 0 HB2 GLU A 56 3.754 12.719 -10.464 1.00 30.25 H new ATOM 0 HB3 GLU A 56 4.040 14.318 -11.121 1.00 30.25 H new ATOM 0 HG2 GLU A 56 4.999 13.098 -13.196 1.00 4.33 H new ATOM 0 HG3 GLU A 56 4.258 11.653 -12.536 1.00 4.33 H new ATOM 871 N TRP A 57 5.743 15.131 -9.169 1.00 30.34 N ATOM 872 CA TRP A 57 5.814 15.822 -7.886 1.00 41.34 C ATOM 873 C TRP A 57 4.771 16.931 -7.808 1.00 12.44 C ATOM 874 O TRP A 57 4.336 17.462 -8.830 1.00 5.30 O ATOM 875 CB TRP A 57 7.212 16.405 -7.675 1.00 25.33 C ATOM 876 CG TRP A 57 7.680 17.257 -8.816 1.00 22.43 C ATOM 877 CD1 TRP A 57 7.491 18.601 -8.966 1.00 62.32 C ATOM 878 CD2 TRP A 57 8.413 16.821 -9.966 1.00 52.11 C ATOM 879 NE1 TRP A 57 8.062 19.027 -10.141 1.00 2.10 N ATOM 880 CE2 TRP A 57 8.635 17.955 -10.772 1.00 73.23 C ATOM 881 CE3 TRP A 57 8.905 15.585 -10.393 1.00 33.32 C ATOM 882 CZ2 TRP A 57 9.326 17.886 -11.979 1.00 74.22 C ATOM 883 CZ3 TRP A 57 9.590 15.518 -11.591 1.00 32.11 C ATOM 884 CH2 TRP A 57 9.796 16.662 -12.373 1.00 11.55 C ATOM 0 H TRP A 57 5.537 15.736 -9.964 1.00 30.34 H new ATOM 0 HA TRP A 57 5.607 15.097 -7.098 1.00 41.34 H new ATOM 0 HB2 TRP A 57 7.215 17.000 -6.762 1.00 25.33 H new ATOM 0 HB3 TRP A 57 7.919 15.589 -7.527 1.00 25.33 H new ATOM 0 HD1 TRP A 57 6.970 19.236 -8.265 1.00 62.32 H new ATOM 0 HE1 TRP A 57 8.060 19.986 -10.487 1.00 2.10 H new ATOM 0 HE3 TRP A 57 8.753 14.697 -9.797 1.00 33.32 H new ATOM 0 HZ2 TRP A 57 9.486 18.767 -12.583 1.00 74.22 H new ATOM 0 HZ3 TRP A 57 9.973 14.567 -11.931 1.00 32.11 H new ATOM 0 HH2 TRP A 57 10.336 16.577 -13.304 1.00 11.55 H new ATOM 895 N VAL A 58 4.372 17.278 -6.588 1.00 21.53 N ATOM 896 CA VAL A 58 3.380 18.325 -6.376 1.00 62.00 C ATOM 897 C VAL A 58 3.937 19.439 -5.496 1.00 75.13 C ATOM 898 O VAL A 58 4.747 19.192 -4.603 1.00 54.54 O ATOM 899 CB VAL A 58 2.101 17.764 -5.727 1.00 70.22 C ATOM 900 CG1 VAL A 58 1.012 18.825 -5.689 1.00 32.02 C ATOM 901 CG2 VAL A 58 1.625 16.526 -6.473 1.00 11.24 C ATOM 0 H VAL A 58 4.721 16.849 -5.731 1.00 21.53 H new ATOM 0 HA VAL A 58 3.132 18.730 -7.357 1.00 62.00 H new ATOM 0 HB VAL A 58 2.331 17.477 -4.701 1.00 70.22 H new ATOM 0 HG11 VAL A 58 0.116 18.410 -5.227 1.00 32.02 H new ATOM 0 HG12 VAL A 58 1.357 19.680 -5.108 1.00 32.02 H new ATOM 0 HG13 VAL A 58 0.781 19.146 -6.705 1.00 32.02 H new ATOM 0 HG21 VAL A 58 0.720 16.142 -6.001 1.00 11.24 H new ATOM 0 HG22 VAL A 58 1.411 16.786 -7.510 1.00 11.24 H new ATOM 0 HG23 VAL A 58 2.402 15.762 -6.443 1.00 11.24 H new ATOM 911 N ALA A 59 3.495 20.666 -5.755 1.00 24.42 N ATOM 912 CA ALA A 59 3.947 21.818 -4.985 1.00 22.12 C ATOM 913 C ALA A 59 2.770 22.547 -4.346 1.00 21.23 C ATOM 914 O ALA A 59 1.860 23.002 -5.039 1.00 12.12 O ATOM 915 CB ALA A 59 4.740 22.767 -5.871 1.00 51.02 C ATOM 0 H ALA A 59 2.825 20.887 -6.492 1.00 24.42 H new ATOM 0 HA ALA A 59 4.595 21.458 -4.186 1.00 22.12 H new ATOM 0 HB1 ALA A 59 5.071 23.623 -5.283 1.00 51.02 H new ATOM 0 HB2 ALA A 59 5.608 22.247 -6.276 1.00 51.02 H new ATOM 0 HB3 ALA A 59 4.109 23.112 -6.690 1.00 51.02 H new ATOM 921 N ILE A 60 2.794 22.653 -3.022 1.00 23.05 N ATOM 922 CA ILE A 60 1.729 23.327 -2.290 1.00 51.11 C ATOM 923 C ILE A 60 2.294 24.194 -1.170 1.00 21.42 C ATOM 924 O ILE A 60 3.140 23.749 -0.394 1.00 14.11 O ATOM 925 CB ILE A 60 0.732 22.318 -1.690 1.00 62.11 C ATOM 926 CG1 ILE A 60 0.131 21.445 -2.793 1.00 74.31 C ATOM 927 CG2 ILE A 60 -0.364 23.046 -0.927 1.00 1.15 C ATOM 928 CD1 ILE A 60 -0.781 20.355 -2.272 1.00 45.42 C ATOM 0 H ILE A 60 3.540 22.281 -2.434 1.00 23.05 H new ATOM 0 HA ILE A 60 1.206 23.960 -3.007 1.00 51.11 H new ATOM 0 HB ILE A 60 1.266 21.673 -0.992 1.00 62.11 H new ATOM 0 HG12 ILE A 60 -0.429 22.078 -3.481 1.00 74.31 H new ATOM 0 HG13 ILE A 60 0.939 20.989 -3.365 1.00 74.31 H new ATOM 0 HG21 ILE A 60 -1.061 22.319 -0.509 1.00 1.15 H new ATOM 0 HG22 ILE A 60 0.080 23.629 -0.120 1.00 1.15 H new ATOM 0 HG23 ILE A 60 -0.898 23.712 -1.604 1.00 1.15 H new ATOM 0 HD11 ILE A 60 -1.171 19.776 -3.109 1.00 45.42 H new ATOM 0 HD12 ILE A 60 -0.220 19.699 -1.606 1.00 45.42 H new ATOM 0 HD13 ILE A 60 -1.610 20.805 -1.725 1.00 45.42 H new ATOM 940 N ALA A 61 1.820 25.433 -1.091 1.00 33.52 N ATOM 941 CA ALA A 61 2.275 26.361 -0.063 1.00 33.40 C ATOM 942 C ALA A 61 1.428 26.239 1.200 1.00 43.53 C ATOM 943 O ALA A 61 0.205 26.116 1.130 1.00 53.42 O ATOM 944 CB ALA A 61 2.241 27.788 -0.589 1.00 12.15 C ATOM 0 H ALA A 61 1.121 25.817 -1.727 1.00 33.52 H new ATOM 0 HA ALA A 61 3.303 26.105 0.195 1.00 33.40 H new ATOM 0 HB1 ALA A 61 2.583 28.471 0.189 1.00 12.15 H new ATOM 0 HB2 ALA A 61 2.894 27.871 -1.458 1.00 12.15 H new ATOM 0 HB3 ALA A 61 1.221 28.046 -0.875 1.00 12.15 H new ATOM 950 N LEU A 62 2.087 26.274 2.353 1.00 55.30 N ATOM 951 CA LEU A 62 1.394 26.168 3.633 1.00 62.34 C ATOM 952 C LEU A 62 2.162 26.898 4.730 1.00 61.23 C ATOM 953 O LEU A 62 3.351 27.182 4.585 1.00 53.10 O ATOM 954 CB LEU A 62 1.210 24.698 4.015 1.00 64.14 C ATOM 955 CG LEU A 62 2.454 23.815 3.904 1.00 2.24 C ATOM 956 CD1 LEU A 62 3.344 23.991 5.125 1.00 15.34 C ATOM 957 CD2 LEU A 62 2.059 22.355 3.736 1.00 11.42 C ATOM 0 H LEU A 62 3.099 26.375 2.428 1.00 55.30 H new ATOM 0 HA LEU A 62 0.415 26.635 3.528 1.00 62.34 H new ATOM 0 HB2 LEU A 62 0.847 24.653 5.042 1.00 64.14 H new ATOM 0 HB3 LEU A 62 0.430 24.274 3.383 1.00 64.14 H new ATOM 0 HG LEU A 62 3.016 24.122 3.022 1.00 2.24 H new ATOM 0 HD11 LEU A 62 4.224 23.355 5.028 1.00 15.34 H new ATOM 0 HD12 LEU A 62 3.656 25.033 5.201 1.00 15.34 H new ATOM 0 HD13 LEU A 62 2.791 23.711 6.022 1.00 15.34 H new ATOM 0 HD21 LEU A 62 2.957 21.742 3.659 1.00 11.42 H new ATOM 0 HD22 LEU A 62 1.474 22.035 4.598 1.00 11.42 H new ATOM 0 HD23 LEU A 62 1.463 22.241 2.831 1.00 11.42 H new ATOM 969 N MET A 63 1.475 27.197 5.827 1.00 30.54 N ATOM 970 CA MET A 63 2.094 27.891 6.951 1.00 71.52 C ATOM 971 C MET A 63 2.330 26.935 8.116 1.00 1.44 C ATOM 972 O MET A 63 2.188 25.722 7.976 1.00 75.44 O ATOM 973 CB MET A 63 1.215 29.058 7.403 1.00 3.41 C ATOM 974 CG MET A 63 -0.042 28.624 8.138 1.00 74.31 C ATOM 975 SD MET A 63 -0.057 29.152 9.862 1.00 72.22 S ATOM 976 CE MET A 63 -0.226 30.925 9.671 1.00 31.34 C ATOM 0 H MET A 63 0.490 26.970 5.962 1.00 30.54 H new ATOM 0 HA MET A 63 3.058 28.278 6.621 1.00 71.52 H new ATOM 0 HB2 MET A 63 1.798 29.711 8.052 1.00 3.41 H new ATOM 0 HB3 MET A 63 0.931 29.647 6.531 1.00 3.41 H new ATOM 0 HG2 MET A 63 -0.915 29.033 7.629 1.00 74.31 H new ATOM 0 HG3 MET A 63 -0.127 27.538 8.094 1.00 74.31 H new ATOM 0 HE1 MET A 63 0.482 31.431 10.327 1.00 31.34 H new ATOM 0 HE2 MET A 63 -0.023 31.200 8.636 1.00 31.34 H new ATOM 0 HE3 MET A 63 -1.241 31.224 9.933 1.00 31.34 H new ATOM 986 N GLY A 64 2.693 27.492 9.268 1.00 14.22 N ATOM 987 CA GLY A 64 2.943 26.675 10.441 1.00 61.11 C ATOM 988 C GLY A 64 1.790 25.743 10.755 1.00 71.51 C ATOM 989 O GLY A 64 0.644 26.023 10.407 1.00 74.41 O ATOM 0 H GLY A 64 2.818 28.494 9.409 1.00 14.22 H new ATOM 0 HA2 GLY A 64 3.848 26.088 10.285 1.00 61.11 H new ATOM 0 HA3 GLY A 64 3.127 27.322 11.298 1.00 61.11 H new ATOM 993 N GLY A 65 2.094 24.628 11.414 1.00 11.51 N ATOM 994 CA GLY A 65 1.063 23.668 11.762 1.00 23.20 C ATOM 995 C GLY A 65 1.618 22.464 12.498 1.00 74.13 C ATOM 996 O GLY A 65 2.774 22.464 12.920 1.00 31.34 O ATOM 0 H GLY A 65 3.035 24.373 11.713 1.00 11.51 H new ATOM 0 HA2 GLY A 65 0.312 24.155 12.383 1.00 23.20 H new ATOM 0 HA3 GLY A 65 0.559 23.335 10.855 1.00 23.20 H new ATOM 1000 N PHE A 66 0.791 21.435 12.653 1.00 52.10 N ATOM 1001 CA PHE A 66 1.204 20.220 13.345 1.00 10.14 C ATOM 1002 C PHE A 66 1.282 19.043 12.378 1.00 20.40 C ATOM 1003 O PHE A 66 0.465 18.919 11.466 1.00 13.34 O ATOM 1004 CB PHE A 66 0.230 19.898 14.481 1.00 51.34 C ATOM 1005 CG PHE A 66 0.777 20.206 15.845 1.00 21.42 C ATOM 1006 CD1 PHE A 66 1.990 19.675 16.255 1.00 14.14 C ATOM 1007 CD2 PHE A 66 0.079 21.025 16.718 1.00 44.35 C ATOM 1008 CE1 PHE A 66 2.495 19.956 17.511 1.00 71.42 C ATOM 1009 CE2 PHE A 66 0.580 21.310 17.974 1.00 31.32 C ATOM 1010 CZ PHE A 66 1.790 20.775 18.371 1.00 72.12 C ATOM 0 H PHE A 66 -0.169 21.419 12.309 1.00 52.10 H new ATOM 0 HA PHE A 66 2.196 20.390 13.764 1.00 10.14 H new ATOM 0 HB2 PHE A 66 -0.690 20.463 14.331 1.00 51.34 H new ATOM 0 HB3 PHE A 66 -0.034 18.841 14.434 1.00 51.34 H new ATOM 0 HD1 PHE A 66 2.546 19.035 15.586 1.00 14.14 H new ATOM 0 HD2 PHE A 66 -0.868 21.446 16.413 1.00 44.35 H new ATOM 0 HE1 PHE A 66 3.441 19.535 17.820 1.00 71.42 H new ATOM 0 HE2 PHE A 66 0.026 21.950 18.644 1.00 31.32 H new ATOM 0 HZ PHE A 66 