USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 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 58 SER OG : rot 145:sc= 1.11 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 175:sc= 1.29 (180deg=0) USER MOD Set 2.1: A 36 GLN : amide:sc= -0.372 X(o=-0.41,f=0) USER MOD Set 2.2: A 43 LYS NZ :NH3+ -143:sc= -0.0403 (180deg=-0.437) USER MOD Set 3.1: A 24 ASN : amide:sc= 0.59 K(o=1.3,f=-0.95) USER MOD Set 3.2: A 28 GLN : amide:sc= 0.736 K(o=1.3,f=-0.045) USER MOD Set 4.1: A 15 CYS SG : rot 180:sc= 0.699 USER MOD Set 4.2: A 18 CYS SG : rot 128:sc= 0.376 USER MOD Single : A 6 TYR OH : rot 106:sc= 0.775 USER MOD Single : A 7 SER OG : rot -101:sc= 1.27 USER MOD Single : A 9 LYS NZ :NH3+ -167:sc=-0.00984 (180deg=-0.17) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -165:sc= -0.96 (180deg=-1.51) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.96 X(o=-0.96,f=-0.48) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0448 X(o=-0.045,f=-0.0074) USER MOD Single : A 55 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.48) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.174 -2.808 11.912 1.00 0.44 N ATOM 34 CA ARG A 5 2.652 -2.335 10.650 1.00 0.47 C ATOM 35 C ARG A 5 2.849 -3.544 9.750 1.00 0.34 C ATOM 36 O ARG A 5 3.535 -4.523 10.052 1.00 0.53 O ATOM 37 CB ARG A 5 3.876 -1.438 10.819 1.00 0.91 C ATOM 38 CG ARG A 5 5.220 -2.152 10.711 1.00 1.03 C ATOM 39 CD ARG A 5 5.664 -2.418 9.251 1.00 0.71 C ATOM 40 NE ARG A 5 7.088 -2.777 9.180 1.00 0.82 N ATOM 41 CZ ARG A 5 8.103 -1.915 9.342 1.00 1.77 C ATOM 42 NH1 ARG A 5 7.848 -0.623 9.583 1.00 3.36 N ATOM 43 NH2 ARG A 5 9.367 -2.348 9.264 1.00 1.81 N ATOM 0 HA ARG A 5 1.928 -1.682 10.163 1.00 0.47 H new ATOM 0 HB2 ARG A 5 3.838 -0.652 10.065 1.00 0.91 H new ATOM 0 HB3 ARG A 5 3.818 -0.950 11.792 1.00 0.91 H new ATOM 0 HG2 ARG A 5 5.982 -1.553 11.210 1.00 1.03 H new ATOM 0 HG3 ARG A 5 5.162 -3.101 11.243 1.00 1.03 H new ATOM 0 HD2 ARG A 5 5.063 -3.222 8.827 1.00 0.71 H new ATOM 0 HD3 ARG A 5 5.480 -1.530 8.646 1.00 0.71 H new ATOM 0 HE ARG A 5 7.321 -3.752 8.994 1.00 0.82 H new ATOM 0 HH11 ARG A 5 6.884 -0.296 9.643 1.00 3.36 H new ATOM 0 HH12 ARG A 5 8.618 0.034 9.707 1.00 3.36 H new ATOM 0 HH21 ARG A 5 9.558 -3.333 9.081 1.00 1.81 H new ATOM 0 HH22 ARG A 5 10.139 -1.693 9.387 1.00 1.81 H new ATOM 57 N TYR A 6 2.213 -3.447 8.603 1.00 0.31 N ATOM 58 CA TYR A 6 2.300 -4.398 7.518 1.00 0.27 C ATOM 59 C TYR A 6 3.290 -3.924 6.453 1.00 0.42 C ATOM 60 O TYR A 6 3.810 -2.816 6.573 1.00 0.94 O ATOM 61 CB TYR A 6 0.910 -4.462 6.927 1.00 0.32 C ATOM 62 CG TYR A 6 -0.234 -4.536 7.910 1.00 0.54 C ATOM 63 CD1 TYR A 6 -0.156 -5.367 9.041 1.00 1.59 C ATOM 64 CD2 TYR A 6 -1.396 -3.787 7.669 1.00 2.16 C ATOM 65 CE1 TYR A 6 -1.212 -5.374 9.972 1.00 1.62 C ATOM 66 CE2 TYR A 6 -2.465 -3.845 8.571 1.00 2.42 C ATOM 67 CZ TYR A 6 -2.308 -4.512 9.795 1.00 1.36 C ATOM 68 OH TYR A 6 -3.221 -4.340 10.793 1.00 2.04 O ATOM 0 H TYR A 6 1.592 -2.666 8.392 1.00 0.31 H new ATOM 0 HA TYR A 6 2.648 -5.369 7.871 1.00 0.27 H new ATOM 0 HB2 TYR A 6 0.765 -3.583 6.299 1.00 0.32 H new ATOM 0 HB3 TYR A 6 0.856 -5.333 6.274 1.00 0.32 H new ATOM 0 HD1 TYR A 6 0.708 -5.996 9.195 1.00 1.59 H new ATOM 0 HD2 TYR A 6 -1.466 -3.166 6.788 1.00 2.16 H new ATOM 0 HE1 TYR A 6 -1.180 -6.041 10.821 1.00 1.62 H new ATOM 0 HE2 TYR A 6 -3.407 -3.378 8.325 1.00 2.42 H new ATOM 0 HH TYR A 6 -3.088 -3.463 11.210 1.00 2.04 H new ATOM 78 N SER A 7 3.529 -4.718 5.399 1.00 0.20 N ATOM 79 CA SER A 7 4.333 -4.296 4.254 1.00 0.18 C ATOM 80 C SER A 7 3.953 -5.071 2.991 1.00 0.14 C ATOM 81 O SER A 7 3.485 -6.209 3.077 1.00 0.16 O ATOM 82 CB SER A 7 5.829 -4.428 4.604 1.00 0.28 C ATOM 83 OG SER A 7 6.678 -3.759 3.687 1.00 1.49 O ATOM 0 H SER A 7 3.169 -5.669 5.321 1.00 0.20 H new ATOM 0 HA SER A 7 4.129 -3.248 4.034 1.00 0.18 H new ATOM 0 HB2 SER A 7 5.998 -4.028 5.604 1.00 0.28 H new ATOM 0 HB3 SER A 7 6.097 -5.484 4.633 1.00 0.28 H new ATOM 0 HG SER A 7 7.061 -4.409 3.062 1.00 1.49 H new ATOM 89 N TRP A 8 4.150 -4.435 1.829 1.00 0.15 N ATOM 90 CA TRP A 8 4.007 -5.011 0.502 1.00 0.17 C ATOM 91 C TRP A 8 5.165 -4.553 -0.372 1.00 0.21 C ATOM 92 O TRP A 8 5.528 -3.379 -0.336 1.00 0.22 O ATOM 93 CB TRP A 8 2.678 -4.590 -0.142 1.00 0.23 C ATOM 94 CG TRP A 8 1.510 -5.097 0.629 1.00 0.19 C ATOM 95 CD1 TRP A 8 0.961 -6.327 0.553 1.00 0.31 C ATOM 96 CD2 TRP A 8 0.840 -4.501 1.754 1.00 0.22 C ATOM 97 NE1 TRP A 8 0.330 -6.595 1.769 1.00 0.32 N ATOM 98 CE2 TRP A 8 0.531 -5.535 2.650 1.00 0.30 C ATOM 99 CE3 TRP A 8 0.404 -3.239 2.179 1.00 0.37 C ATOM 100 CZ2 TRP A 8 0.277 -5.149 3.984 1.00 0.45 C ATOM 101 CZ3 TRP A 8 -0.704 -3.250 3.070 1.00 0.42 C ATOM 102 CH2 TRP A 8 -0.614 -4.090 4.159 1.00 0.44 C ATOM 0 H TRP A 8 4.428 -3.454 1.797 1.00 0.15 H new ATOM 0 HA TRP A 8 4.014 -6.097 0.593 1.00 0.17 H new ATOM 0 HB2 TRP A 8 2.631 -3.503 -0.202 1.00 0.23 H new ATOM 0 HB3 TRP A 8 2.632 -4.968 -1.163 1.00 0.23 H new ATOM 0 HD1 TRP A 8 1.002 -6.989 -0.300 1.00 0.31 H new ATOM 0 HE1 TRP A 8 -0.199 -7.441 1.981 1.00 0.32 H new ATOM 0 HE3 TRP A 8 0.876 -2.324 1.853 1.00 0.37 H new ATOM 0 HZ2 TRP A 8 0.746 -5.645 4.821 1.00 0.45 H new ATOM 0 HZ3 TRP A 8 -1.573 -2.631 2.902 1.00 0.42 H new ATOM 0 HH2 TRP A 8 -1.182 -3.942 5.066 1.00 0.44 H new ATOM 113 N LYS A 9 5.656 -5.467 -1.209 1.00 0.26 N ATOM 114 CA LYS A 9 6.606 -5.198 -2.281 1.00 0.29 C ATOM 115 C LYS A 9 5.793 -5.088 -3.556 1.00 0.33 C ATOM 116 O LYS A 9 5.004 -5.983 -3.857 1.00 0.40 O ATOM 117 CB LYS A 9 7.670 -6.304 -2.372 1.00 0.41 C ATOM 118 CG LYS A 9 7.109 -7.737 -2.359 1.00 0.69 C ATOM 119 CD LYS A 9 8.207 -8.779 -2.098 1.00 0.73 C ATOM 120 CE LYS A 9 9.107 -9.040 -3.312 1.00 1.16 C ATOM 121 NZ LYS A 9 8.368 -9.661 -4.428 1.00 2.76 N ATOM 0 H LYS A 9 5.391 -6.451 -1.154 1.00 0.26 H new ATOM 0 HA LYS A 9 7.157 -4.275 -2.098 1.00 0.29 H new ATOM 0 HB2 LYS A 9 8.245 -6.162 -3.287 1.00 0.41 H new ATOM 0 HB3 LYS A 9 8.363 -6.192 -1.539 1.00 0.41 H new ATOM 0 HG2 LYS A 9 6.340 -7.819 -1.590 1.00 0.69 H new ATOM 0 HG3 LYS A 9 6.628 -7.947 -3.314 1.00 0.69 H new ATOM 0 HD2 LYS A 9 8.824 -8.443 -1.264 1.00 0.73 H new ATOM 0 HD3 LYS A 9 7.742 -9.716 -1.793 1.00 0.73 H new ATOM 0 HE2 LYS A 9 9.545 -8.100 -3.647 1.00 1.16 H new ATOM 0 HE3 LYS A 9 9.932 -9.689 -3.018 1.00 1.16 H new ATOM 0 HZ1 LYS A 9 9.042 -10.019 -5.134 1.00 2.76 H new ATOM 0 HZ2 LYS A 9 7.793 -10.449 -4.068 1.00 2.76 H new ATOM 0 HZ3 LYS A 9 7.747 -8.953 -4.870 1.00 2.76 H new ATOM 135 N VAL A 10 5.970 -3.977 -4.268 1.00 0.50 N ATOM 136 CA VAL A 10 5.324 -3.687 -5.535 1.00 0.57 C ATOM 137 C VAL A 10 6.320 -4.018 -6.653 1.00 0.77 C ATOM 138 O VAL A 10 7.424 -4.490 -6.386 1.00 1.86 O ATOM 139 CB VAL A 10 4.812 -2.231 -5.540 1.00 0.83 C ATOM 140 CG1 VAL A 10 4.123 -1.874 -4.214 1.00 1.55 C ATOM 141 CG2 VAL A 10 5.959 -1.249 -5.761 1.00 2.63 C ATOM 0 H VAL A 10 6.592 -3.229 -3.962 1.00 0.50 H new ATOM 0 HA VAL A 10 4.438 -4.300 -5.698 1.00 0.57 H new ATOM 0 HB VAL A 10 4.094 -2.155 -6.356 1.00 0.83 H new ATOM 0 HG11 VAL A 10 3.774 -0.842 -4.251 1.00 1.55 H new ATOM 0 HG12 VAL A 10 3.274 -2.538 -4.055 1.00 1.55 H new ATOM 0 HG13 VAL A 10 4.831 -1.988 -3.394 1.00 1.55 H new ATOM 0 HG21 VAL A 10 5.571 -0.230 -5.760 1.00 2.63 H new ATOM 0 HG22 VAL A 10 6.691 -1.359 -4.961 1.00 2.63 H new ATOM 0 HG23 VAL A 10 6.435 -1.455 -6.720 1.00 2.63 H new ATOM 151 N SER A 11 5.934 -3.790 -7.906 1.00 0.54 N ATOM 152 CA SER A 11 6.829 -3.920 -9.047 1.00 0.46 C ATOM 153 C SER A 11 6.303 -2.992 -10.135 1.00 0.51 C ATOM 154 O SER A 11 5.792 -3.460 -11.151 1.00 1.00 O ATOM 155 CB SER A 11 6.890 -5.388 -9.494 1.00 0.74 C ATOM 156 OG SER A 11 7.739 -5.539 -10.614 1.00 1.72 O ATOM 0 H SER A 11 4.986 -3.509 -8.157 1.00 0.54 H new ATOM 0 HA SER A 11 7.852 -3.634 -8.801 1.00 0.46 H new ATOM 0 HB2 SER A 11 7.251 -6.008 -8.673 1.00 0.74 H new ATOM 0 HB3 SER A 11 5.888 -5.739 -9.742 1.00 0.74 H new ATOM 0 HG SER A 11 7.764 -6.482 -10.881 1.00 1.72 H new ATOM 162 N GLY A 12 6.371 -1.679 -9.892 1.00 0.56 N ATOM 163 CA GLY A 12 5.737 -0.706 -10.770 1.00 0.63 C ATOM 164 C GLY A 12 5.805 0.721 -10.223 1.00 0.70 C ATOM 165 O GLY A 12 5.960 1.663 -10.991 1.00 1.41 O ATOM 0 H GLY A 12 6.859 -1.272 -9.094 1.00 0.56 H new ATOM 0 HA2 GLY A 12 6.218 -0.738 -11.748 1.00 0.63 H new ATOM 0 HA3 GLY A 12 4.693 -0.984 -10.919 1.00 0.63 H new ATOM 169 N MET A 13 5.641 0.894 -8.908 1.00 0.42 N ATOM 170 CA MET A 13 5.488 2.211 -8.299 1.00 0.40 C ATOM 171 C MET A 13 6.788 3.027 -8.369 1.00 0.39 C ATOM 172 O MET A 13 7.770 2.701 -7.704 1.00 0.55 O ATOM 173 CB