2.184 20.997 19.352 1.00 72.12 H new ATOM 1020 N ALA A 67 2.272 18.180 12.584 1.00 51.01 N ATOM 1021 CA ALA A 67 2.457 17.012 11.732 1.00 72.10 C ATOM 1022 C ALA A 67 2.423 15.725 12.550 1.00 50.23 C ATOM 1023 O ALA A 67 3.075 15.622 13.588 1.00 1.20 O ATOM 1024 CB ALA A 67 3.767 17.119 10.967 1.00 64.13 C ATOM 0 H ALA A 67 2.958 18.268 13.334 1.00 51.01 H new ATOM 0 HA ALA A 67 1.634 16.980 11.018 1.00 72.10 H new ATOM 0 HB1 ALA A 67 3.892 16.240 10.335 1.00 64.13 H new ATOM 0 HB2 ALA A 67 3.753 18.014 10.345 1.00 64.13 H new ATOM 0 HB3 ALA A 67 4.596 17.180 11.672 1.00 64.13 H new ATOM 1030 N GLU A 68 1.658 14.747 12.074 1.00 1.24 N ATOM 1031 CA GLU A 68 1.539 13.468 12.764 1.00 61.22 C ATOM 1032 C GLU A 68 1.517 12.313 11.767 1.00 73.41 C ATOM 1033 O GLU A 68 0.535 12.115 11.050 1.00 3.13 O ATOM 1034 CB GLU A 68 0.272 13.441 13.621 1.00 73.02 C ATOM 1035 CG GLU A 68 0.485 12.852 15.005 1.00 63.10 C ATOM 1036 CD GLU A 68 -0.669 11.974 15.450 1.00 45.50 C ATOM 1037 OE1 GLU A 68 -0.697 10.788 15.061 1.00 10.30 O ATOM 1038 OE2 GLU A 68 -1.543 12.475 16.188 1.00 72.21 O ATOM 0 H GLU A 68 1.112 14.816 11.215 1.00 1.24 H new ATOM 0 HA GLU A 68 2.408 13.351 13.411 1.00 61.22 H new ATOM 0 HB2 GLU A 68 -0.109 14.457 13.723 1.00 73.02 H new ATOM 0 HB3 GLU A 68 -0.494 12.863 13.104 1.00 73.02 H new ATOM 0 HG2 GLU A 68 1.404 12.267 15.009 1.00 63.10 H new ATOM 0 HG3 GLU A 68 0.619 13.661 15.723 1.00 63.10 H new ATOM 1045 N VAL A 69 2.606 11.552 11.727 1.00 42.23 N ATOM 1046 CA VAL A 69 2.713 10.416 10.819 1.00 54.32 C ATOM 1047 C VAL A 69 2.588 9.097 11.572 1.00 31.14 C ATOM 1048 O VAL A 69 3.089 8.959 12.688 1.00 70.33 O ATOM 1049 CB VAL A 69 4.049 10.433 10.053 1.00 51.10 C ATOM 1050 CG1 VAL A 69 5.195 10.032 10.969 1.00 12.54 C ATOM 1051 CG2 VAL A 69 3.979 9.517 8.841 1.00 63.32 C ATOM 0 H VAL A 69 3.427 11.702 12.313 1.00 42.23 H new ATOM 0 HA VAL A 69 1.893 10.503 10.106 1.00 54.32 H new ATOM 0 HB VAL A 69 4.234 11.448 9.703 1.00 51.10 H new ATOM 0 HG11 VAL A 69 6.131 10.050 10.410 1.00 12.54 H new ATOM 0 HG12 VAL A 69 5.257 10.732 11.802 1.00 12.54 H new ATOM 0 HG13 VAL A 69 5.020 9.027 11.352 1.00 12.54 H new ATOM 0 HG21 VAL A 69 4.931 9.541 8.311 1.00 63.32 H new ATOM 0 HG22 VAL A 69 3.771 8.498 9.167 1.00 63.32 H new ATOM 0 HG23 VAL A 69 3.185 9.855 8.175 1.00 63.32 H new ATOM 1061 N GLU A 70 1.917 8.130 10.955 1.00 73.13 N ATOM 1062 CA GLU A 70 1.726 6.821 11.568 1.00 22.13 C ATOM 1063 C GLU A 70 1.092 5.845 10.582 1.00 60.43 C ATOM 1064 O GLU A 70 0.043 6.124 10.003 1.00 1.40 O ATOM 1065 CB GLU A 70 0.851 6.941 12.818 1.00 51.24 C ATOM 1066 CG GLU A 70 -0.433 7.720 12.588 1.00 14.13 C ATOM 1067 CD GLU A 70 -1.671 6.930 12.969 1.00 44.15 C ATOM 1068 OE1 GLU A 70 -1.847 5.813 12.438 1.00 50.54 O ATOM 1069 OE2 GLU A 70 -2.462 7.428 13.796 1.00 30.01 O ATOM 0 H GLU A 70 1.496 8.228 10.031 1.00 73.13 H new ATOM 0 HA GLU A 70 2.705 6.436 11.854 1.00 22.13 H new ATOM 0 HB2 GLU A 70 0.601 5.942 13.174 1.00 51.24 H new ATOM 0 HB3 GLU A 70 1.424 7.426 13.608 1.00 51.24 H new ATOM 0 HG2 GLU A 70 -0.403 8.643 13.168 1.00 14.13 H new ATOM 0 HG3 GLU A 70 -0.497 8.005 11.538 1.00 14.13 H new ATOM 1076 N ASN A 71 1.738 4.698 10.395 1.00 33.12 N ATOM 1077 CA ASN A 71 1.238 3.680 9.478 1.00 22.00 C ATOM 1078 C ASN A 71 0.895 4.290 8.122 1.00 5.34 C ATOM 1079 O ASN A 71 -0.232 4.173 7.645 1.00 13.31 O ATOM 1080 CB ASN A 71 0.004 2.994 10.068 1.00 63.24 C ATOM 1081 CG ASN A 71 0.360 2.004 11.160 1.00 12.12 C ATOM 1082 OD1 ASN A 71 0.213 2.294 12.348 1.00 44.24 O ATOM 1083 ND2 ASN A 71 0.830 0.828 10.762 1.00 22.44 N ATOM 0 H ASN A 71 2.608 4.451 10.866 1.00 33.12 H new ATOM 0 HA ASN A 71 2.024 2.939 9.335 1.00 22.00 H new ATOM 0 HB2 ASN A 71 -0.670 3.749 10.472 1.00 63.24 H new ATOM 0 HB3 ASN A 71 -0.535 2.477 9.274 1.00 63.24 H new ATOM 0 HD21 ASN A 71 1.086 0.121 11.451 1.00 22.44 H new ATOM 0 HD22 ASN A 71 0.935 0.631 9.767 1.00 22.44 H new ATOM 1090 N ASN A 72 1.878 4.941 7.507 1.00 15.23 N ATOM 1091 CA ASN A 72 1.680 5.570 6.206 1.00 3.13 C ATOM 1092 C ASN A 72 0.507 6.544 6.245 1.00 11.44 C ATOM 1093 O ASN A 72 -0.245 6.664 5.279 1.00 40.12 O ATOM 1094 CB ASN A 72 1.439 4.506 5.134 1.00 53.13 C ATOM 1095 CG ASN A 72 1.919 3.133 5.563 1.00 50.13 C ATOM 1096 OD1 ASN A 72 3.217 3.013 5.815 1.00 12.34 O flip ATOM 1097 ND2 ASN A 72 1.132 2.192 5.666 1.00 62.21 N flip ATOM 0 H ASN A 72 2.818 5.046 7.888 1.00 15.23 H new ATOM 0 HA ASN A 72 2.583 6.128 5.959 1.00 3.13 H new ATOM 0 HB2 ASN A 72 0.374 4.460 4.904 1.00 53.13 H new ATOM 0 HB3 ASN A 72 1.951 4.796 4.216 1.00 53.13 H new ATOM 0 HD21 ASN A 72 0.142 2.330 5.462 1.00 62.21 H new ATOM 0 HD22 ASN A 72 1.470 1.274 5.955 1.00 62.21 H new ATOM 1104 N GLU A 73 0.358 7.238 7.370 1.00 41.45 N ATOM 1105 CA GLU A 73 -0.724 8.202 7.534 1.00 21.00 C ATOM 1106 C GLU A 73 -0.212 9.491 8.171 1.00 35.35 C ATOM 1107 O GLU A 73 -0.079 9.583 9.392 1.00 75.41 O ATOM 1108 CB GLU A 73 -1.842 7.605 8.391 1.00 53.22 C ATOM 1109 CG GLU A 73 -3.229 7.794 7.799 1.00 11.34 C ATOM 1110 CD GLU A 73 -3.539 6.791 6.706 1.00 63.34 C ATOM 1111 OE1 GLU A 73 -2.864 5.741 6.656 1.00 21.13 O ATOM 1112 OE2 GLU A 73 -4.455 7.055 5.899 1.00 21.34 O ATOM 0 H GLU A 73 0.972 7.151 8.180 1.00 41.45 H new ATOM 0 HA GLU A 73 -1.120 8.438 6.546 1.00 21.00 H new ATOM 0 HB2 GLU A 73 -1.656 6.540 8.526 1.00 53.22 H new ATOM 0 HB3 GLU A 73 -1.813 8.061 9.380 1.00 53.22 H new ATOM 0 HG2 GLU A 73 -3.973 7.704 8.591 1.00 11.34 H new ATOM 0 HG3 GLU A 73 -3.313 8.803 7.395 1.00 11.34 H new ATOM 1119 N VAL A 74 0.073 10.484 7.336 1.00 45.30 N ATOM 1120 CA VAL A 74 0.570 11.768 7.816 1.00 12.35 C ATOM 1121 C VAL A 74 -0.517 12.835 7.755 1.00 12.42 C ATOM 1122 O VAL A 74 -1.287 12.900 6.796 1.00 31.22 O ATOM 1123 CB VAL A 74 1.786 12.242 6.998 1.00 34.10 C ATOM 1124 CG1 VAL A 74 2.818 12.895 7.904 1.00 20.23 C ATOM 1125 CG2 VAL A 74 2.397 11.079 6.231 1.00 33.01 C ATOM 0 H VAL A 74 -0.032 10.424 6.323 1.00 45.30 H new ATOM 0 HA VAL A 74 0.874 11.622 8.852 1.00 12.35 H new ATOM 0 HB VAL A 74 1.449 12.987 6.277 1.00 34.10 H new ATOM 0 HG11 VAL A 74 3.670 13.223 7.308 1.00 20.23 H new ATOM 0 HG12 VAL A 74 2.372 13.755 8.403 1.00 20.23 H new ATOM 0 HG13 VAL A 74 3.154 12.176 8.651 1.00 20.23 H new ATOM 0 HG21 VAL A 74 3.255 11.431 5.658 1.00 33.01 H new ATOM 0 HG22 VAL A 74 2.720 10.310 6.933 1.00 33.01 H new ATOM 0 HG23 VAL A 74 1.654 10.661 5.551 1.00 33.01 H new ATOM 1135 N THR A 75 -0.575 13.674 8.786 1.00 61.53 N ATOM 1136 CA THR A 75 -1.568 14.738 8.850 1.00 1.31 C ATOM 1137 C THR A 75 -0.917 16.078 9.174 1.00 11.21 C ATOM 1138 O THR A 75 -0.406 16.280 10.276 1.00 63.10 O ATOM 1139 CB THR A 75 -2.648 14.436 9.906 1.00 2.32 C ATOM 1140 OG1 THR A 75 -3.444 15.603 10.140 1.00 54.01 O ATOM 1141 CG2 THR A 75 -2.015 13.978 11.212 1.00 50.34 C ATOM 0 H THR A 75 0.055 13.636 9.588 1.00 61.53 H new ATOM 0 HA THR A 75 -2.037 14.793 7.867 1.00 1.31 H new ATOM 0 HB THR A 75 -3.282 13.634 9.527 1.00 2.32 H new ATOM 0 HG1 THR A 75 -4.129 15.402 10.811 1.00 54.01 H new ATOM 0 HG21 THR A 75 -2.797 13.771 11.942 1.00 50.34 H new ATOM 0 HG22 THR A 75 -1.433 13.073 11.037 1.00 50.34 H new ATOM 0 HG23 THR A 75 -1.361 14.762 11.594 1.00 50.34 H new ATOM 1149 N ILE A 76 -0.940 16.991 8.209 1.00 73.33 N ATOM 1150 CA ILE A 76 -0.354 18.312 8.393 1.00 3.31 C ATOM 1151 C ILE A 76 -1.433 19.368 8.609 1.00 31.42 C ATOM 1152 O ILE A 76 -2.006 19.891 7.652 1.00 31.54 O ATOM 1153 CB ILE A 76 0.511 18.718 7.185 1.00 54.22 C ATOM 1154 CG1 ILE A 76 1.610 17.681 6.945 1.00 54.12 C ATOM 1155 CG2 ILE A 76 1.115 20.097 7.405 1.00 32.00 C ATOM 1156 CD1 ILE A 76 2.469 17.980 5.736 1.00 33.31 C ATOM 0 H ILE A 76 -1.359 16.840 7.291 1.00 73.33 H new ATOM 0 HA ILE A 76 0.278 18.255 9.279 1.00 3.31 H new ATOM 0 HB ILE A 76 -0.124 18.758 6.300 1.00 54.22 H new ATOM 0 HG12 ILE A 76 2.246 17.627 7.828 1.00 54.12 H new ATOM 0 HG13 ILE A 76 1.152 16.700 6.821 1.00 54.12 H new ATOM 0 HG21 ILE A 76 1.723 20.370 6.543 1.00 32.00 H new ATOM 0 HG22 ILE A 76 0.316 20.828 7.531 1.00 32.00 H new ATOM 0 HG23 ILE A 76 1.738 20.083 8.299 1.00 32.00 H new ATOM 0 HD11 ILE A 76 3.227 17.204 5.627 1.00 33.31 H new ATOM 0 HD12 ILE A 76 1.844 18.005 4.843 1.00 33.31 H new ATOM 0 HD13 ILE A 76 2.956 18.947 5.866 1.00 33.31 H new ATOM 1168 N LEU A 77 -1.705 19.678 9.872 1.00 21.30 N ATOM 1169 CA LEU A 77 -2.715 20.673 10.215 1.00 2.01 C ATOM 1170 C LEU A 77 -2.165 22.086 10.049 1.00 51.12 C ATOM 1171 O LEU A 77 -1.617 22.665 10.987 1.00 64.31 O ATOM 