MET A 13 5.004 2.047 -6.855 1.00 0.57 C ATOM 174 CG MET A 13 4.163 3.245 -6.416 1.00 1.54 C ATOM 175 SD MET A 13 4.030 3.491 -4.626 1.00 2.11 S ATOM 176 CE MET A 13 3.666 1.810 -4.081 1.00 2.08 C ATOM 0 H MET A 13 5.611 0.124 -8.240 1.00 0.42 H new ATOM 0 HA MET A 13 4.743 2.773 -8.862 1.00 0.40 H new ATOM 0 HB2 MET A 13 4.415 1.134 -6.767 1.00 0.57 H new ATOM 0 HB3 MET A 13 5.862 1.938 -6.191 1.00 0.57 H new ATOM 0 HG2 MET A 13 4.587 4.146 -6.858 1.00 1.54 H new ATOM 0 HG3 MET A 13 3.159 3.131 -6.825 1.00 1.54 H new ATOM 0 HE1 MET A 13 3.296 1.832 -3.056 1.00 2.08 H new ATOM 0 HE2 MET A 13 2.908 1.373 -4.731 1.00 2.08 H new ATOM 0 HE3 MET A 13 4.574 1.208 -4.126 1.00 2.08 H new ATOM 186 N ASP A 14 6.776 4.105 -9.154 1.00 0.41 N ATOM 187 CA ASP A 14 7.954 4.723 -9.747 1.00 0.46 C ATOM 188 C ASP A 14 8.004 6.256 -9.625 1.00 0.44 C ATOM 189 O ASP A 14 9.062 6.830 -9.876 1.00 0.51 O ATOM 190 CB ASP A 14 7.962 4.339 -11.235 1.00 0.56 C ATOM 191 CG ASP A 14 6.708 4.814 -11.978 1.00 0.60 C ATOM 192 OD1 ASP A 14 5.664 5.000 -11.315 1.00 1.19 O ATOM 193 OD2 ASP A 14 6.806 5.006 -13.206 1.00 1.19 O ATOM 0 H ASP A 14 5.912 4.587 -9.401 1.00 0.41 H new ATOM 0 HA ASP A 14 8.825 4.359 -9.203 1.00 0.46 H new ATOM 0 HB2 ASP A 14 8.845 4.766 -11.711 1.00 0.56 H new ATOM 0 HB3 ASP A 14 8.044 3.256 -11.326 1.00 0.56 H new ATOM 198 N CYS A 15 6.908 6.923 -9.235 1.00 0.41 N ATOM 199 CA CYS A 15 6.826 8.378 -9.144 1.00 0.43 C ATOM 200 C CYS A 15 6.158 8.773 -7.833 1.00 0.36 C ATOM 201 O CYS A 15 5.395 7.997 -7.260 1.00 0.34 O ATOM 202 CB CYS A 15 5.996 8.983 -10.290 1.00 0.51 C ATOM 203 SG CYS A 15 6.294 8.218 -11.902 1.00 0.71 S ATOM 0 H CYS A 15 6.042 6.453 -8.971 1.00 0.41 H new ATOM 0 HA CYS A 15 7.846 8.759 -9.203 1.00 0.43 H new ATOM 0 HB2 CYS A 15 4.938 8.890 -10.046 1.00 0.51 H new ATOM 0 HB3 CYS A 15 6.215 10.049 -10.360 1.00 0.51 H new ATOM 0 HG CYS A 15 5.549 8.793 -12.799 1.00 0.71 H new ATOM 208 N ALA A 16 6.357 10.026 -7.421 1.00 0.35 N ATOM 209 CA ALA A 16 5.692 10.583 -6.254 1.00 0.34 C ATOM 210 C ALA A 16 4.190 10.771 -6.506 1.00 0.27 C ATOM 211 O ALA A 16 3.379 10.658 -5.590 1.00 0.30 O ATOM 212 CB ALA A 16 6.345 11.916 -5.878 1.00 0.40 C ATOM 0 H ALA A 16 6.985 10.679 -7.890 1.00 0.35 H new ATOM 0 HA ALA A 16 5.801 9.883 -5.426 1.00 0.34 H new ATOM 0 HB1 ALA A 16 5.845 12.332 -5.003 1.00 0.40 H new ATOM 0 HB2 ALA A 16 7.399 11.754 -5.651 1.00 0.40 H new ATOM 0 HB3 ALA A 16 6.256 12.612 -6.712 1.00 0.40 H new ATOM 218 N ALA A 17 3.798 11.074 -7.747 1.00 0.23 N ATOM 219 CA ALA A 17 2.388 11.172 -8.108 1.00 0.22 C ATOM 220 C ALA A 17 1.718 9.806 -7.944 1.00 0.22 C ATOM 221 O ALA A 17 0.671 9.682 -7.306 1.00 0.24 O ATOM 222 CB ALA A 17 2.254 11.686 -9.544 1.00 0.25 C ATOM 0 H ALA A 17 4.442 11.255 -8.517 1.00 0.23 H new ATOM 0 HA ALA A 17 1.888 11.880 -7.447 1.00 0.22 H new ATOM 0 HB1 ALA A 17 1.199 11.757 -9.808 1.00 0.25 H new ATOM 0 HB2 ALA A 17 2.715 12.671 -9.622 1.00 0.25 H new ATOM 0 HB3 ALA A 17 2.753 10.997 -10.225 1.00 0.25 H new ATOM 228 N CYS A 18 2.357 8.785 -8.519 1.00 0.23 N ATOM 229 CA CYS A 18 1.975 7.390 -8.391 1.00 0.24 C ATOM 230 C CYS A 18 1.860 7.058 -6.898 1.00 0.21 C ATOM 231 O CYS A 18 0.801 6.636 -6.441 1.00 0.24 O ATOM 232 CB CYS A 18 2.982 6.519 -9.167 1.00 0.33 C ATOM 233 SG CYS A 18 3.051 7.096 -10.901 1.00 0.49 S ATOM 0 H CYS A 18 3.181 8.918 -9.105 1.00 0.23 H new ATOM 0 HA CYS A 18 1.000 7.183 -8.833 1.00 0.24 H new ATOM 0 HB2 CYS A 18 3.969 6.584 -8.708 1.00 0.33 H new ATOM 0 HB3 CYS A 18 2.682 5.472 -9.130 1.00 0.33 H new ATOM 0 HG CYS A 18 4.287 7.326 -11.233 1.00 0.49 H new ATOM 238 N ALA A 19 2.910 7.341 -6.120 1.00 0.21 N ATOM 239 CA ALA A 19 2.876 7.219 -4.669 1.00 0.27 C ATOM 240 C ALA A 19 1.626 7.861 -4.064 1.00 0.28 C ATOM 241 O ALA A 19 0.879 7.175 -3.378 1.00 0.34 O ATOM 242 CB ALA A 19 4.146 7.797 -4.049 1.00 0.33 C ATOM 0 H ALA A 19 3.807 7.661 -6.485 1.00 0.21 H new ATOM 0 HA ALA A 19 2.830 6.156 -4.434 1.00 0.27 H new ATOM 0 HB1 ALA A 19 4.100 7.696 -2.965 1.00 0.33 H new ATOM 0 HB2 ALA A 19 5.014 7.257 -4.427 1.00 0.33 H new ATOM 0 HB3 ALA A 19 4.232 8.851 -4.312 1.00 0.33 H new ATOM 248 N ARG A 20 1.368 9.150 -4.306 1.00 0.29 N ATOM 249 CA ARG A 20 0.208 9.822 -3.753 1.00 0.35 C ATOM 250 C ARG A 20 -1.098 