1172 CB LEU A 77 -3.195 20.466 11.653 1.00 53.35 C ATOM 1173 CG LEU A 77 -4.624 20.919 11.954 1.00 12.22 C ATOM 1174 CD1 LEU A 77 -5.463 19.749 12.443 1.00 31.22 C ATOM 1175 CD2 LEU A 77 -4.622 22.042 12.981 1.00 12.12 C ATOM 0 H LEU A 77 -1.240 19.255 10.675 1.00 21.30 H new ATOM 0 HA LEU A 77 -3.558 20.549 9.535 1.00 2.01 H new ATOM 0 HB2 LEU A 77 -3.113 19.406 11.894 1.00 53.35 H new ATOM 0 HB3 LEU A 77 -2.518 20.998 12.321 1.00 53.35 H new ATOM 0 HG LEU A 77 -5.067 21.297 11.032 1.00 12.22 H new ATOM 0 HD11 LEU A 77 -6.477 20.091 12.652 1.00 31.22 H new ATOM 0 HD12 LEU A 77 -5.492 18.976 11.675 1.00 31.22 H new ATOM 0 HD13 LEU A 77 -5.023 19.341 13.353 1.00 31.22 H new ATOM 0 HD21 LEU A 77 -5.647 22.352 13.183 1.00 12.12 H new ATOM 0 HD22 LEU A 77 -4.161 21.690 13.904 1.00 12.12 H new ATOM 0 HD23 LEU A 77 -4.057 22.889 12.593 1.00 12.12 H new ATOM 1187 N VAL A 78 -2.318 22.638 8.849 1.00 62.41 N ATOM 1188 CA VAL A 78 -1.840 23.984 8.560 1.00 1.52 C ATOM 1189 C VAL A 78 -2.903 25.027 8.889 1.00 24.12 C ATOM 1190 O VAL A 78 -4.088 24.821 8.635 1.00 35.54 O ATOM 1191 CB VAL A 78 -1.433 24.131 7.082 1.00 73.11 C ATOM 1192 CG1 VAL A 78 -0.383 23.095 6.712 1.00 70.33 C ATOM 1193 CG2 VAL A 78 -2.653 24.012 6.180 1.00 25.10 C ATOM 0 H VAL A 78 -2.770 22.173 8.061 1.00 62.41 H new ATOM 0 HA VAL A 78 -0.965 24.150 9.188 1.00 1.52 H new ATOM 0 HB VAL A 78 -0.998 25.120 6.939 1.00 73.11 H new ATOM 0 HG11 VAL A 78 -0.108 23.214 5.664 1.00 70.33 H new ATOM 0 HG12 VAL A 78 0.499 23.232 7.337 1.00 70.33 H new ATOM 0 HG13 VAL A 78 -0.787 22.095 6.869 1.00 70.33 H new ATOM 0 HG21 VAL A 78 -2.348 24.118 5.139 1.00 25.10 H new ATOM 0 HG22 VAL A 78 -3.118 23.037 6.324 1.00 25.10 H new ATOM 0 HG23 VAL A 78 -3.368 24.796 6.430 1.00 25.10 H new ATOM 1203 N ASN A 79 -2.468 26.148 9.456 1.00 54.24 N ATOM 1204 CA ASN A 79 -3.383 27.224 9.820 1.00 41.31 C ATOM 1205 C ASN A 79 -3.450 28.277 8.718 1.00 1.51 C ATOM 1206 O ASN A 79 -3.769 29.438 8.973 1.00 40.02 O ATOM 1207 CB ASN A 79 -2.943 27.872 11.134 1.00 11.43 C ATOM 1208 CG ASN A 79 -3.996 27.752 12.219 1.00 53.32 C ATOM 1209 OD1 ASN A 79 -4.633 28.737 12.593 1.00 53.23 O ATOM 1210 ND2 ASN A 79 -4.184 26.541 12.730 1.00 43.02 N ATOM 0 H ASN A 79 -1.489 26.335 9.673 1.00 54.24 H new ATOM 0 HA ASN A 79 -4.377 26.795 9.949 1.00 41.31 H new ATOM 0 HB2 ASN A 79 -2.019 27.405 11.475 1.00 11.43 H new ATOM 0 HB3 ASN A 79 -2.722 28.925 10.961 1.00 11.43 H new ATOM 0 HD21 ASN A 79 -4.879 26.399 13.463 1.00 43.02 H new ATOM 0 HD22 ASN A 79 -3.633 25.753 12.390 1.00 43.02 H new ATOM 1217 N GLY A 80 -3.147 27.863 7.491 1.00 11.24 N ATOM 1218 CA GLY A 80 -3.179 28.782 6.369 1.00 54.41 C ATOM 1219 C GLY A 80 -2.297 28.329 5.223 1.00 41.12 C ATOM 1220 O GLY A 80 -1.076 28.471 5.277 1.00 23.24 O ATOM 0 H GLY A 80 -2.880 26.907 7.255 1.00 11.24 H new ATOM 0 HA2 GLY A 80 -4.205 28.883 6.016 1.00 54.41 H new ATOM 0 HA3 GLY A 80 -2.858 29.769 6.702 1.00 54.41 H new ATOM 1224 N ALA A 81 -2.916 27.781 4.183 1.00 61.35 N ATOM 1225 CA ALA A 81 -2.179 27.305 3.018 1.00 4.35 C ATOM 1226 C ALA A 81 -2.867 27.724 1.724 1.00 41.41 C ATOM 1227 O ALA A 81 -3.908 28.380 1.748 1.00 3.35 O ATOM 1228 CB ALA A 81 -2.026 25.792 3.072 1.00 54.42 C ATOM 0 H ALA A 81 -3.926 27.655 4.123 1.00 61.35 H new ATOM 0 HA ALA A 81 -1.189 27.760 3.035 1.00 4.35 H new ATOM 0 HB1 ALA A 81 -1.474 25.451 2.196 1.00 54.42 H new ATOM 0 HB2 ALA A 81 -1.483 25.513 3.975 1.00 54.42 H new ATOM 0 HB3 ALA A 81 -3.012 25.327 3.084 1.00 54.42 H new ATOM 1234 N GLU A 82 -2.278 27.341 0.595 1.00 12.51 N ATOM 1235 CA GLU A 82 -2.835 27.680 -0.709 1.00 75.12 C ATOM 1236 C GLU A 82 -2.199 26.834 -1.809 1.00 15.04 C ATOM 1237 O GLU A 82 -1.005 26.539 -1.766 1.00 71.45 O ATOM 1238 CB GLU A 82 -2.626 29.166 -1.008 1.00 60.21 C ATOM 1239 CG GLU A 82 -3.920 29.932 -1.223 1.00 35.14 C ATOM 1240 CD GLU A 82 -4.712 29.419 -2.410 1.00 31.01 C ATOM 1241 OE1 GLU A 82 -4.248 29.598 -3.555 1.00 63.51 O ATOM 1242 OE2 GLU A 82 -5.796 28.839 -2.193 1.00 75.50 O ATOM 0 H GLU A 82 -1.416 26.796 0.557 1.00 12.51 H new ATOM 0 HA GLU A 82 -3.904 27.469 -0.684 1.00 75.12 H new ATOM 0 HB2 GLU A 82 -2.078 29.620 -0.183 1.00 60.21 H new ATOM 0 HB3 GLU A 82 -2.003 29.265 -1.897 1.00 60.21 H new ATOM 0 HG2 GLU A 82 -4.533 29.862 -0.324 1.00 35.14 H new ATOM 0 HG3 GLU A 82 -3.692 30.988 -1.372 1.00 35.14 H new ATOM 1249 N ARG A 83 -3.007 26.447 -2.791 1.00 45.41 N ATOM 1250 CA ARG A 83 -2.524 25.634 -3.901 1.00 11.22 C ATOM 1251 C ARG A 83 -2.057 26.514 -5.057 1.00 3.04 C ATOM 1252 O ARG A 83 -2.752 27.444 -5.463 1.00 71.10 O ATOM 1253 CB ARG A 83 -3.623 24.685 -4.381 1.00 33.32 C ATOM 1254 CG ARG A 83 -3.228 23.218 -4.325 1.00 73.01 C ATOM 1255 CD ARG A 83 -3.786 22.445 -5.510 1.00 42.54 C ATOM 1256 NE ARG A 83 -5.080 21.840 -5.209 1.00 52.12 N ATOM 1257 CZ ARG A 83 -5.222 20.712 -4.522 1.00 1.21 C ATOM 1258 NH1 ARG A 83 -4.155 20.071 -4.067 1.00 25.14 N ATOM 1259 NH2 ARG A 83 -6.433 20.224 -4.288 1.00 74.02 N ATOM 0 H ARG A 83 -3.998 26.683 -2.841 1.00 45.41 H new ATOM 0 HA ARG A 83 -1.676 25.048 -3.547 1.00 11.22 H new ATOM 0 HB2 ARG A 83 -4.514 24.836 -3.771 1.00 33.32 H new ATOM 0 HB3 ARG A 83 -3.891 24.942 -5.406 1.00 33.32 H new ATOM 0 HG2 ARG A 83 -2.141 23.133 -4.313 1.00 73.01 H new ATOM 0 HG3 ARG A 83 -3.593 22.777 -3.397 1.00 73.01 H new ATOM 0 HD2 ARG A 83 -3.889 23.115 -6.364 1.00 42.54 H new ATOM 0 HD3 ARG A 83 -3.080 21.666 -5.799 1.00 42.54 H new ATOM 0 HE ARG A 83 -5.921 22.309 -5.545 1.00 52.12 H new ATOM 0 HH11 ARG A 83 -3.222 20.444 -4.244 1.00 25.14 H new ATOM 0 HH12 ARG A 83 -4.267 19.205 -3.540 1.00 25.14 H new ATOM 0 HH21 ARG A 83 -7.257 20.715 -4.636 1.00 74.02 H new ATOM 0 HH22 ARG A 83 -6.541 19.358 -3.760 1.00 74.02 H new ATOM 1273 N GLY A 84 -0.873 26.213 -5.582 1.00 4.25 N ATOM 1274 CA GLY A 84 -0.332 26.986 -6.685 1.00 12.14 C ATOM 1275 C GLY A 84 -1.236 26.969 -7.902 1.00 4.33 C ATOM 1276 O GLY A 84 -1.127 27.829 -8.776 1.00 3.41 O ATOM 0 H GLY A 84 -0.279 25.448 -5.263 1.00 4.25 H new ATOM 0 HA2 GLY A 84 -0.180 28.016 -6.363 1.00 12.14 H new ATOM 0 HA3 GLY A 84 0.646 26.590 -6.957 1.00 12.14 H new ATOM 1280 N ASP A 85 -2.129 25.988 -7.960 1.00 65.50 N ATOM 1281 CA ASP A 85 -3.054 25.862 -9.080 1.00 33.52 C ATOM 1282 C ASP A 85 -4.232 26.818 -8.921 1.00 41.35 C ATOM 1283 O ASP A 85 -4.848 27.230 -9.905 1.00 14.22 O ATOM 1284 CB ASP A 85 -3.561 24.423 -9.191 1.00 34.24 C ATOM 1285 CG ASP A 85 -2.435 23.409 -9.170 1.00 23.31 C ATOM 1286 OD1 ASP A 85 -1.975 23.055 -8.064 1.00 12.41 O ATOM 1287 OD2 ASP A 85 -2.012 22.969 -10.260 1.00 23.23 O ATOM 0 H ASP A 85 -2.232 25.268 -7.245 1.00 65.50 H new ATOM 0 HA ASP A 85 -2.518 26.122 -9.993 1.00 33.52 H new ATOM 0 HB2 ASP A 85 -4.246 24.218 -8.368 1.00 34.24 H new ATOM 0 HB3 ASP A 85 -4.129 24.311 -10.114 1.00 34.24 H new ATOM 1292 N THR A 86 -4.541 27.168 -7.677 1.00 4.15 N ATOM 1293 CA THR A 86 -5.645 28.074 -7.389 1.00 13.12 C ATOM 1294 C THR A 86 -5.155 29.510 -7.240 1.00 64.32 C ATOM 1295 O THR A 86 -5.693 30.280 -6.445 1.00 53.30 O ATOM 1296 CB THR A 86 -6.390 27.662 -6.105 1.00 4.54 C ATOM 1297 OG1 THR A 86 -5.499 27.713 -4.985 1.00 0.45 O ATOM 1298 CG2 THR A 86 -6.965 26.261 -6.238 1.00 62.53 C ATOM 0 H THR A 86 -4.041 26.837 -6.852 1.00 4.15 H new ATOM 0 HA THR A 86 -6.331 28.013 -8.234 1.00 13.12 H new ATOM 0 HB THR A 86 -7.212 28.361 -5.948 1.00 4.54 H new ATOM 0 HG1 THR A 86 -5.343 28.647 -4.734 1.00 0.45 H new ATOM 0 HG21 THR A 86 -7.486 25.993 -5.319 1.00 62.53 H new ATOM 0 HG22 THR A 86 -7.665 26.233 -7.073 1.00 62.53 H new ATOM 0 HG23 THR A 86 -6.157 25.552 -6.417 1.00 62.53 H new ATOM 1306 N ILE A 87 -4.131 29.863 -8.010 1.00 62.21 N ATOM 1307 CA ILE A 87 -3.569 31.207 -7.965 1.00 14.15 C ATOM 1308 C ILE A 87 -4.055 32.046 -9.142 1.00 32.13 C ATOM 1309 O ILE A 87 -4.243 31.535 -10.246 1.00 33.42 O ATOM 1310 CB ILE A 87 -2.030 31.175 -7.972 1.00 63.24 C ATOM 1311 CG1 ILE A 87 -1.516 30.656 -9.317 1.00 4.00 C ATOM 1312 CG2 ILE A 87 -1.512 30.311 -6.832 1.00 72.42 C ATOM 1313 CD1 ILE A 87 -1.152 31.756 -10.290 1.00 21.32 C ATOM 0 H ILE A 87 -3.674 29.237 -8.673 1.00 62.21 H new ATOM 0 HA ILE A 87 -3.910 31.660 -7.034 1.00 14.15 H new ATOM 0 HB ILE A 87 -1.660 32.190 -7.829 1.00 63.24 H new ATOM 0 HG12 ILE A 87 -0.641 30.030 -9.145 1.00 4.00 H new ATOM 0 HG13 ILE A 87 -2.279 30.021 -9.768 1.00 4.00 H new ATOM 0 HG21 ILE A 87 -0.422 30.299 -6.851 1.00 72.42 H new ATOM 0 HG22 ILE A 87 -1.854 30.720 -5.881 1.00 72.42 H new ATOM 0 HG23 ILE A 87 -1.888 29.294 -6.946 1.00 72.42 H new ATOM 0 HD11 ILE A 87 -0.796 31.315 -11.221 1.00 21.32 H new ATOM 0 HD12 ILE A 87 -2.031 32.369 -10.492 1.00 21.32 H new ATOM 0 HD13 ILE A 87 -0.367 32.378 -9.859 1.00 21.32 H new ATOM 1325 N ASP A 88 -4.255 33.337 -8.899 1.00 23.41 N ATOM 1326 CA ASP A 88 -4.716 34.248 -9.940 1.00 3.14 C ATOM 1327 C ASP A 88 -3.904 35.540 -9.930 1.00 23.53 C ATOM 1328 O ASP A 88 -3.251 35.884 -8.944 1.00 73.10 O ATOM 1329 CB ASP A 88 -6.200 34.563 -9.750 1.00 54.15 C ATOM 1330 CG ASP A 88 -7.097 33.597 -10.499 1.00 32.30 C ATOM 1331 OD1 ASP A 88 -7.200 33.720 -11.738 1.00 13.54 O ATOM 1332 OD2 ASP A 88 -7.695 32.716 -9.846 1.00 52.24 O ATOM 0 H ASP A 88 -4.105 33.776 -7.991 1.00 23.41 H new ATOM 0 HA ASP A 88 -4.576 33.760 -10.904 1.00 3.14 H new ATOM 0 HB2 ASP A 88 -6.442 34.530 -8.688 1.00 54.15 H new ATOM 0 HB3 ASP A 88 -6.400 35.579 -10.091 1.00 54.15 H new ATOM 1337 N PRO A 89 -3.942 36.272 -11.053 1.00 34.12 N ATOM 1338 CA PRO A 89 -3.215 37.536 -11.199 1.00 13.44 C ATOM 1339 C PRO A 89 -3.806 38.647 -10.337 1.00 51.43 C ATOM 1340 O PRO A 89 -3.077 39.476 -9.792 1.00 72.40 O ATOM 1341 CB PRO A 89 -3.376 37.869 -12.684 1.00 71.32 C ATOM 1342 CG PRO A 89 -4.630 37.176 -13.094 1.00 23.12 C ATOM 1343 CD PRO A 89 -4.699 35.922 -12.267 1.00 12.15 C ATOM 0 HA PRO A 89 -2.177 37.448 -10.878 1.00 13.44 H new ATOM 0 HB2 PRO A 89 -3.448 38.945 -12.843 1.00 71.32 H new ATOM 0 HB3 PRO A 89 -2.522 37.518 -13.263 1.00 71.32 H new ATOM 0 HG2 PRO A 89 -5.501 37.808 -12.918 1.00 23.12 H new ATOM 0 HG3 PRO A 89 -4.616 36.941 -14.158 1.00 23.12 H new ATOM 0 HD2 PRO A 89 -5.729 35.650 -12.034 1.00 12.15 H new ATOM 0 HD3 PRO A 89 -4.255 35.073 -12.787 1.00 12.15 H new ATOM 1351 N GLN A 90 -5.130 38.658 -10.219 1.00 61.04 N ATOM 1352 CA GLN A 90 -5.817 39.668 -9.424 1.00 14.21 C ATOM 1353 C GLN A 90 -5.702 39.360 -7.935 1.00 33.32 C ATOM 1354 O GLN A 90 -5.626 40.268 -7.108 1.00 22.31 O ATOM 1355 CB GLN A 90 -7.291 39.750 -9.828 1.00 24.15 C ATOM 1356 CG GLN A 90 -7.668 41.065 -10.490 1.00 1.10 C ATOM 1357 CD GLN A 90 -9.139 41.136 -10.850 1.00 2.42 C ATOM 1358 OE1 GLN A 90 -9.980 41.459 -10.010 1.00 72.35 O ATOM 1359 NE2 GLN A 90 -9.457 40.835 -12.103 1.00 52.54 N ATOM 0 H GLN A 90 -5.748 37.979 -10.664 1.00 61.04 H new ATOM 0 HA GLN A 90 -5.341 40.630 -9.615 1.00 14.21 H new ATOM 0 HB2 GLN A 90 -7.518 38.931 -10.510 1.00 24.15 H new ATOM 0 HB3 GLN A 90 -7.910 39.608 -8.942 1.00 24.15 H new ATOM 0 HG2 GLN A 90 -7.422 41.889 -9.820 1.00 1.10 H new ATOM 0 HG3 GLN A 90 -7.070 41.198 -11.392 1.00 1.10 H new ATOM 0 HE21 GLN A 90 -8.727 40.573 -12.765 1.00 52.54 H new ATOM 0 HE22 GLN A 90 -10.431 40.866 -12.403 1.00 52.54 H new ATOM 1368 N GLU A 91 -5.691 38.073 -7.601 1.00 72.11 N ATOM 1369 CA GLU A 91 -5.587 37.646 -6.211 1.00 23.13 C ATOM 1370 C GLU A 91 -4.193 37.931 -5.657 1.00 73.44 C ATOM 1371 O GLU A 91 -4.047 38.539 -4.598 1.00 31.02 O ATOM 1372 CB GLU A 91 -5.901 36.154 -6.087 1.00 72.43 C ATOM 1373 CG GLU A 91 -7.389 35.847 -6.040 1.00 23.02 C ATOM 1374 CD GLU A 91 -8.012 36.186 -4.699 1.00 64.45 C ATOM 1375 OE1 GLU A 91 -7.316 36.794 -3.859 1.00 63.42 O ATOM 1376 OE2 GLU A 91 -9.194 35.843 -4.490 1.00 61.25 O ATOM 0 H GLU A 91 -5.753 37.309 -8.274 1.00 72.11 H new ATOM 0 HA GLU A 91 -6.314 38.212 -5.629 1.00 23.13 H new ATOM 0 HB2 GLU A 91 -5.456 35.626 -6.931 1.00 72.43 H new ATOM 0 HB3 GLU A 91 -5.430 35.766 -5.184 1.00 72.43 H new ATOM 0 HG2 GLU A 91 -7.897 36.408 -6.825 1.00 23.02 H new ATOM 0 HG3 GLU A 91 -7.545 34.789 -6.252 1.00 23.02 H new ATOM 1383 N ALA A 92 -3.173 37.485 -6.383 1.00 3.31 N ATOM 1384 CA ALA A 92 -1.791 37.693 -5.966 1.00 73.13 C ATOM 1385 C ALA A 92 -1.514 39.168 -5.699 1.00 15.42 C ATOM 1386 O ALA A 92 -0.891 39.520 -4.697 1.00 55.04 O ATOM 1387 CB ALA A 92 -0.836 37.158 -7.022 1.00 64.43 C ATOM 0 H ALA A 92 -3.277 36.978 -7.262 1.00 3.31 H new ATOM 0 HA ALA A 92 -1.632 37.147 -5.036 1.00 73.13 H new ATOM 0 HB1 ALA A 92 0.192 37.320 -6.698 1.00 64.43 H new ATOM 0 HB2 ALA A 92 -1.009 36.091 -7.162 1.00 64.43 H new ATOM 0 HB3 ALA A 92 -1.006 37.680 -7.964 1.00 64.43 H new ATOM 1393 N GLN A 93 -1.981 40.026 -6.601 1.00 2.25 N ATOM 1394 CA GLN A 93 -1.781 41.464 -6.461 1.00 73.12 C ATOM 1395 C GLN A 93 -2.519 42.000 -5.239 1.00 21.14 C ATOM 1396 O GLN A 93 -1.981 42.810 -4.484 1.00 70.12 O ATOM 1397 CB GLN A 93 -2.260 42.191 -7.719 1.00 63.23 C ATOM 1398 CG GLN A 93 -1.218 43.123 -8.317 1.00 21.15 C ATOM 1399 CD GLN A 93 -1.311 43.210 -9.827 1.00 44.41 C ATOM 1400 OE1 GLN A 93 -2.097 43.988 -10.368 1.00 74.24 O ATOM 1401 NE2 GLN A 93 -0.505 42.411 -10.517 1.00 52.42 N ATOM 0 H GLN A 93 -2.500 39.751 -7.435 1.00 2.25 H new ATOM 0 HA GLN A 93 -0.715 41.646 -6.328 1.00 73.12 H new ATOM 0 HB2 GLN A 93 -2.548 41.453 -8.468 1.00 63.23 H new ATOM 0 HB3 GLN A 93 -3.154 42.766 -7.478 1.00 63.23 H new ATOM 0 HG2 GLN A 93 -1.340 44.119 -7.891 1.00 21.15 H new ATOM 0 HG3 GLN A 93 -0.223 42.777 -8.037 1.00 21.15 H new ATOM 0 HE21 GLN A 93 0.131 41.782 -10.027 1.00 52.42 H new ATOM 0 HE22 GLN A 93 -0.522 42.427 -11.537 1.00 52.42 H new ATOM 1410 N GLN A 94 -3.752 41.542 -5.050 1.00 54.41 N ATOM 1411 CA GLN A 94 -4.564 41.977 -3.919 1.00 45.42 C ATOM 1412 C GLN A 94 -3.884 41.635 -2.598 1.00 25.32 C ATOM 1413 O GLN A 94 -3.666 42.505 -1.754 1.00 53.43 O ATOM 1414 CB GLN A 94 -5.948 41.329 -3.978 1.00 25.45 C ATOM 1415 CG GLN A 94 -7.044 42.275 -4.437 1.00 15.51 C ATOM 1416 CD GLN A 94 -8.278 42.209 -3.558 1.00 51.53 C ATOM 1417 OE1 GLN A 94 -9.388 41.986 -4.042 1.00 51.55 O ATOM 1418 NE2 GLN A 94 -8.090 42.403 -2.258 1.00 53.41 N ATOM 0 H GLN A 94 -4.211 40.870 -5.665 1.00 54.41 H new ATOM 0 HA GLN A 94 -4.676 43.060 -3.979 1.00 45.42 H new ATOM 0 HB2 GLN A 94 -5.911 40.474 -4.653 1.00 25.45 H new ATOM 0 HB3 GLN A 94 -6.202 40.944 -2.990 1.00 25.45 H new ATOM 0 HG2 GLN A 94 -6.660 43.295 -4.441 1.00 15.51 H new ATOM 0 HG3 GLN A 94 -7.320 42.034 -5.463 1.00 15.51 H new ATOM 0 HE21 GLN A 94 -7.152 42.585 -1.900 1.00 53.41 H new ATOM 0 HE22 GLN A 94 -8.883 42.370 -1.618 1.00 53.41 H new ATOM 1427 N THR A 95 -3.549 40.360 -2.423 1.00 33.11 N ATOM 1428 CA THR A 95 -2.895 39.901 -1.204 1.00 15.53 C ATOM 1429 C THR A 95 -1.640 40.715 -0.914 1.00 4.41 C ATOM 1430 O THR A 95 -1.345 41.033 0.239 1.00 32.53 O ATOM 1431 CB THR A 95 -2.518 38.411 -1.295 1.00 63.02 C ATOM 1432 OG1 THR A 95 -3.604 37.664 -1.853 1.00 72.42 O ATOM 1433 CG2 THR A 95 -2.166 37.857 0.077 1.00 32.41 C ATOM 0 H THR A 95 -3.720 39.627 -3.111 1.00 33.11 H new ATOM 0 HA THR A 95 -3.609 40.038 -0.392 1.00 15.53 H new ATOM 0 HB THR A 95 -1.645 38.319 -1.941 1.00 63.02 H new ATOM 0 HG1 THR A 95 -3.658 37.836 -2.816 1.00 72.42 H new ATOM 0 HG21 THR A 95 -1.903 36.803 -0.013 1.00 32.41 H new ATOM 0 HG22 THR A 95 -1.319 38.409 0.486 1.00 32.41 H new ATOM 0 HG23 THR A 95 -3.023 37.962 0.743 1.00 32.41 H new ATOM 1441 N LEU A 96 -0.902 41.052 -1.967 1.00 34.34 N ATOM 1442 CA LEU A 96 0.323 41.831 -1.825 1.00 70.41 C ATOM 1443 C LEU A 96 0.011 43.266 -1.414 1.00 44.13 C ATOM 1444 O LEU A 96 0.777 43.892 -0.682 1.00 63.04 O ATOM 1445 CB LEU A 96 1.110 41.823 -3.137 1.00 31.22 C ATOM 1446 CG LEU A 96 2.406 42.633 -3.147 1.00 5.45 C ATOM 1447 CD1 LEU A 96 3.388 42.083 -2.123 1.00 54.20 C ATOM 1448 CD2 LEU A 96 3.026 42.632 -4.536 1.00 60.24 C ATOM 0 H LEU A 96 -1.131 40.798 -2.928 1.00 34.34 H new ATOM 0 HA LEU A 96 0.928 41.372 -1.043 1.00 70.41 H new ATOM 0 HB2 LEU A 96 1.349 40.790 -3.388 1.00 31.22 H new ATOM 0 HB3 LEU A 96 0.463 42.201 -3.928 1.00 31.22 H new ATOM 0 HG LEU A 96 2.169 43.662 -2.877 1.00 5.45 H new ATOM 0 HD11 LEU A 96 4.305 42.672 -2.145 1.00 54.20 H new ATOM 0 HD12 LEU A 96 2.945 42.137 -1.128 1.00 54.20 H new ATOM 0 HD13 LEU A 96 3.619 41.045 -2.361 1.00 54.20 H new ATOM 0 HD21 LEU A 96 3.948 43.214 -4.523 1.00 60.24 H new ATOM 0 HD22 LEU A 96 3.247 41.607 -4.835 1.00 60.24 H new ATOM 0 HD23 LEU A 96 2.328 43.074 -5.246 1.00 60.24 H new ATOM 1460 N GLU A 97 -1.119 43.780 -1.889 1.00 41.12 N ATOM 1461 CA GLU A 97 -1.532 45.142 -1.569 1.00 62.45 C ATOM 1462 C GLU A 97 -1.986 45.245 -0.116 1.00 41.43 C ATOM 1463 O GLU A 97 -1.541 46.124 0.623 1.00 40.24 O ATOM 1464 CB GLU A 97 -2.660 45.588 -2.501 1.00 55.01 C ATOM 1465 CG GLU A 97 -3.066 47.040 -2.314 1.00 1.43 C ATOM 1466 CD GLU A 97 -4.382 47.371 -2.990 1.00 33.51 C ATOM 1467 OE1 GLU A 97 -4.905 46.508 -3.726 1.00 30.55 O ATOM 1468 OE2 GLU A 97 -4.890 48.493 -2.783 1.00 21.32 O ATOM 0 H GLU A 97 -1.764 43.275 -2.496 1.00 41.12 H new ATOM 0 HA GLU A 97 -0.673 45.798 -1.710 1.00 62.45 H new ATOM 0 HB2 GLU A 97 -2.347 45.437 -3.534 1.00 55.01 H new ATOM 0 HB3 GLU A 97 -3.530 44.952 -2.335 1.00 55.01 H new ATOM 0 HG2 GLU A 97 -3.145 47.257 -1.249 1.00 1.43 H new ATOM 0 HG3 GLU A 97 -2.284 47.686 -2.714 1.00 1.43 H new ATOM 1475 N ILE A 98 -2.874 44.343 0.286 1.00 73.35 N ATOM 1476 CA ILE A 98 -3.388 44.332 1.649 1.00 13.15 C ATOM 1477 C ILE A 98 -2.263 44.136 2.660 1.00 61.45 C ATOM 1478 O ILE A 98 -2.270 44.732 3.736 1.00 34.41 O ATOM 1479 CB ILE A 98 -4.439 43.224 1.846 1.00 31.55 C ATOM 1480 CG1 ILE A 98 -4.936 43.213 3.293 1.00 11.15 C ATOM 1481 CG2 ILE A 98 -3.857 41.869 1.471 1.00 41.11 C ATOM 1482 CD1 ILE A 98 -6.123 42.303 3.518 1.00 20.42 C ATOM 0 H ILE A 98 -3.253 43.610 -0.313 1.00 73.35 H new ATOM 0 HA ILE A 98 -3.858 45.301 1.816 1.00 13.15 H new ATOM 0 HB ILE A 98 -5.287 43.428 1.192 1.00 31.55 H new ATOM 0 HG12 ILE A 98 -4.121 42.901 3.946 1.00 11.15 H new ATOM 0 HG13 ILE A 98 -5.207 44.228 3.583 1.00 11.15 H new ATOM 0 HG21 ILE A 98 -4.612 41.096 1.616 1.00 41.11 H new ATOM 0 HG22 ILE A 98 -3.547 41.883 0.426 1.00 41.11 H new ATOM 0 HG23 ILE A 98 -2.994 41.656 2.102 1.00 41.11 H new ATOM 0 HD11 ILE A 98 -6.421 42.346 4.566 1.00 20.42 H new ATOM 0 HD12 ILE A 98 -6.954 42.627 2.891 1.00 20.42 H new ATOM 0 HD13 ILE A 98 -5.851 41.280 3.260 1.00 20.42 H new ATOM 1494 N ALA A 99 -1.295 43.297 2.303 1.00 35.25 N ATOM 1495 CA ALA A 99 -0.161 43.025 3.177 1.00 63.41 C ATOM 1496 C ALA A 99 0.752 44.241 3.287 1.00 50.34 C ATOM 1497 O ALA A 99 1.081 44.684 4.386 1.00 12.15 O ATOM 1498 CB ALA A 99 0.620 41.821 2.669 1.00 55.21 C ATOM 0 H ALA A 99 -1.274 42.795 1.415 1.00 35.25 H new ATOM 0 HA ALA A 99 -0.546 42.802 4.172 1.00 63.41 H new ATOM 0 HB1 ALA A 99 1.464 41.629 3.331 1.00 55.21 H new ATOM 0 HB2 ALA A 99 -0.031 40.947 2.649 1.00 55.21 H new ATOM 0 HB3 ALA A 99 0.987 42.024 1.663 1.00 55.21 H new ATOM 1504 N GLU A 100 1.158 44.776 2.139 1.00 10.22 N ATOM 1505 CA GLU A 100 2.034 45.941 2.108 1.00 4.22 C ATOM 1506 C GLU A 100 1.383 47.131 2.808 1.00 61.25 C ATOM 1507 O GLU A 100 2.047 47.889 3.513 1.00 43.50 O ATOM 1508 CB GLU A 100 2.378 46.310 0.664 1.00 51.35 C ATOM 1509 CG GLU A 100 3.560 47.257 0.542 1.00 50.21 C ATOM 1510 CD GLU A 100 3.194 48.564 -0.134 1.00 75.14 C ATOM 1511 OE1 GLU A 100 2.670 49.463 0.555 1.00 12.34 O ATOM 1512 OE2 GLU A 100 3.431 48.687 -1.354 1.00 61.24 O ATOM 0 H GLU A 100 0.894 44.421 1.220 1.00 10.22 H new ATOM 0 HA GLU A 100 2.952 45.687 2.639 1.00 4.22 H new ATOM 0 HB2 GLU A 100 2.595 45.399 0.107 1.00 51.35 H new ATOM 0 HB3 GLU A 100 1.506 46.769 0.198 1.00 51.35 H new ATOM 0 HG2 GLU A 100 3.958 47.465 1.535 1.00 50.21 H new ATOM 0 HG3 GLU A 100 4.354 46.770 -0.024 1.00 50.21 H new ATOM 1519 N ALA A 101 0.079 47.287 2.606 1.00 72.14 N ATOM 1520 CA ALA A 101 -0.663 48.382 3.217 1.00 12.41 C ATOM 1521 C ALA A 101 -0.848 48.152 4.713 1.00 14.22 C ATOM 1522 O ALA A 101 -0.774 49.088 5.508 1.00 32.14 O ATOM 1523 CB ALA A 101 -2.013 48.550 2.536 1.00 53.41 C ATOM 0 H ALA A 101 -0.485 46.668 2.024 1.00 72.14 H new ATOM 0 HA ALA A 101 -0.086 49.297 3.085 1.00 12.41 H new ATOM 0 HB1 ALA A 101 -2.556 49.372 3.003 1.00 53.41 H new ATOM 0 HB2 ALA A 101 -1.863 48.769 1.479 1.00 53.41 H new ATOM 0 HB3 ALA A 101 -2.589 47.630 2.638 1.00 53.41 H new ATOM 1529 N ASN A 102 -1.091 46.901 5.089 1.00 24.41 N ATOM 1530 CA ASN A 102 -1.288 46.548 6.490 1.00 2.15 C ATOM 1531 C ASN A 102 -0.020 46.803 7.299 1.00 3.54 C ATOM 1532 O ASN A 102 -0.059 47.447 8.349 1.00 23.21 O ATOM 1533 CB ASN A 102 -1.699 45.080 6.616 1.00 61.34 C ATOM 1534 CG ASN A 102 -2.019 44.689 8.045 1.00 21.45 C ATOM 1535 OD1 ASN A 102 -3.161 44.803 8.491 1.00 3.13 O ATOM 1536 ND2 ASN A 102 -1.009 44.224 8.772 1.00 42.32 N ATOM 0 H ASN A 102 -1.156 46.114 4.443 1.00 24.41 H new ATOM 0 HA ASN A 102 -2.085 47.177 6.888 1.00 2.15 H new ATOM 0 HB2 ASN A 102 -2.570 44.895 5.988 1.00 61.34 H new ATOM 0 HB3 ASN A 102 -0.895 44.447 6.241 1.00 61.34 H new ATOM 0 HD21 ASN A 102 -1.164 43.945 9.741 1.00 42.32 H new ATOM 0 HD22 ASN A 102 -0.078 44.146 8.362 1.00 42.32 H new ATOM 1543 N LEU A 103 1.104 46.296 6.804 1.00 55.01 N ATOM 1544 CA LEU A 103 2.385 46.469 7.480 1.00 53.33 C ATOM 1545 C LEU A 103 2.837 47.925 7.425 1.00 13.10 C ATOM 1546 O LEU A 103 3.558 48.395 8.305 1.00 22.20 O ATOM 1547 CB LEU A 103 3.445 45.570 6.843 1.00 64.24 C ATOM 1548 CG LEU A 103 3.788 45.867 5.382 1.00 22.13 C ATOM 1549 CD1 LEU A 103 4.884 46.918 5.294 1.00 21.44 C ATOM 1550 CD2 LEU A 103 4.209 44.593 4.664 1.00 51.24 C ATOM 0 H LEU A 103 1.154 45.762 5.937 1.00 55.01 H new ATOM 0 HA LEU A 103 2.258 46.186 8.525 1.00 53.33 H new ATOM 0 HB2 LEU A 103 4.359 45.646 7.432 1.00 64.24 H new ATOM 0 HB3 LEU A 103 3.106 44.537 6.913 1.00 64.24 H new ATOM 0 HG LEU A 103 2.897 46.259 4.892 1.00 22.13 H new ATOM 0 HD11 LEU A 103 5.115 47.116 4.247 1.00 21.44 H new ATOM 0 HD12 LEU A 103 4.546 47.838 5.772 1.00 21.44 H new ATOM 0 HD13 LEU A 103 5.778 46.554 5.800 1.00 21.44 H new ATOM 0 HD21 LEU A 103 4.449 44.823 3.626 1.00 51.24 H new ATOM 0 HD22 LEU A 103 5.086 44.172 5.155 1.00 51.24 H new ATOM 0 HD23 LEU A 103 3.393 43.871 4.696 1.00 51.24 H new ATOM 1562 N ARG A 104 2.406 48.635 6.387 1.00 33.51 N ATOM 1563 CA ARG A 104 2.765 50.037 6.218 1.00 2.34 C ATOM 1564 C ARG A 104 2.428 50.840 7.472 1.00 74.43 C ATOM 1565 O ARG A 104 3.302 51.453 8.084 1.00 22.32 O ATOM 1566 CB ARG A 104 2.039 50.630 5.010 1.00 50.15 C ATOM 1567 CG ARG A 104 2.975 51.193 3.953 1.00 40.33 C ATOM 1568 CD ARG A 104 2.651 52.646 3.639 1.00 63.43 C ATOM 1569 NE ARG A 104 1.598 52.767 2.635 1.00 72.34 N ATOM 1570 CZ ARG A 104 1.366 53.877 1.943 1.00 32.11 C ATOM 1571 NH1 ARG A 104 2.110 54.956 2.146 1.00 75.33 N ATOM 1572 NH2 ARG A 104 0.388 53.909 1.046 1.00 5.42 N ATOM 0 H ARG A 104 1.807 48.261 5.650 1.00 33.51 H new ATOM 0 HA ARG A 104 3.841 50.092 6.050 1.00 2.34 H new ATOM 0 HB2 ARG A 104 1.415 49.859 4.557 1.00 50.15 H new ATOM 0 HB3 ARG A 104 1.371 51.421 5.351 1.00 50.15 H new ATOM 0 HG2 ARG A 104 4.006 51.116 4.299 1.00 40.33 H new ATOM 0 HG3 ARG A 104 2.899 50.597 3.043 1.00 40.33 H new ATOM 0 HD2 ARG A 104 2.341 53.154 4.552 1.00 63.43 H new ATOM 0 HD3 ARG A 104 3.550 53.149 3.284 1.00 63.43 H new ATOM 0 HE ARG A 104 1.008 51.955 2.455 1.00 72.34 H new ATOM 0 HH11 ARG A 104 2.862 54.935 2.835 1.00 75.33 H new ATOM 0 HH12 ARG A 104 1.930 55.807 1.613 1.00 75.33 H new ATOM 0 HH21 ARG A 104 -0.186 53.081 0.888 1.00 5.42 H new ATOM 0 HH22 ARG A 104 0.211 54.762 0.515 1.00 5.42 H new ATOM 1586 N LYS A 105 1.153 50.831 7.848 1.00 42.53 N ATOM 1587 CA LYS A 105 0.698 51.557 9.028 1.00 65.01 C ATOM 1588 C LYS A 105 0.944 50.744 10.295 1.00 64.23 C ATOM 1589 O LYS A 105 1.326 51.290 11.329 1.00 30.35 O ATOM 1590 CB LYS A 105 -0.790 51.891 8.904 1.00 2.14 C ATOM 1591 CG LYS A 105 -1.159 53.245 9.485 1.00 54.34 C ATOM 1592 CD LYS A 105 -2.224 53.938 8.650 1.00 22.21 C ATOM 1593 CE LYS A 105 -1.646 54.489 7.356 1.00 42.42 C ATOM 1594 NZ LYS A 105 -1.693 55.977 7.317 1.00 10.30 N ATOM 0 H LYS A 105 0.417 50.329 7.352 1.00 42.53 H new ATOM 0 HA LYS A 105 1.267 52.484 9.096 1.00 65.01 H new ATOM 0 HB2 LYS A 105 -1.073 51.867 7.852 1.00 2.14 H new ATOM 0 HB3 LYS A 105 -1.371 51.118 9.408 1.00 2.14 H new ATOM 0 HG2 LYS A 105 -1.521 53.118 10.505 1.00 54.34 H new ATOM 0 HG3 LYS A 105 -0.270 53.874 9.538 1.00 54.34 H new ATOM 0 HD2 LYS A 105 -3.024 53.234 8.422 1.00 22.21 H new ATOM 0 HD3 LYS A 105 -2.668 54.750 9.226 1.00 22.21 H new ATOM 0 HE2 LYS A 105 -0.614 54.155 7.248 1.00 42.42 H new ATOM 0 HE3 LYS A 105 -2.202 54.086 6.509 1.00 42.42 H new ATOM 0 HZ1 LYS A 105 -1.290 56.314 6.419 1.00 10.30 H new ATOM 0 HZ2 LYS A 105 -2.680 56.295 7.394 1.00 10.30 H new ATOM 0 HZ3 LYS A 105 -1.142 56.363 8.110 1.00 10.30 H new ATOM 1608 N ALA A 106 0.725 49.436 10.205 1.00 13.20 N ATOM 1609 CA ALA A 106 0.926 48.548 11.343 1.00 20.11 C ATOM 1610 C ALA A 106 2.361 48.035 11.392 1.00 61.44 C ATOM 1611 O ALA A 106 2.774 47.240 10.547 1.00 1.44 O ATOM 1612 CB ALA A 106 -0.051 47.383 11.283 1.00 14.40 C ATOM 0 H ALA A 106 0.408 48.968 9.356 1.00 13.20 H new ATOM 0 HA ALA A 106 0.740 49.117 12.254 1.00 20.11 H new ATOM 0 HB1 ALA A 106 0.111 46.728 12.139 1.00 14.40 H new ATOM 0 HB2 ALA A 106 -1.072 47.763 11.305 1.00 14.40 H new ATOM 0 HB3 ALA A 106 0.108 46.822 10.362 1.00 14.40 H new ATOM 1618 N GLU A 107 3.116 48.494 12.385 1.00 50.33 N ATOM 1619 CA GLU A 107 4.506 48.082 12.541 1.00 