9.107 -4.131 1.00 0.33 C ATOM 251 O ARG A 20 -2.011 8.993 -3.313 1.00 0.39 O ATOM 252 CB ARG A 20 0.208 11.289 -4.197 1.00 0.40 C ATOM 253 CG ARG A 20 0.750 12.203 -3.089 1.00 0.62 C ATOM 254 CD ARG A 20 0.416 13.668 -3.389 1.00 0.80 C ATOM 255 NE ARG A 20 0.982 14.556 -2.361 1.00 1.84 N ATOM 256 CZ ARG A 20 0.706 15.866 -2.237 1.00 2.65 C ATOM 257 NH1 ARG A 20 -0.180 16.440 -3.058 1.00 2.82 N ATOM 258 NH2 ARG A 20 1.317 16.594 -1.296 1.00 3.77 N ATOM 0 H ARG A 20 1.958 9.745 -4.887 1.00 0.29 H new ATOM 0 HA ARG A 20 0.268 9.788 -2.665 1.00 0.35 H new ATOM 0 HB2 ARG A 20 0.817 11.400 -5.094 1.00 0.40 H new ATOM 0 HB3 ARG A 20 -0.805 11.593 -4.459 1.00 0.40 H new ATOM 0 HG2 ARG A 20 0.320 11.915 -2.130 1.00 0.62 H new ATOM 0 HG3 ARG A 20 1.830 12.080 -3.004 1.00 0.62 H new ATOM 0 HD2 ARG A 20 0.809 13.942 -4.368 1.00 0.80 H new ATOM 0 HD3 ARG A 20 -0.665 13.797 -3.432 1.00 0.80 H new ATOM 0 HE ARG A 20 1.633 14.146 -1.691 1.00 1.84 H new ATOM 0 HH11 ARG A 20 -0.645 15.884 -3.776 1.00 2.82 H new ATOM 0 HH12 ARG A 20 -0.391 17.434 -2.966 1.00 2.82 H new ATOM 0 HH21 ARG A 20 1.993 16.155 -0.671 1.00 3.77 H new ATOM 0 HH22 ARG A 20 1.107 17.588 -1.203 1.00 3.77 H new ATOM 272 N LYS A 21 -1.203 8.616 -5.365 1.00 0.28 N ATOM 273 CA LYS A 21 -2.364 7.855 -5.778 1.00 0.32 C ATOM 274 C LYS A 21 -2.482 6.572 -4.953 1.00 0.27 C ATOM 275 O LYS A 21 -3.562 6.259 -4.459 1.00 0.29 O ATOM 276 CB LYS A 21 -2.280 7.580 -7.284 1.00 0.37 C ATOM 277 CG LYS A 21 -2.996 8.688 -8.063 1.00 0.82 C ATOM 278 CD LYS A 21 -2.776 8.501 -9.568 1.00 1.71 C ATOM 279 CE LYS A 21 -3.776 9.357 -10.358 1.00 2.19 C ATOM 280 NZ LYS A 21 -3.560 9.258 -11.817 1.00 3.14 N ATOM 0 H LYS A 21 -0.495 8.735 -6.090 1.00 0.28 H new ATOM 0 HA LYS A 21 -3.272 8.429 -5.594 1.00 0.32 H new ATOM 0 HB2 LYS A 21 -1.236 7.524 -7.593 1.00 0.37 H new ATOM 0 HB3 LYS A 21 -2.732 6.615 -7.511 1.00 0.37 H new ATOM 0 HG2 LYS A 21 -4.062 8.670 -7.839 1.00 0.82 H new ATOM 0 HG3 LYS A 21 -2.621 9.663 -7.751 1.00 0.82 H new ATOM 0 HD2 LYS A 21 -1.757 8.782 -9.832 1.00 1.71 H new ATOM 0 HD3 LYS A 21 -2.896 7.451 -9.833 1.00 1.71 H new ATOM 0 HE2 LYS A 21 -4.791 9.040 -10.120 1.00 2.19 H new ATOM 0 HE3 LYS A 21 -3.686 10.398 -10.048 1.00 2.19 H new ATOM 0 HZ1 LYS A 21 -4.256 9.851 -12.312 1.00 3.14 H new ATOM 0 HZ2 LYS A 21 -2.600 9.584 -12.049 1.00 3.14 H new ATOM 0 HZ3 LYS A 21 -3.671 8.269 -12.118 1.00 3.14 H new ATOM 294 N VAL A 22 -1.381 5.838 -4.788 1.00 0.27 N ATOM 295 CA VAL A 22 -1.372 4.596 -4.032 1.00 0.27 C ATOM 296 C VAL A 22 -1.768 4.881 -2.588 1.00 0.28 C ATOM 297 O VAL A 22 -2.707 4.278 -2.067 1.00 0.31 O ATOM 298 CB VAL A 22 0.017 3.946 -4.115 1.00 0.24 C ATOM 299 CG1 VAL A 22 0.133 2.693 -3.246 1.00 0.28 C ATOM 300 CG2 VAL A 22 0.288 3.505 -5.551 1.00 0.40 C ATOM 0 H VAL A 22 -0.473 6.092 -5.177 1.00 0.27 H new ATOM 0 HA VAL A 22 -2.094 3.897 -4.454 1.00 0.27 H new ATOM 0 HB VAL A 22 0.729 4.695 -3.767 1.00 0.24 H new ATOM 0 HG11 VAL A 22 1.135 2.275 -3.343 1.00 0.28 H new ATOM 0 HG12 VAL A 22 -0.052 2.954 -2.204 1.00 0.28 H new ATOM 0 HG13 VAL A 22 -0.601 1.956 -3.571 1.00 0.28 H new ATOM 0 HG21 VAL A 22 1.274 3.044 -5.610 1.00 0.40 H new ATOM 0 HG22 VAL A 22 -0.469 2.784 -5.859 1.00 0.40 H new ATOM 0 HG23 VAL A 22 0.253 4.372 -6.211 1.00 0.40 H new ATOM 310 N GLU A 23 -1.038 5.782 -1.929 1.00 0.27 N ATOM 311 CA GLU A 23 -1.255 6.027 -0.523 1.00 0.30 C ATOM 312 C GLU A 23 -2.674 6.525 -0.282 1.00 0.23 C ATOM 313 O GLU A 23 -3.290 6.107 0.687 1.00 0.24 O ATOM 314 CB GLU A 23 -0.174 6.911 0.106 1.00 0.41 C ATOM 315 CG GLU A 23 -0.100 8.307 -0.513 1.00 0.64 C ATOM 316 CD GLU A 23 -0.369 9.450 0.470 1.00 0.99 C ATOM 317 OE1 GLU A 23 -1.243 9.277 1.352 1.00 2.67 O ATOM 318 OE2 GLU A 23 0.284 10.501 0.296 1.00 1.56 O ATOM 0 H GLU A 23 -0.300 6.345 -2.352 1.00 0.27 H new ATOM 0 HA GLU A 23 -1.157 5.076 0.001 1.00 0.30 H new ATOM 0 HB2 GLU A 23 -0.367 7.005 1.175 1.00 0.41 H new ATOM 0 HB3 GLU A 23 0.794 6.422 -0.001 1.00 0.41 H new ATOM 0 HG2 GLU A 23 0.889 8.445 -0.950 1.00 0.64 H new ATOM 0 HG3 GLU A 23 -0.821 8.368 -1.329 1.00 0.64 H new ATOM 325 N ASN A 24 -3.235 7.338 -1.183 1.00 0.25 N ATOM 326 CA ASN A 24 -4.631 7.728 -1.092 1.00 0.30 C ATOM 327 C ASN A 24 -5.544 6.513 -1.252 1.00 0.31 C ATOM 328 O ASN A 24 -6.405 6.288 -0.406 1.00 0.40 O ATOM 329 CB ASN A 24 -4.990 8.786 -2.133 1.00 0.38 C ATOM 330 CG ASN A 24 -6.429 9.238 -1.906 1.00 1.69 C ATOM 331 OD1 ASN A 24 -7.370 8.603 -2.373 1.00 3.11 O ATOM 332 ND2 ASN A 24 -6.616 10.319 -1.158 1.00 1.93 N ATOM 0 H ASN A 24 -2.738 7.734 -1.980 1.00 0.25 H new ATOM 0 HA ASN A 24 -4.781 8.160 -0.103 1.00 0.30 H new ATOM 0 HB2 ASN A 24 -4.312 9.636 -2.055 1.00 0.38 H new ATOM 0 HB3 ASN A 24 -4.877 8.379 -3.138 1.00 0.38 H new ATOM 0 HD21 ASN A 24 -7.562 10.643 -0.957 1.00 1.93 H new ATOM 0 HD22 ASN A 24 -5.813 10.826 -0.784 1.00 1.93 H new ATOM 339 N ALA A 25 -5.362 5.744 -2.333 1.00 0.32 N ATOM 340 CA ALA A 25 -6.160 4.560 -2.647 1.00 0.37 C ATOM 341 C ALA A 25 -6.207 3.591 -1.466 1.00 0.31 C ATOM 342 O ALA A 25 -7.229 2.959 -1.210 1.00 0.37 O ATOM 343 CB ALA A 25 -5.607 3.874 -3.900 1.00 0.45 C ATOM 0 H ALA A 25 -4.639 5.935 -3.027 1.00 0.32 H new ATOM 0 HA ALA A 25 -7.184 4.878 -2.845 1.00 0.37 H new ATOM 0 HB1 ALA A 25 -6.207 2.993 -4.127 1.00 0.45 H new ATOM 0 HB2 ALA A 25 -5.646 4.566 -4.741 1.00 0.45 H new ATOM 0 HB3 ALA A 25 -4.574 3.574 -3.725 1.00 0.45 H new ATOM 349 N VAL A 26 -5.099 3.490 -0.734 1.00 0.24 N ATOM 350 CA VAL A 26 -5.029 2.753 0.515 1.00 0.23 C ATOM 351 C VAL A 26 -5.746 3.511 1.637 1.00 0.21 C ATOM 352 O VAL A 26 -6.642 2.983 2.290 1.00 0.24 O ATOM 353 CB VAL A 26 -3.545 2.500 0.825 1.00 0.45 C ATOM 354 CG1 VAL A 26 -3.310 2.059 2.267 1.00 2.16 C ATOM 355 CG2 VAL A 26 -3.013 1.448 -0.153 1.00 1.81 C ATOM 0 H VAL A 26 -4.216 3.926 -1.000 1.00 0.24 H new ATOM 0 HA VAL A 26 -5.543 1.795 0.431 1.00 0.23 H new ATOM 0 HB VAL A 26 -3.007 3.440 0.704 1.00 0.45 H new ATOM 0 HG11 VAL A 26 -2.245 1.895 2.428 1.00 2.16 H new ATOM 0 HG12 VAL A 26 -3.665 2.834 2.947 1.00 2.16 H new ATOM 0 HG13 VAL A 26 -3.853 1.133 2.457 1.00 2.16 H new ATOM 0 HG21 VAL A 26 -1.960 1.258 0.055 1.00 1.81 H new ATOM 0 HG22 VAL A 26 -3.579 0.524 -0.036 1.00 1.81 H new ATOM 0 HG23 VAL A 26 -3.121 1.813 -1.174 1.00 1.81 H new ATOM 365 N ARG A 27 -5.332 4.747 1.900 1.00 0.22 N ATOM 366 CA ARG A 27 -5.743 5.518 3.066 1.00 0.25 C ATOM 367 C ARG A 27 -7.259 5.698 3.120 1.00 0.28 C ATOM 368 O ARG A 27 -7.848 5.703 4.197 1.00 0.31 O ATOM 369 CB ARG A 27 -5.003 6.853 3.035 1.00 0.28 C ATOM 370 CG ARG A 27 -5.182 7.699 4.294 1.00 0.38 C ATOM 371 CD ARG A 27 -4.247 8.905 4.159 1.00 0.50 C ATOM 372 NE ARG A 27 -4.280 9.750 5.357 1.00 0.78 N ATOM 373 CZ ARG A 27 -3.524 10.847 5.515 1.00 1.42 C ATOM 374 NH1 ARG A 27 -2.647 11.195 4.564 1.00 2.04 N ATOM 375 NH2 ARG A 27 -3.658 11.589 6.620 1.00 1.64 N ATOM 0 H ARG A 27 -4.686 5.251 1.293 1.00 0.22 H new ATOM 0 HA ARG A 27 -5.481 4.980 3.977 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -3.940 6.663 2.887 1.00 0.28 H new ATOM 0 HB3 ARG A 27 -5.347 7.426 2.174 1.00 0.28 H new ATOM 0 HG2 ARG A 27 -6.218 8.023 4.397 1.00 0.38 H new ATOM 0 HG3 ARG A 27 -4.939 7.120 5.185 1.00 0.38 H new ATOM 0 HD2 ARG A 27 -3.228 8.559 3.985 1.00 0.50 H new ATOM 0 HD3 ARG A 27 -4.536 9.495 3.289 1.00 0.50 H new ATOM 0 HE ARG A 27 -4.913 9.489 6.113 1.00 0.78 H new ATOM 0 HH11 ARG A 27 -2.555 10.626 3.722 1.00 2.04 H new ATOM 0 HH12 ARG A 27 -2.071 12.029 4.682 1.00 2.04 H new ATOM 0 HH21 ARG A 27 -4.332 11.320 7.337 1.00 1.64 H new ATOM 0 HH22 ARG A 27 -3.086 12.424 6.746 1.00 1.64 H new ATOM 389 N GLN A 28 -7.894 5.819 1.954 1.00 0.30 N ATOM 390 CA GLN A 28 -9.338 5.929 1.834 1.00 0.36 C ATOM 391 C GLN A 28 -10.092 4.710 2.386 1.00 0.34 C ATOM 392 O GLN A 28 -11.305 4.799 2.544 1.00 0.40 O ATOM 393 CB GLN A 28 -9.757 6.327 0.412 1.00 0.47 C ATOM 394 CG GLN A 28 -9.477 5.205 -0.579 1.00 0.46 C ATOM 395 CD GLN A 28 -9.877 5.554 -2.009 1.00 0.59 C ATOM 396 OE1 GLN A 28 -10.737 4.901 -2.591 1.00 0.70 O ATOM 397 NE2 GLN A 28 -9.268 6.573 -2.609 1.00 0.69 N ATOM 0 H GLN A 28 -7.408 5.843 1.057 1.00 0.30 H new ATOM 0 HA GLN A 28 -9.646 6.748 2.484 1.00 0.36 H new ATOM 0 HB2 GLN A 28 -10.819 6.571 0.398 1.00 0.47 H new ATOM 0 HB3 GLN A 28 -9.219 7.226 0.110 1.00 0.47 H new ATOM 0 HG2 GLN A 28 -8.414 4.964 -0.554 1.00 0.46 H new ATOM 0 HG3 GLN A 28 -10.015 4.310 -0.266 1.00 0.46 H new ATOM 0 HE21 GLN A 28 -8.555 7.106 -2.111 1.00 0.69 H new ATOM 0 HE22 GLN A 28 -9.514 6.822 -3.567 1.00 0.69 H new ATOM 406 