72.41 C ATOM 1620 C GLU A 107 4.610 46.850 13.436 1.00 4.32 C ATOM 1621 O GLU A 107 4.870 46.960 14.634 1.00 43.24 O ATOM 1622 CB GLU A 107 5.337 49.224 13.127 1.00 4.34 C ATOM 1623 CG GLU A 107 5.609 50.348 12.141 1.00 15.14 C ATOM 1624 CD GLU A 107 6.883 51.107 12.458 1.00 54.11 C ATOM 1625 OE1 GLU A 107 7.968 50.491 12.412 1.00 52.44 O ATOM 1626 OE2 GLU A 107 6.794 52.318 12.752 1.00 74.23 O ATOM 0 H GLU A 107 2.789 49.151 13.093 1.00 50.33 H new ATOM 0 HA GLU A 107 4.896 47.828 11.555 1.00 72.41 H new ATOM 0 HB2 GLU A 107 4.818 49.631 13.995 1.00 4.34 H new ATOM 0 HB3 GLU A 107 6.287 48.825 13.482 1.00 4.34 H new ATOM 0 HG2 GLU A 107 5.678 49.935 11.135 1.00 15.14 H new ATOM 0 HG3 GLU A 107 4.767 51.041 12.144 1.00 15.14 H new ATOM 1633 N GLY A 108 4.405 45.677 12.845 1.00 30.13 N ATOM 1634 CA GLY A 108 4.479 44.442 13.603 1.00 25.43 C ATOM 1635 C GLY A 108 4.519 43.216 12.712 1.00 4.11 C ATOM 1636 O GLY A 108 3.714 43.083 11.792 1.00 54.34 O ATOM 0 H GLY A 108 4.189 45.560 11.855 1.00 30.13 H new ATOM 0 HA2 GLY A 108 5.368 44.459 14.233 1.00 25.43 H new ATOM 0 HA3 GLY A 108 3.618 44.376 14.269 1.00 25.43 H new ATOM 1640 N ALA A 109 5.461 42.319 12.985 1.00 60.34 N ATOM 1641 CA ALA A 109 5.603 41.098 12.201 1.00 73.03 C ATOM 1642 C ALA A 109 4.367 40.214 12.333 1.00 2.01 C ATOM 1643 O ALA A 109 3.869 39.676 11.345 1.00 73.45 O ATOM 1644 CB ALA A 109 6.848 40.336 12.631 1.00 53.25 C ATOM 0 H ALA A 109 6.137 42.415 13.743 1.00 60.34 H new ATOM 0 HA ALA A 109 5.707 41.379 11.153 1.00 73.03 H new ATOM 0 HB1 ALA A 109 6.941 39.427 12.037 1.00 53.25 H new ATOM 0 HB2 ALA A 109 7.728 40.961 12.478 1.00 53.25 H new ATOM 0 HB3 ALA A 109 6.768 40.074 13.686 1.00 53.25 H new ATOM 1650 N ARG A 110 3.878 40.068 13.560 1.00 4.24 N ATOM 1651 CA ARG A 110 2.702 39.248 13.822 1.00 61.43 C ATOM 1652 C ARG A 110 1.517 39.714 12.982 1.00 75.32 C ATOM 1653 O ARG A 110 0.785 38.900 12.419 1.00 30.31 O ATOM 1654 CB ARG A 110 2.339 39.297 15.307 1.00 24.11 C ATOM 1655 CG ARG A 110 1.925 37.950 15.878 1.00 44.50 C ATOM 1656 CD ARG A 110 1.001 38.113 17.074 1.00 10.14 C ATOM 1657 NE ARG A 110 1.466 37.354 18.232 1.00 14.13 N ATOM 1658 CZ ARG A 110 0.714 37.108 19.299 1.00 31.15 C ATOM 1659 NH1 ARG A 110 -0.532 37.558 19.355 1.00 1.11 N ATOM 1660 NH2 ARG A 110 1.208 36.409 20.314 1.00 40.43 N ATOM 0 H ARG A 110 4.279 40.507 14.389 1.00 4.24 H new ATOM 0 HA ARG A 110 2.939 38.220 13.547 1.00 61.43 H new ATOM 0 HB2 ARG A 110 3.194 39.673 15.869 1.00 24.11 H new ATOM 0 HB3 ARG A 110 1.526 40.008 15.450 1.00 24.11 H new ATOM 0 HG2 ARG A 110 1.424 37.365 15.107 1.00 44.50 H new ATOM 0 HG3 ARG A 110 2.812 37.391 16.176 1.00 44.50 H new ATOM 0 HD2 ARG A 110 0.931 39.169 17.337 1.00 10.14 H new ATOM 0 HD3 ARG A 110 -0.003 37.784 16.804 1.00 10.14 H new ATOM 0 HE ARG A 110 2.420 36.993 18.221 1.00 14.13 H new ATOM 0 HH11 ARG A 110 -0.916 38.095 18.577 1.00 1.11 H new ATOM 0 HH12 ARG A 110 -1.107 37.367 20.176 1.00 1.11 H new ATOM 0 HH21 ARG A 110 2.166 36.060 20.275 1.00 40.43 H new ATOM 0 HH22 ARG A 110 0.630 36.221 21.133 1.00 40.43 H new ATOM 1674 N GLN A 111 1.334 41.028 12.903 1.00 32.23 N ATOM 1675 CA GLN A 111 0.236 41.601 12.133 1.00 4.33 C ATOM 1676 C GLN A 111 0.335 41.203 10.665 1.00 63.44 C ATOM 1677 O GLN A 111 -0.667 40.874 10.030 1.00 35.54 O ATOM 1678 CB GLN A 111 0.237 43.126 12.261 1.00 25.44 C ATOM 1679 CG GLN A 111 -0.716 43.647 13.324 1.00 4.55 C ATOM 1680 CD GLN A 111 -0.140 43.549 14.723 1.00 31.35 C ATOM 1681 OE1 GLN A 111 0.897 44.140 15.024 1.00 43.23 O ATOM 1682 NE2 GLN A 111 -0.812 42.799 15.589 1.00 74.52 N ATOM 0 H GLN A 111 1.931 41.715 13.362 1.00 32.23 H new ATOM 0 HA GLN A 111 -0.699 41.210 12.534 1.00 4.33 H new ATOM 0 HB2 GLN A 111 1.247 43.462 12.494 1.00 25.44 H new ATOM 0 HB3 GLN A 111 -0.030 43.563 11.299 1.00 25.44 H new ATOM 0 HG2 GLN A 111 -0.961 44.687 13.108 1.00 4.55 H new ATOM 0 HG3 GLN A 111 -1.648 43.084 13.279 1.00 4.55 H new ATOM 0 HE21 GLN A 111 -1.668 42.326 15.298 1.00 74.52 H new ATOM 0 HE22 GLN A 111 -0.472 42.696 16.545 1.00 74.52 H new ATOM 1691 N LYS A 112 1.551 41.234 10.129 1.00 54.55 N ATOM 1692 CA LYS A 112 1.782 40.876 8.734 1.00 22.34 C ATOM 1693 C LYS A 112 1.371 39.431 8.469 1.00 64.01 C ATOM 1694 O LYS A 112 0.685 39.141 7.488 1.00 10.44 O ATOM 1695 CB LYS A 112 3.256 41.072 8.374 1.00 44.42 C ATOM 1696 CG LYS A 112 3.471 41.649 6.985 1.00 2.12 C ATOM 1697 CD LYS A 112 3.305 40.589 5.909 1.00 12.13 C ATOM 1698 CE LYS A 112 3.646 41.135 4.531 1.00 12.23 C ATOM 1699 NZ LYS A 112 5.113 41.127 4.279 1.00 4.31 N ATOM 0 H LYS A 112 2.392 41.503 10.640 1.00 54.55 H new ATOM 0 HA LYS A 112 1.172 41.529 8.110 1.00 22.34 H new ATOM 0 HB2 LYS A 112 3.716 41.733 9.108 1.00 44.42 H new ATOM 0 HB3 LYS A 112 3.769 40.113 8.443 1.00 44.42 H new ATOM 0 HG2 LYS A 112 2.761 42.458 6.812 1.00 2.12 H new ATOM 0 HG3 LYS A 112 4.469 42.081 6.920 1.00 2.12 H new ATOM 0 HD2 LYS A 112 3.948 39.738 6.133 1.00 12.13 H new ATOM 0 HD3 LYS A 112 2.278 40.223 5.913 1.00 12.13 H new ATOM 0 HE2 LYS A 112 3.143 40.539 3.770 1.00 12.23 H new ATOM 0 HE3 LYS A 112 3.267 42.153 4.440 1.00 12.23 H new ATOM 0 HZ1 LYS A 112 5.304 41.506 3.330 1.00 4.31 H new ATOM 0 HZ2 LYS A 112 5.591 41.717 4.990 1.00 4.31 H new ATOM 0 HZ3 LYS A 112 5.471 40.152 4.341 1.00 4.31 H new ATOM 1713 N ILE A 113 1.794 38.529 9.348 1.00 2.34 N ATOM 1714 CA ILE A 113 1.468 37.116 9.209 1.00 35.44 C ATOM 1715 C ILE A 113 -0.028 36.877 9.389 1.00 61.35 C ATOM 1716 O ILE A 113 -0.616 36.033 8.714 1.00 73.33 O ATOM 1717 CB ILE A 113 2.239 36.257 10.229 1.00 72.41 C ATOM 1718 CG1 ILE A 113 3.744 36.499 10.097 1.00 31.24 C ATOM 1719 CG2 ILE A 113 1.915 34.783 10.033 1.00 52.23 C ATOM 1720 CD1 ILE A 113 4.552 35.912 11.234 1.00 52.32 C ATOM 0 H ILE A 113 2.363 38.752 10.164 1.00 2.34 H new ATOM 0 HA ILE A 113 1.763 36.822 8.202 1.00 35.44 H new ATOM 0 HB ILE A 113 1.930 36.546 11.233 1.00 72.41 H new ATOM 0 HG12 ILE A 113 4.092 36.072 9.156 1.00 31.24 H new ATOM 0 HG13 ILE A 113 3.928 37.572 10.047 1.00 31.24 H new ATOM 0 HG21 ILE A 113 2.467 34.189 10.761 1.00 52.23 H new ATOM 0 HG22 ILE A 113 0.846 34.624 10.171 1.00 52.23 H new ATOM 0 HG23 ILE A 113 2.200 34.479 9.026 1.00 52.23 H new ATOM 0 HD11 ILE A 113 5.610 36.122 11.075 1.00 52.32 H new ATOM 0 HD12 ILE A 113 4.232 36.357 12.176 1.00 52.32 H new ATOM 0 HD13 ILE A 113 4.397 34.834 11.271 1.00 52.32 H new ATOM 1732 N GLU A 114 -0.636 37.627 10.302 1.00 54.45 N ATOM 1733 CA GLU A 114 -2.064 37.497 10.568 1.00 11.41 C ATOM 1734 C GLU A 114 -2.880 37.769 9.307 1.00 20.04 C ATOM 1735 O GLU A 114 -3.888 37.111 9.054 1.00 33.41 O ATOM 1736 CB GLU A 114 -2.488 38.460 11.680 1.00 64.50 C ATOM 1737 CG GLU A 114 -3.460 37.849 12.675 1.00 12.32 C ATOM 1738 CD GLU A 114 -4.856 38.431 12.559 1.00 62.15 C ATOM 1739 OE1 GLU A 114 -5.581 38.049 11.617 1.00 54.22 O ATOM 1740 OE2 GLU A 114 -5.222 39.268 13.410 1.00 30.11 O ATOM 0 H GLU A 114 -0.163 38.330 10.870 1.00 54.45 H new ATOM 0 HA GLU A 114 -2.255 36.473 10.890 1.00 11.41 H new ATOM 0 HB2 GLU A 114 -1.600 38.799 12.214 1.00 64.50 H new ATOM 0 HB3 GLU A 114 -2.946 39.341 11.231 1.00 64.50 H new ATOM 0 HG2 GLU A 114 -3.505 36.771 12.518 1.00 12.32 H new ATOM 0 HG3 GLU A 114 -3.087 38.008 13.687 1.00 12.32 H new ATOM 1747 N ALA A 115 -2.436 38.744 8.521 1.00 61.10 N ATOM 1748 CA ALA A 115 -3.123 39.102 7.286 1.00 1.34 C ATOM 1749 C ALA A 115 -2.840 38.086 6.186 1.00 60.43 C ATOM 1750 O ALA A 115 -3.704 37.794 5.360 1.00 12.11 O ATOM 1751 CB ALA A 115 -2.710 40.497 6.838 1.00 33.44 C ATOM 0 H ALA A 115 -1.604 39.300 8.717 1.00 61.10 H new ATOM 0 HA ALA A 115 -4.195 39.097 7.481 1.00 1.34 H new ATOM 0 HB1 ALA A 115 -3.230 40.752 5.915 1.00 33.44 H new ATOM 0 HB2 ALA A 115 -2.970 41.219 7.612 1.00 33.44 H new ATOM 0 HB3 ALA A 115 -1.634 40.520 6.666 1.00 33.44 H new ATOM 1757 N ASN A 116 -1.624 37.550 6.180 1.00 63.41 N ATOM 1758 CA ASN A 116 -1.227 36.566 5.179 1.00 23.11 C ATOM 1759 C ASN A 116 -1.997 35.262 5.363 1.00 61.23 C ATOM 1760 O ASN A 116 -2.606 34.750 4.422 1.00 24.43 O ATOM 1761 CB ASN A 116 0.277 36.299 5.264 1.00 5.34 C ATOM 1762 CG ASN A 116 0.975 36.491 3.932 1.00 61.44 C ATOM 1763 OD1 ASN A 116 1.352 37.605 3.570 1.00 52.41 O ATOM 1764 ND2 ASN A 116 1.150 35.400 3.194 1.00 41.42 N ATOM 0 H ASN A 116 -0.896 37.780 6.857 1.00 63.41 H new ATOM 0 HA ASN A 116 -1.462 36.971 4.195 1.00 23.11 H new ATOM 0 HB2 ASN A 116 0.720 36.967 6.003 1.00 5.34 H new ATOM 0 HB3 ASN A 116 0.443 35.280 5.614 1.00 