N LEU A 29 -9.427 3.563 2.615 1.00 0.30 N ATOM 407 CA LEU A 29 -10.118 2.337 2.999 1.00 0.31 C ATOM 408 C LEU A 29 -10.859 2.496 4.334 1.00 0.30 C ATOM 409 O LEU A 29 -12.084 2.580 4.338 1.00 0.35 O ATOM 410 CB LEU A 29 -9.148 1.146 3.028 1.00 0.29 C ATOM 411 CG LEU A 29 -8.639 0.747 1.634 1.00 0.32 C ATOM 412 CD1 LEU A 29 -7.445 -0.197 1.795 1.00 0.34 C ATOM 413 CD2 LEU A 29 -9.720 0.064 0.786 1.00 0.41 C ATOM 0 H LEU A 29 -8.414 3.468 2.539 1.00 0.30 H new ATOM 0 HA LEU A 29 -10.873 2.132 2.240 1.00 0.31 H new ATOM 0 HB2 LEU A 29 -8.296 1.394 3.661 1.00 0.29 H new ATOM 0 HB3 LEU A 29 -9.646 0.291 3.485 1.00 0.29 H new ATOM 0 HG LEU A 29 -8.348 1.659 1.112 1.00 0.32 H new ATOM 0 HD11 LEU A 29 -7.075 -0.487 0.811 1.00 0.34 H new ATOM 0 HD12 LEU A 29 -6.652 0.309 2.346 1.00 0.34 H new ATOM 0 HD13 LEU A 29 -7.756 -1.087 2.343 1.00 0.34 H new ATOM 0 HD21 LEU A 29 -9.307 -0.197 -0.188 1.00 0.41 H new ATOM 0 HD22 LEU A 29 -10.060 -0.841 1.290 1.00 0.41 H new ATOM 0 HD23 LEU A 29 -10.562 0.744 0.653 1.00 0.41 H new ATOM 425 N ALA A 30 -10.124 2.482 5.455 1.00 0.28 N ATOM 426 CA ALA A 30 -10.629 2.577 6.826 1.00 0.32 C ATOM 427 C ALA A 30 -9.532 2.206 7.832 1.00 0.29 C ATOM 428 O ALA A 30 -9.033 3.065 8.547 1.00 0.28 O ATOM 429 CB ALA A 30 -11.829 1.651 7.021 1.00 0.38 C ATOM 0 H ALA A 30 -9.108 2.400 5.425 1.00 0.28 H new ATOM 0 HA ALA A 30 -10.939 3.608 6.999 1.00 0.32 H new ATOM 0 HB1 ALA A 30 -12.191 1.735 8.046 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -12.624 1.935 6.331 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -11.530 0.621 6.825 1.00 0.38 H new ATOM 435 N GLY A 31 -9.181 0.912 7.889 1.00 0.29 N ATOM 436 CA GLY A 31 -8.202 0.328 8.809 1.00 0.29 C ATOM 437 C GLY A 31 -6.942 1.173 8.966 1.00 0.27 C ATOM 438 O GLY A 31 -6.418 1.337 10.066 1.00 0.32 O ATOM 0 H GLY A 31 -9.592 0.216 7.266 1.00 0.29 H new ATOM 0 HA2 GLY A 31 -8.666 0.196 9.786 1.00 0.29 H new ATOM 0 HA3 GLY A 31 -7.924 -0.663 8.451 1.00 0.29 H new ATOM 442 N VAL A 32 -6.401 1.605 7.824 1.00 0.24 N ATOM 443 CA VAL A 32 -5.103 2.225 7.735 1.00 0.22 C ATOM 444 C VAL A 32 -5.072 3.590 8.416 1.00 0.27 C ATOM 445 O VAL A 32 -5.847 4.482 8.077 1.00 0.34 O ATOM 446 CB VAL A 32 -4.600 2.214 6.292 1.00 0.27 C ATOM 447 CG1 VAL A 32 -5.665 2.346 5.218 1.00 0.37 C ATOM 448 CG2 VAL A 32 -3.535 3.281 6.057 1.00 0.32 C ATOM 0 H VAL A 32 -6.874 1.526 6.924 1.00 0.24 H new ATOM 0 HA VAL A 32 -4.387 1.631 8.302 1.00 0.22 H new ATOM 0 HB VAL A 32 -4.181 1.213 6.188 1.00 0.27 H new ATOM 0 HG11 VAL A 32 -5.195 2.326 4.235 1.00 0.37 H new ATOM 0 HG12 VAL A 32 -6.369 1.518 5.300 1.00 0.37 H new ATOM 0 HG13 VAL A 32 -6.197 3.289 5.347 1.00 0.37 H new ATOM 0 HG21 VAL A 32 -3.203 3.241 5.020 1.00 0.32 H new ATOM 0 HG22 VAL A 32 -3.954 4.265 6.266 1.00 0.32 H new ATOM 0 HG23 VAL A 32 -2.687 3.100 6.717 1.00 0.32 H new ATOM 458 N ASN A 33 -4.126 3.747 9.344 1.00 0.26 N ATOM 459 CA ASN A 33 -3.923 4.967 10.107 1.00 0.35 C ATOM 460 C ASN A 33 -2.793 5.755 9.467 1.00 0.36 C ATOM 461 O ASN A 33 -2.964 6.922 9.117 1.00 0.48 O ATOM 462 CB ASN A 33 -3.551 4.609 11.551 1.00 0.39 C ATOM 463 CG ASN A 33 -4.705 3.917 12.259 1.00 0.67 C ATOM 464 OD1 ASN A 33 -5.839 4.382 12.198 1.00 0.99 O ATOM 465 ND2 ASN A 33 -4.457 2.809 12.940 1.00 0.88 N ATOM 0 H ASN A 33 -3.467 3.008 9.587 1.00 0.26 H new ATOM 0 HA ASN A 33 -4.835 5.564 10.112 1.00 0.35 H new ATOM 0 HB2 ASN A 33 -2.676 3.959 11.554 1.00 0.39 H new ATOM 0 HB3 ASN A 33 -3.277 5.514 12.094 1.00 0.39 H new ATOM 0 HD21 ASN A 33 -5.215 2.328 13.425 1.00 0.88 H new ATOM 0 HD22 ASN A 33 -3.508 2.437 12.980 1.00 0.88 H new ATOM 472 N GLN A 34 -1.633 5.108 9.323 1.00 0.28 N ATOM 473 CA GLN A 34 -0.427 5.722 8.801 1.00 0.27 C ATOM 474 C GLN A 34 -0.009 4.896 7.590 1.00 0.29 C ATOM 475 O GLN A 34 0.358 3.730 7.722 1.00 0.59 O ATOM 476 CB GLN A 34 0.642 5.755 9.902 1.00 0.31 C ATOM 477 CG GLN A 34 1.880 6.569 9.505 1.00 0.37 C ATOM 478 CD GLN A 34 1.677 8.060 9.756 1.00 0.67 C ATOM 479 OE1 GLN A 34 1.225 8.790 8.881 1.00 1.00 O ATOM 480 NE2 GLN A 34 2.010 8.524 10.958 1.00 2.11 N ATOM 0 H GLN A 34 -1.512 4.126 9.573 1.00 0.28 H new ATOM 0 HA GLN A 34 -0.580 6.756 8.491 1.00 0.27 H new ATOM 0 HB2 GLN A 34 0.210 6.178 10.809 1.00 0.31 H new ATOM 0 HB3 GLN A 34 0.944 