5.34 H new ATOM 0 HD21 ASN A 116 1.613 35.466 2.288 1.00 41.42 H new ATOM 0 HD22 ASN A 116 0.821 34.496 3.534 1.00 41.42 H new ATOM 1771 N LEU A 117 -1.966 34.730 6.579 1.00 35.45 N ATOM 1772 CA LEU A 117 -2.662 33.485 6.888 1.00 52.02 C ATOM 1773 C LEU A 117 -4.171 33.654 6.742 1.00 51.11 C ATOM 1774 O LEU A 117 -4.867 32.744 6.293 1.00 50.14 O ATOM 1775 CB LEU A 117 -2.324 33.027 8.308 1.00 61.25 C ATOM 1776 CG LEU A 117 -2.944 33.843 9.442 1.00 3.40 C ATOM 1777 CD1 LEU A 117 -4.282 33.251 9.857 1.00 43.23 C ATOM 1778 CD2 LEU A 117 -1.996 33.909 10.631 1.00 52.51 C ATOM 0 H LEU A 117 -1.467 35.141 7.368 1.00 35.45 H new ATOM 0 HA LEU A 117 -2.329 32.726 6.179 1.00 52.02 H new ATOM 0 HB2 LEU A 117 -2.640 31.990 8.419 1.00 61.25 H new ATOM 0 HB3 LEU A 117 -1.240 33.044 8.425 1.00 61.25 H new ATOM 0 HG LEU A 117 -3.115 34.857 9.082 1.00 3.40 H new ATOM 0 HD11 LEU A 117 -4.708 33.845 10.665 1.00 43.23 H new ATOM 0 HD12 LEU A 117 -4.962 33.256 9.005 1.00 43.23 H new ATOM 0 HD13 LEU A 117 -4.136 32.226 10.198 1.00 43.23 H new ATOM 0 HD21 LEU A 117 -2.453 34.494 11.429 1.00 52.51 H new ATOM 0 HD22 LEU A 117 -1.793 32.900 10.991 1.00 52.51 H new ATOM 0 HD23 LEU A 117 -1.062 34.380 10.326 1.00 52.51 H new ATOM 1790 N ALA A 118 -4.670 34.826 7.123 1.00 64.32 N ATOM 1791 CA ALA A 118 -6.095 35.116 7.030 1.00 31.23 C ATOM 1792 C ALA A 118 -6.582 35.023 5.588 1.00 22.32 C ATOM 1793 O ALA A 118 -7.587 34.371 5.302 1.00 30.32 O ATOM 1794 CB ALA A 118 -6.391 36.495 7.601 1.00 32.44 C ATOM 0 H ALA A 118 -4.108 35.590 7.499 1.00 64.32 H new ATOM 0 HA ALA A 118 -6.631 34.369 7.615 1.00 31.23 H new ATOM 0 HB1 ALA A 118 -7.459 36.699 7.525 1.00 32.44 H new ATOM 0 HB2 ALA A 118 -6.089 36.528 8.648 1.00 32.44 H new ATOM 0 HB3 ALA A 118 -5.837 37.248 7.040 1.00 32.44 H new ATOM 1800 N LEU A 119 -5.864 35.679 4.683 1.00 31.30 N ATOM 1801 CA LEU A 119 -6.224 35.670 3.269 1.00 5.52 C ATOM 1802 C LEU A 119 -6.102 34.267 2.685 1.00 71.14 C ATOM 1803 O LEU A 119 -6.992 33.801 1.972 1.00 2.34 O ATOM 1804 CB LEU A 119 -5.331 36.639 2.490 1.00 33.43 C ATOM 1805 CG LEU A 119 -6.016 37.437 1.381 1.00 41.24 C ATOM 1806 CD1 LEU A 119 -6.764 36.508 0.438 1.00 75.31 C ATOM 1807 CD2 LEU A 119 -6.961 38.472 1.974 1.00 43.45 C ATOM 0 H LEU A 119 -5.030 36.223 4.903 1.00 31.30 H new ATOM 0 HA LEU A 119 -7.262 35.991 3.181 1.00 5.52 H new ATOM 0 HB2 LEU A 119 -4.889 37.342 3.196 1.00 33.43 H new ATOM 0 HB3 LEU A 119 -4.511 36.072 2.049 1.00 33.43 H new ATOM 0 HG LEU A 119 -5.249 37.960 0.810 1.00 41.24 H new ATOM 0 HD11 LEU A 119 -7.245 37.094 -0.345 1.00 75.31 H new ATOM 0 HD12 LEU A 119 -6.063 35.806 -0.013 1.00 75.31 H new ATOM 0 HD13 LEU A 119 -7.521 35.956 0.995 1.00 75.31 H new ATOM 0 HD21 LEU A 119 -7.440 39.031 1.170 1.00 43.45 H new ATOM 0 HD22 LEU A 119 -7.723 37.970 2.570 1.00 43.45 H new ATOM 0 HD23 LEU A 119 -6.398 39.158 2.607 1.00 43.45 H new ATOM 1819 N ARG A 120 -4.996 33.597 2.992 1.00 33.13 N ATOM 1820 CA ARG A 120 -4.759 32.246 2.498 1.00 31.12 C ATOM 1821 C ARG A 120 -5.886 31.307 2.919 1.00 11.44 C ATOM 1822 O ARG A 120 -6.344 30.479 2.132 1.00 30.13 O ATOM 1823 CB ARG A 120 -3.420 31.718 3.017 1.00 35.13 C ATOM 1824 CG ARG A 120 -2.571 31.055 1.946 1.00 63.51 C ATOM 1825 CD ARG A 120 -1.747 32.076 1.176 1.00 34.44 C ATOM 1826 NE ARG A 120 -0.421 31.567 0.839 1.00 25.04 N ATOM 1827 CZ ARG A 120 0.334 32.068 -0.133 1.00 14.15 C ATOM 1828 NH1 ARG A 120 -0.106 33.086 -0.859 1.00 50.22 N ATOM 1829 NH2 ARG A 120 1.531 31.551 -0.379 1.00 15.01 N ATOM 0 H ARG A 120 -4.250 33.968 3.581 1.00 33.13 H new ATOM 0 HA ARG A 120 -4.729 32.284 1.409 1.00 31.12 H new ATOM 0 HB2 ARG A 120 -2.859 32.543 3.454 1.00 35.13 H new ATOM 0 HB3 ARG A 120 -3.607 31.001 3.816 1.00 35.13 H new ATOM 0 HG2 ARG A 120 -1.907 30.324 2.407 1.00 63.51 H new ATOM 0 HG3 ARG A 120 -3.215 30.510 1.255 1.00 63.51 H new ATOM 0 HD2 ARG A 120 -2.273 32.351 0.262 1.00 34.44 H new ATOM 0 HD3 ARG A 120 -1.646 32.984 1.771 1.00 34.44 H new ATOM 0 HE ARG A 120 -0.054 30.784 1.379 1.00 25.04 H new ATOM 0 HH11 ARG A 120 -1.025 33.486 -0.672 1.00 50.22 H new ATOM 0 HH12 ARG A 120 0.475 33.469 -1.605 1.00 50.22 H new ATOM 0 HH21 ARG A 120 1.873 30.768 0.178 1.00 15.01 H new ATOM 0 HH22 ARG A 120 2.109 31.937 -1.125 1.00 15.01 H new ATOM 1843 N ARG A 121 -6.328 31.443 4.165 1.00 2.25 N ATOM 1844 CA ARG A 121 -7.400 30.607 4.692 1.00 64.44 C ATOM 1845 C ARG A 121 -8.716 30.897 3.977 1.00 33.32 C ATOM 1846 O ARG A 121 -9.491 29.985 3.688 1.00 44.25 O ATOM 1847 CB ARG A 121 -7.562 30.835 6.196 1.00 61.34 C ATOM 1848 CG ARG A 121 -8.252 29.687 6.915 1.00 52.24 C ATOM 1849 CD ARG A 121 -8.517 30.023 8.374 1.00 41.01 C ATOM 1850 NE ARG A 121 -9.737 30.808 8.542 1.00 2.14 N ATOM 1851 CZ ARG A 121 -10.336 30.994 9.714 1.00 64.45 C ATOM 1852 NH1 ARG A 121 -9.829 30.454 10.814 1.00 73.45 N ATOM 1853 NH2 ARG A 121 -11.443 31.721 9.786 1.00 1.11 N ATOM 0 H ARG A 121 -5.960 32.125 4.829 1.00 2.25 H new ATOM 0 HA ARG A 121 -7.133 29.565 4.517 1.00 64.44 H new ATOM 0 HB2 ARG A 121 -6.579 30.992 6.639 1.00 61.34 H new ATOM 0 HB3 ARG A 121 -8.133 31.749 6.357 1.00 61.34 H new ATOM 0 HG2 ARG A 121 -9.194 29.457 6.416 1.00 52.24 H new ATOM 0 HG3 ARG A 121 -7.632 28.792 6.853 1.00 52.24 H new ATOM 0 HD2 ARG A 121 -8.597 29.101 8.950 1.00 41.01 H new ATOM 0 HD3 ARG A 121 -7.670 30.578 8.778 1.00 41.01 H new ATOM 0 HE ARG A 121 -10.152 31.237 7.715 1.00 2.14 H new ATOM 0 HH11 ARG A 121 -8.978 29.895 10.762 1.00 73.45 H new ATOM 0 HH12 ARG A 121 -10.290 30.598 11.712 1.00 73.45 H new ATOM 0 HH21 ARG A 121 -11.835 32.138 8.942 1.00 1.11 H new ATOM 0 HH22 ARG A 121 -11.902 31.863 10.686 1.00 1.11 H new ATOM 1867 N ALA A 122 -8.963 32.172 3.697 1.00 40.20 N ATOM 1868 CA ALA A 122 -10.185 32.582 3.016 1.00 44.23 C ATOM 1869 C ALA A 122 -10.197 32.096 1.570 1.00 5.33 C ATOM 1870 O ALA A 122 -11.205 31.581 1.087 1.00 22.01 O ATOM 1871 CB ALA A 122 -10.335 34.095 3.067 1.00 11.40 C ATOM 0 H ALA A 122 -8.333 32.939 3.931 1.00 40.20 H new ATOM 0 HA ALA A 122 -11.030 32.126 3.532 1.00 44.23 H new ATOM 0 HB1 ALA A 122 -11.252 34.387 2.555 1.00 11.40 H new ATOM 0 HB2 ALA A 122 -10.380 34.421 4.106 1.00 11.40 H new ATOM 0 HB3 ALA A 122 -9.481 34.562 2.577 1.00 11.40 H new ATOM 1877 N ARG A 123 -9.070 32.264 0.885 1.00 53.40 N ATOM 1878 CA ARG A 123 -8.953 31.844 -0.506 1.00 44.51 C ATOM 1879 C ARG A 123 -9.358 30.382 -0.669 1.00 0.41 C ATOM 1880 O ARG A 123 -10.208 30.050 -1.496 1.00 12.34 O ATOM 1881 CB ARG A 123 -7.520 32.046 -1.002 1.00 65.33 C ATOM 1882 CG ARG A 123 -7.356 31.825 -2.497 1.00 40.22 C ATOM 1883 CD ARG A 123 -7.445 33.134 -3.266 1.00 64.04 C ATOM 1884 NE ARG A 123 -6.398 33.246 -4.279 1.00 74.52 N ATOM 1885 CZ ARG A 123 -5.116 33.437 -3.993 1.00 5.13 C ATOM 1886 NH1 ARG A 123 -4.723 33.537 -2.730 1.00 44.54 N ATOM 1887 NH2 ARG A 123 -4.223 33.528 -4.970 1.00 4.20 N ATOM 0 H ARG A 123 -8.226 32.688 1.271 1.00 53.40 H new ATOM 0 HA ARG A 123 -9.627 32.458 -1.103 1.00 44.51 H new ATOM 0 HB2 ARG A 123 -7.198 33.058 -0.755 1.00 65.33 H new ATOM 0 HB3 ARG A 123 -6.860 31.363 -0.468 1.00 65.33 H new ATOM 0 HG2 ARG A 123 -6.394 31.351 -2.693 1.00 40.22 H new ATOM 0 HG3 ARG A 123 -8.126 31.140 -2.851 1.00 40.22 H new ATOM 0 HD2 ARG A 123 -8.422 33.208 -3.744 1.00 64.04 H new ATOM 0 HD3 ARG A 123 -7.367 33.969 -2.570 1.00 64.04 H new ATOM 0 HE ARG A 123 -6.667 33.173 -5.260 1.00 74.52 H new ATOM 0 HH11 ARG A 123 -5.407 33.467 -1.976 1.00 44.54 H new ATOM 0 HH12 ARG A 123 -3.737 33.684 -2.513 1.00 44.54 H new ATOM 0 HH21 ARG A 123 -4.521 33.451 -5.942 1.00 4.20 H new ATOM 0 HH22 ARG A 123 -3.238 33.675 -4.749 1.00 4.20 H new ATOM 1901 N THR A 124 -8.743 29.511 0.125 1.00 13.23 N ATOM 1902 CA THR A 124 -9.038 28.085 0.069 1.00 53.15 C ATOM 1903 C THR A 124 -10.456 27.797 0.549 1.00 51.32 C ATOM 1904 O THR A 124 -11.071 26.811 0.143 1.00 41.12 O ATOM 1905 CB THR A 124 -8.045 27.272 0.920 1.00 71.32 C ATOM 1906 OG1 THR A 124 -8.248 25.871 0.704 1.00 31.34 O ATOM 1907 CG2 THR A 124 -8.210 27.592 2.398 1.00 73.13 C ATOM 0 H THR A 124 -8.037 29.769 0.815 1.00 13.23 H new ATOM 0 HA THR A 124 -8.943 27.784 -0.974 1.00 53.15 H new ATOM 0 HB THR A 124 -7.034 27.543 0.617 1.00 71.32 H new ATOM 0 HG1 THR A 124 -7.612 25.361 1.247 1.00 31.34 H new ATOM 0 HG21 THR A 124 -7.498 27.006 2.979 1.00 73.13 H new ATOM 0 HG22 THR A 124 -8.026 28.654 2.563 1.00 73.13 H new ATOM 0 HG23 THR A 124 -9.224 27.346 2.712 1.00 73.13 H new ATOM 1915 N ARG A 125 -10.970 28.665 1.415 1.00 60.41 N ATOM 1916 CA ARG A 125 -12.316 28.503 1.951 1.00 71.33 C ATOM 1917 C ARG A 125 -13.356 28.564 0.836 1.00 71.32 C ATOM 1918 O ARG A 125 -14.208 27.683 0.718 1.00 63.51 O ATOM 1919 CB ARG A 125 -12.607 29.584 2.993 1.00 25.13 C ATOM 1920 CG ARG A 125 -13.865 29.324 3.806 1.00 45.32 C ATOM 1921 CD ARG A 125 -14.845 30.482 3.699 1.00 33.42 C ATOM 1922 NE ARG A 125 -14.333 31.694 4.333 1.00 64.45 N ATOM 1923 CZ ARG A 125 -15.043 32.808 4.469 1.00 25.01 C ATOM 1924 NH1 ARG A 125 -16.289 32.863 4.019 1.00 4.54 N ATOM 1925 NH2 ARG A 125 -14.506 33.870 5.057 1.00 72.21 N ATOM 0 H ARG A 125 -10.475 29.487 1.760 1.00 60.41 H new ATOM 0 HA ARG A 125 -12.375 27.524 2.427 1.00 71.33 H new ATOM 0 HB2 ARG A 125 -11.757 29.662 3.670 1.00 25.13 H new ATOM 0 HB3 ARG A 125 -12.703 30.546 2.489 1.00 25.13 H new ATOM 0 HG2 ARG A 125 -14.342 28.408 3.457 1.00 45.32 H new ATOM 0 HG3 ARG A 125 -13.598 29.167 4.851 1.00 45.32 H new ATOM 0 HD2 ARG A 125 -15.054 30.683 2.648 1.00 33.42 H new ATOM 0 HD3 ARG A 125 -15.790 30.201 4.164 1.00 33.42 H new ATOM 0 HE ARG A 125 -13.378 31.684 4.691 1.00 64.45 H new ATOM 0 HH11 ARG A 125 -16.704 32.048 3.567 1.00 4.54 H new ATOM 0 HH12 ARG A 125 -16.832 33.720 4.125 1.00 4.54 H new ATOM 0 HH21 ARG A 125 -13.548 33.831 5.404 1.00 72.21 H new ATOM 0 HH22 ARG A 125 -15.052 34.726 5.161 1.00 72.21 H new ATOM 1939 N VAL A 126 -13.281 29.610 0.020 1.00 42.42 N ATOM 1940 CA VAL A 126 -14.215 29.787 -1.086 1.00 23.51 C ATOM 1941 C VAL A 126 -13.964 28.761 -2.186 1.00 5.40 C ATOM 1942 O VAL A 126 -14.888 28.347 -2.884 1.00 33.33 O ATOM 1943 CB VAL A 126 -14.114 31.202 -1.685 1.00 71.34 C ATOM 1944 CG1 VAL A 126 -12.689 31.494 -2.129 1.00 22.02 C ATOM 1945 CG2 VAL A 126 -15.085 31.358 -2.846 1.00 40.40 C ATOM 0 H VAL A 126 -12.583 30.349 0.104 1.00 42.42 H new ATOM 0 HA VAL A 126 -15.217 29.643 -0.681 1.00 23.51 H new ATOM 0 HB VAL A 126 -14.384 31.924 -0.915 1.00 71.34 H new ATOM 0 HG11 VAL A 126 -12.638 32.498 -2.550 1.00 22.02 H new ATOM 0 HG12 VAL A 126 -12.019 31.425 -1.272 1.00 22.02 H new ATOM 0 HG13 VAL A 126 -12.387 30.768 -2.884 1.00 22.02 H new ATOM 0 HG21 VAL A 126 -15.001 32.364 -3.258 1.00 40.40 H new ATOM 0 HG22 VAL A 126 -14.847 30.628 -3.620 1.00 40.40 H new ATOM 0 HG23 VAL A 126 -16.103 31.194 -2.493 1.00 40.40 H new ATOM 1955 N GLU A 127 -12.706 28.357 -2.334 1.00 61.43 N ATOM 1956 CA GLU A 127 -12.334 27.379 -3.351 1.00 5.55 C ATOM 1957 C GLU A 127 -12.945 26.015 -3.044 1.00 3.35 C ATOM 1958 O GLU A 127 -13.467 25.343 -3.932 1.00 43.13 O ATOM 1959 CB GLU A 127 -10.811 27.260 -3.441 1.00 22.42 C ATOM 1960 CG GLU A 127 -10.341 26.169 -4.389 1.00 12.10 C ATOM 1961 CD GLU A 127 -10.663 26.478 -5.838 1.00 60.23 C ATOM 1962 OE1 GLU A 127 -10.917 27.660 -6.150 1.00 13.20 O ATOM 1963 OE2 GLU A 127 -10.661 25.538 -6.660 1.00 62.13 O ATOM 0 H GLU A 127 -11.929 28.691 -1.764 1.00 61.43 H new ATOM 0 HA GLU A 127 -12.722 27.723 -4.310 1.00 5.55 H new ATOM 0 HB2 GLU A 127 -10.399 28.215 -3.767 1.00 22.42 H new ATOM 0 HB3 GLU A 127 -10.411 27.063 -2.446 1.00 22.42 H new ATOM 0 HG2 GLU A 127 -9.265 26.037 -4.280 1.00 12.10 H new ATOM 0 HG3 GLU A 127 -10.808 25.224 -4.110 1.00 12.10 H new ATOM 1970 N ALA A 128 -12.875 25.613 -1.779 1.00 3.33 N ATOM 1971 CA ALA A 128 -13.422 24.331 -1.353 1.00 62.03 C ATOM 1972 C ALA A 128 -14.941 24.395 -1.234 1.00 23.41 C ATOM 1973 O ALA A 128 -15.642 23.452 -1.602 1.00 2.12 O ATOM 1974 CB ALA A 128 -12.804 23.907 -0.029 1.00 64.54 C ATOM 0 H ALA A 128 -12.445 26.157 -1.031 1.00 3.33 H new ATOM 0 HA ALA A 128 -13.174 23.588 -2.111 1.00 62.03 H new ATOM 0 HB1 ALA A 128 -13.222 22.948 0.277 1.00 64.54 H new ATOM 0 HB2 ALA A 128 -11.724 23.812 -0.145 1.00 64.54 H new ATOM 0 HB3 ALA A 128 -13.022 24.657 0.731 1.00 64.54 H new ATOM 1980 N SER A 129 -15.443 25.511 -0.717 1.00 2.33 N ATOM 1981 CA SER A 129 -16.879 25.696 -0.545 1.00 20.35 C ATOM 1982 C SER A 129 -17.580 25.793 -1.896 1.00 71.51 C ATOM 1983 O SER A 129 -18.732 25.385 -2.040 1.00 41.45 O ATOM 1984 CB SER A 129 -17.158 26.955 0.279 1.00 61.42 C ATOM 1985 OG SER A 129 -18.529 27.044 0.625 1.00 31.03 O ATOM 0 H SER A 129 -14.876 26.301 -0.410 1.00 2.33 H new ATOM 0 HA SER A 129 -17.271 24.829 -0.014 1.00 20.35 H new ATOM 0 HB2 SER A 129 -16.551 26.943 1.184 1.00 61.42 H new ATOM 0 HB3 SER A 129 -16.865 27.838 -0.289 1.00 61.42 H new ATOM 0 HG SER A 129 -18.681 27.856 1.152 1.00 31.03 H new ATOM 1991 N ASN A 130 -16.875 26.335 -2.884 1.00 13.24 N ATOM 1992 CA ASN A 130 -17.429 26.487 -4.224 1.00 72.12 C ATOM 1993 C ASN A 130 -16.498 25.881 -5.270 1.00 5.25 C ATOM 1994 O ASN A 130 -16.227 26.491 -6.305 1.00 30.31 O ATOM 1995 CB ASN A 130 -17.670 27.966 -4.535 1.00 21.41 C ATOM 1996 CG ASN A 130 -18.525 28.165 -5.772 1.00 23.14 C ATOM 1997 OD1 ASN A 130 -19.631 27.633 -5.868 1.00 23.24 O ATOM 1998 ND2 ASN A 130 -18.014 28.934 -6.726 1.00 11.52 N ATOM 0 H ASN A 130 -15.919 26.676 -2.782 1.00 13.24 H new ATOM 0 HA ASN A 130 -18.380 25.956 -4.259 1.00 72.12 H new ATOM 0 HB2 ASN A 130 -18.155 28.440 -3.681 1.00 21.41 H new ATOM 0 HB3 ASN A 130 -16.712 28.466 -4.675 1.00 21.41 H new ATOM 0 HD21 ASN A 130 -18.543 29.104 -7.582 1.00 11.52 H new ATOM 0 HD22 ASN A 130 -17.093 29.355 -6.603 1.00 11.52 H new ATOM 2005 N THR A 131 -16.009 24.676 -4.992 1.00 10.21 N ATOM 2006 CA THR A 131 -15.107 23.988 -5.907 1.00 35.43 C ATOM 2007 C THR A 131 -15.735 23.837 -7.288 1.00 31.03 C ATOM 2008 O THR A 131 -15.139 24.219 -8.295 1.00 54.34 O ATOM 2009 CB THR A 131 -14.724 22.594 -5.375 1.00 32.33 C ATOM 2010 OG1 THR A 131 -14.355 22.681 -3.994 1.00 34.22 O ATOM 2011 CG2 THR A 131 -13.572 22.007 -6.176 1.00 74.54 C ATOM 0 H THR A 131 -16.223 24.157 -4.140 1.00 10.21 H new ATOM 0 HA THR A 131 -14.208 24.599 -5.984 1.00 35.43 H new ATOM 0 HB THR A 131 -15.589 21.939 -5.479 1.00 32.33 H new ATOM 0 HG1 THR A 131 -14.118 23.607 -3.776 1.00 34.22 H new ATOM 0 HG21 THR A 131 -13.319 21.023 -5.782 1.00 74.54 H new ATOM 0 HG22 THR A 131 -13.866 21.915 -7.222 1.00 74.54 H new ATOM 0 HG23 THR A 131 -12.704 22.662 -6.099 1.00 74.54 H new ATOM 2019 N ILE A 132 -16.940 23.279 -7.327 1.00 72.21 N ATOM 2020 CA ILE A 132 -17.649 23.080 -8.585 1.00 63.03 C ATOM 2021 C ILE A 132 -19.158 23.047 -8.367 1.00 44.34 C ATOM 2022 O ILE A 132 -19.699 22.073 -7.844 1.00 43.31 O ATOM 2023 CB ILE A 132 -17.213 21.775 -9.277 1.00 21.54 C ATOM 2024 CG1 ILE A 132 -17.196 20.621 -8.272 1.00 25.14 C ATOM 2025 CG2 ILE A 132 -15.844 21.946 -9.918 1.00 1.32 C ATOM 2026 CD1 ILE A 132 -17.917 19.384 -8.759 1.00 52.01 C ATOM 0 H ILE A 132 -17.446 22.957 -6.502 1.00 72.21 H new ATOM 0 HA ILE A 132 -17.395 23.924 -9.226 1.00 63.03 H new ATOM 0 HB ILE A 132 -17.932 21.539 -10.061 1.00 21.54 H new ATOM 0 HG12 ILE A 132 -16.162 20.363 -8.045 1.00 25.14 H new ATOM 0 HG13 ILE A 132 -17.653 20.955 -7.340 1.00 25.14 H new ATOM 0 HG21 ILE A 132 -15.550 21.015 -10.403 1.00 1.32 H new ATOM 0 HG22 ILE A 132 -15.887 22.744 -10.660 1.00 1.32 H new ATOM 0 HG23 ILE A 132 -15.113 22.202 -9.151 1.00 1.32 H new ATOM 0 HD11 ILE A 132 -17.864 18.608 -7.996 1.00 52.01 H new ATOM 0 HD12 ILE A 132 -18.961 19.626 -8.959 1.00 52.01 H new ATOM 0 HD13 ILE A 132 -17.446 19.025 -9.674 1.00 52.01 H new ATOM 2038 N SER A 133 -19.832 24.118 -8.774 1.00 10.21 N ATOM 2039 CA SER A 133 -21.279 24.214 -8.621 1.00 71.55 C ATOM 2040 C SER A 133 -21.987 23.856 -9.925 1.00 33.55 C ATOM 2041 O SER A 133 -21.528 24.208 -11.011 1.00 10.33 O ATOM 2042 CB SER A 133 -21.675 25.625 -8.184 1.00 31.14 C ATOM 2043 OG SER A 133 -22.334 25.604 -6.929 1.00 75.54 O ATOM 0 H SER A 133 -19.399 24.931 -9.212 1.00 10.21 H new ATOM 0 HA SER A 133 -21.586 23.504 -7.853 1.00 71.55 H new ATOM 0 HB2 SER A 133 -20.786 26.253 -8.121 1.00 31.14 H new ATOM 0 HB3 SER A 133 -22.328 26.072 -8.934 1.00 31.14 H new ATOM 0 HG SER A 133 -22.575 26.518 -6.671 1.00 75.54 H new ATOM 2049 N SER A 134 -23.109 23.152 -9.807 1.00 51.21 N ATOM 2050 CA SER A 134 -23.880 22.742 -10.975 1.00 10.20 C ATOM 2051 C SER A 134 -24.762 23.884 -11.472 1.00 31.33 C ATOM 2052 O SER A 134 -25.906 24.029 -11.043 1.00 44.10 O ATOM 2053 CB SER A 134 -24.743 21.524 -10.641 1.00 10.03 C ATOM 2054 OG SER A 134 -25.041 20.775 -11.806 1.00 72.01 O ATOM 0 H SER A 134 -23.504 22.854 -8.915 1.00 51.21 H new ATOM 0 HA SER A 134 -23.180 22.476 -11.767 1.00 10.20 H new ATOM 0 HB2 SER A 134 -24.222 20.892 -9.922 1.00 10.03 H new ATOM 0 HB3 SER A 134 -25.669 21.850 -10.167 1.00 10.03 H new ATOM 0 HG SER A 134 -25.592 20.001 -11.565 1.00 72.01 H new