4.735 10.139 1.00 0.31 H new ATOM 0 HG2 GLN A 34 2.743 6.219 10.071 1.00 0.37 H new ATOM 0 HG3 GLN A 34 2.102 6.404 8.451 1.00 0.37 H new ATOM 0 HE21 GLN A 34 2.384 7.890 11.664 1.00 2.11 H new ATOM 0 HE22 GLN A 34 1.892 9.514 11.173 1.00 2.11 H new ATOM 489 N VAL A 35 -0.106 5.485 6.403 1.00 0.31 N ATOM 490 CA VAL A 35 0.283 4.850 5.157 1.00 0.39 C ATOM 491 C VAL A 35 1.686 5.331 4.794 1.00 0.40 C ATOM 492 O VAL A 35 1.986 6.513 4.955 1.00 0.58 O ATOM 493 CB VAL A 35 -0.768 5.166 4.080 1.00 0.69 C ATOM 494 CG1 VAL A 35 -0.950 6.669 3.823 1.00 1.17 C ATOM 495 CG2 VAL A 35 -0.441 4.438 2.776 1.00 2.21 C ATOM 0 H VAL A 35 -0.463 6.433 6.282 1.00 0.31 H new ATOM 0 HA VAL A 35 0.320 3.764 5.247 1.00 0.39 H new ATOM 0 HB VAL A 35 -1.719 4.803 4.471 1.00 0.69 H new ATOM 0 HG11 VAL A 35 -1.706 6.817 3.052 1.00 1.17 H new ATOM 0 HG12 VAL A 35 -1.269 7.159 4.743 1.00 1.17 H new ATOM 0 HG13 VAL A 35 -0.005 7.099 3.491 1.00 1.17 H new ATOM 0 HG21 VAL A 35 -1.197 4.675 2.027 1.00 2.21 H new ATOM 0 HG22 VAL A 35 0.538 4.756 2.417 1.00 2.21 H new ATOM 0 HG23 VAL A 35 -0.430 3.362 2.953 1.00 2.21 H new ATOM 505 N GLN A 36 2.555 4.432 4.324 1.00 0.32 N ATOM 506 CA GLN A 36 3.894 4.797 3.894 1.00 0.35 C ATOM 507 C GLN A 36 4.307 3.953 2.685 1.00 0.30 C ATOM 508 O GLN A 36 4.957 2.915 2.829 1.00 0.28 O ATOM 509 CB GLN A 36 4.875 4.654 5.065 1.00 0.37 C ATOM 510 CG GLN A 36 6.261 5.200 4.673 1.00 0.56 C ATOM 511 CD GLN A 36 7.367 4.905 5.681 1.00 0.88 C ATOM 512 OE1 GLN A 36 8.227 5.741 5.924 1.00 1.87 O ATOM 513 NE2 GLN A 36 7.414 3.694 6.239 1.00 0.61 N ATOM 0 H GLN A 36 2.345 3.438 4.234 1.00 0.32 H new ATOM 0 HA GLN A 36 3.909 5.841 3.580 1.00 0.35 H new ATOM 0 HB2 GLN A 36 4.496 5.194 5.933 1.00 0.37 H new ATOM 0 HB3 GLN A 36 4.958 3.606 5.353 1.00 0.37 H new ATOM 0 HG2 GLN A 36 6.544 4.778 3.709 1.00 0.56 H new ATOM 0 HG3 GLN A 36 6.187 6.279 4.539 1.00 0.56 H new ATOM 0 HE21 GLN A 36 6.691 3.007 6.028 1.00 0.61 H new ATOM 0 HE22 GLN A 36 8.173 3.456 6.877 1.00 0.61 H new ATOM 522 N VAL A 37 4.020 4.474 1.493 1.00 0.39 N ATOM 523 CA VAL A 37 4.458 3.954 0.217 1.00 0.34 C ATOM 524 C VAL A 37 5.798 4.623 -0.090 1.00 0.26 C ATOM 525 O VAL A 37 5.922 5.845 -0.059 1.00 0.52 O ATOM 526 CB VAL A 37 3.399 4.250 -0.864 1.00 0.53 C ATOM 527 CG1 VAL A 37 2.008 3.739 -0.476 1.00 1.55 C ATOM 528 CG2 VAL A 37 3.293 5.729 -1.239 1.00 1.37 C ATOM 0 H VAL A 37 3.447 5.312 1.396 1.00 0.39 H new ATOM 0 HA VAL A 37 4.582 2.871 0.238 1.00 0.34 H new ATOM 0 HB VAL A 37 3.757 3.706 -1.738 1.00 0.53 H new ATOM 0 HG11 VAL A 37 1.300 3.973 -1.271 1.00 1.55 H new ATOM 0 HG12 VAL A 37 2.045 2.660 -0.329 1.00 1.55 H new ATOM 0 HG13 VAL A 37 1.688 4.221 0.448 1.00 1.55 H new ATOM 0 HG21 VAL A 37 2.528 5.856 -2.004 1.00 1.37 H new ATOM 0 HG22 VAL A 37 3.024 6.310 -0.357 1.00 1.37 H new ATOM 0 HG23 VAL A 37 4.252 6.076 -1.624 1.00 1.37 H new ATOM 538 N LEU A 38 6.823 3.805 -0.317 1.00 0.33 N ATOM 539 CA LEU A 38 8.130 4.221 -0.774 1.00 0.36 C ATOM 540 C LEU A 38 8.335 3.597 -2.154 1.00 0.34 C ATOM 541 O LEU A 38 8.875 2.498 -2.303 1.00 0.31 O ATOM 542 CB LEU A 38 9.193 3.821 0.252 1.00 0.40 C ATOM 543 CG LEU A 38 10.605 4.227 -0.190 1.00 0.46 C ATOM 544 CD1 LEU A 38 10.756 5.737 -0.407 1.00 0.76 C ATOM 545 CD2 LEU A 38 11.618 3.746 0.853 1.00 0.50 C ATOM 0 H LEU A 38 6.755 2.797 -0.180 1.00 0.33 H new ATOM 0 HA LEU A 38 8.215 5.304 -0.868 1.00 0.36 H new ATOM 0 HB2 LEU A 38 8.965 4.288 1.210 1.00 0.40 H new ATOM 0 HB3 LEU A 38 9.158 2.743 0.407 1.00 0.40 H new ATOM 0 HG LEU A 38 10.792 3.754 -1.154 1.00 0.46 H new ATOM 0 HD11 LEU A 38 11.777 5.960 -0.718 1.00 0.76 H new ATOM 0 HD12 LEU A 38 10.061 6.065 -1.180 1.00 0.76 H new ATOM 0 HD13 LEU A 38 10.538 6.262 0.523 1.00 0.76 H new ATOM 0 HD21 LEU A 38 12.623 4.032 0.543 1.00 0.50 H new ATOM 0 HD22 LEU A 38 11.392 4.202 1.817 1.00 0.50 H new ATOM 0 HD23 LEU A 38 11.561 2.661 0.942 1.00 0.50 H new ATOM 557 N PHE A 39 7.855 4.332 -3.155 1.00 0.38 N ATOM 558 CA PHE A 39 8.058 4.051 -4.563 1.00 0.40 C ATOM 559 C PHE A 39 9.559 4.017 -4.883 1.00 0.41 C ATOM 560 O PHE A 39 10.366 4.496 -4.083 1.00 0.41 O ATOM 561 CB PHE A 39 7.330 5.137 -5.364 1.00 0.45 C ATOM 562 CG PHE A 39 8.018 6.484 -5.403 1.00 0.25 C ATOM 563 CD1 PHE A 39 7.766 7.462 -4.422 1.00 1.73 C ATOM 564 CD2 PHE A 39 8.863 6.785 -6.484 1.00 1.85 C ATOM 565 CE1 PHE A 39 8.250 8.768 -4.597 1.00 1.83 C ATOM 566 CE2 PHE A 39 9.325 8.095 -6.675 1.00 1.82 C ATOM 567 CZ PHE A 39 8.976 9.096 -5.756 1.00 0.57 C ATOM 0 H PHE A 39 7.294 5.169 -2.995 1.00 0.38 H new ATOM 0 HA PHE A 39 7.655 3.074 -4.830 1.00 0.40 H new ATOM 0 HB2 PHE A 39 7.200 4.784 -6.387 1.00 0.45 H new ATOM 0 HB3 PHE A 39 6.333 5.269 -4.943 1.00 0.45 H new ATOM 0 HD1 PHE A 39 7.202 7.208 -3.537 1.00 1.73 H new ATOM 0 HD2 PHE A 39 9.158 6.005 -7.170 1.00 1.85 H new ATOM 0 HE1 PHE A 39 8.065 9.519 -3.843 1.00 1.83 H new ATOM 0 HE2 PHE A 39 9.947 8.332 -7.526 1.00 1.82 H new ATOM 0 HZ PHE A 39 9.265 10.120 -5.939 1.00 0.57 H new ATOM 577 N ALA A 40 9.950 3.428 -6.017 1.00 0.47 N ATOM 578 CA ALA A 40 11.334 3.323 -6.490 1.00 0.45 C ATOM 579 C ALA A 40 12.217 2.387 -5.648 1.00 0.43 C ATOM 580 O ALA A 40 13.139 1.775 -6.178 1.00 0.90 O ATOM 581 CB ALA A 40 11.977 4.704 -6.670 1.00 0.57 C ATOM 0 H ALA A 40 9.284 2.994 -6.656 1.00 0.47 H new ATOM 0 HA ALA A 40 11.269 2.850 -7.470 1.00 0.45 H new ATOM 0 HB1 ALA A 40 13.002 4.585 -7.021 1.00 0.57 H new ATOM 0 HB2 ALA A 40 11.407 5.278 -7.401 1.00 0.57 H new ATOM 0 HB3 ALA A 40 11.979 5.231 -5.716 1.00 0.57 H new ATOM 587 N THR A 41 11.954 2.274 -4.341 1.00 0.33 N ATOM 588 CA THR A 41 12.536 1.264 -3.461 1.00 0.32 C ATOM 589 C THR A 41 11.533 0.118 -3.276 1.00 0.40 C ATOM 590 O THR A 41 11.623 -0.623 -2.300 1.00 0.77 O ATOM 591 CB THR A 41 12.898 1.914 -2.112 1.00 0.43 C ATOM 592 OG1 THR A 41 13.373 3.236 -2.294 1.00 0.98 O ATOM 593 CG2 THR A 41 13.982 1.143 -1.349 1.00 0.78 C ATOM 0 H THR A 41 11.312 2.902 -3.857 1.00 0.33 H new ATOM 0 HA THR A 41 13.447 0.856 -3.900 1.00 0.32 H new ATOM 0 HB THR A 41 11.975 1.904 -1.533 1.00 0.43 H new ATOM 0 HG1 THR A 41 13.594 3.627 -1.423 1.00 0.98 H new ATOM 0 HG21 THR A 41 14.194 1.649 -0.407 1.00 0.78 H new ATOM 0 HG22 THR A 41 13.634 0.130 -1.146 1.00 0.78 H new ATOM 0 HG23 THR A 41 14.890 1.101 -1.951 1.00 0.78 H new ATOM 601 N GLU A 42 10.571 -0.008 -4.196 1.00 0.45 N ATOM 602 CA GLU A 42 9.515 -0.996 -4.243 1.00 0.49 C ATOM 603 C GLU A 42 9.054 -1.504 -2.881 1.00 0.56 C ATOM 604 O GLU A 42 9.046 -2.712 -2.650 1.00 0.87 O ATOM 605 CB GLU A 42 9.919 -2.129 -5.201 1.00 0.67 C ATOM 606 CG GLU A 42 9.522 -1.813 -6.643 1.00 1.66 C ATOM 607 CD GLU A 42 10.251 -0.620 -7.258 1.00 3.24 C ATOM 608 OE1 GLU A 42 10.080 0.501 -6.728 1.00 4.47 O ATOM 609 OE2 GLU A 42 10.959 -0.856 -8.259 1.00 3.96 O ATOM 0 H GLU A 42 10.516 0.635 -4.986 1.00 0.45 H new ATOM 0 HA GLU A 42 8.627 -0.498 -4.632 1.00 0.49 H new ATOM 0 HB2 GLU A 42 10.996 -2.287 -5.146 1.00 0.67 H new ATOM 0 HB3 GLU A 42 9.444 -3.059 -4.887 1.00 0.67 H new ATOM 0 HG2 GLU A 42 9.710 -2.693 -7.258 1.00 1.66 H new ATOM 0 HG3 GLU A 42 8.449 -1.623 -6.677 1.00 1.66 H new ATOM 616 N LYS A 43 8.567 -0.613 -2.012 1.00 0.34 N ATOM 617 CA LYS A 43 7.818 -1.089 -0.871 1.00 0.30 C ATOM 618 C LYS A 43 6.751 -0.121 -0.439 1.00 0.24 C ATOM 619 O LYS A 43 6.795 1.072 -0.727 1.00 0.53 O ATOM 620 CB LYS A 43 8.732 -1.569 0.268 1.00 0.48 C ATOM 621 CG LYS A 43 9.387 -0.532 1.195 1.00 1.16 C ATOM 622 CD LYS A 43 8.408 0.270 2.067 1.00 1.04 C ATOM 623 CE LYS A 43 9.116 0.938 3.251 1.00 1.88 C ATOM 624 NZ LYS A 43 8.227 1.924 3.900 1.00 3.45 N ATOM 0 H LYS A 43 8.677 0.399 -2.079 1.00 0.34 H new ATOM 0 HA LYS A 43 7.275 -1.978 -1.192 1.00 0.30 H new ATOM 0 HB2 LYS A 43 8.149 -2.245 0.893 1.00 0.48 H new ATOM 0 HB3 LYS A 43 9.531 -2.159 -0.180 1.00 0.48 H new ATOM 0 HG2 LYS A 43 10.094 -1.045 1.847 1.00 1.16 H new ATOM 0 HG3 LYS A 43 9.963 0.165 0.586 1.00 1.16 H new ATOM 0 HD2 LYS A 43 7.920 1.031 1.459 1.00 1.04 H new ATOM 0 HD3 LYS A 43 7.625 -0.392 2.438 1.00 1.04 H new ATOM 0 HE2 LYS A 43 9.418 0.181 3.975 1.00 1.88 H new ATOM 0 HE3 LYS A 43 10.025 1.431 2.907 1.00 1.88 H new ATOM 0 HZ1 LYS A 43 8.786 2.745 4.210 1.00 3.45 H new ATOM 0 HZ2 LYS A 43 7.501 2.235 3.223 1.00 3.45 H new ATOM 0 HZ3 LYS A 43 7.767 1.487 4.724 1.00 3.45 H new ATOM 638 N LEU A 44 5.793 -0.662 0.295 1.00 0.30 N ATOM 639 CA LEU A 44 4.744 0.044 0.952 1.00 0.25 C ATOM 640 C LEU A 44 4.615 -0.647 2.307 1.00 0.23 C ATOM 641 O LEU A 44 4.927 -1.822 2.416 1.00 0.33 O ATOM 642 CB LEU A 44 3.536 -0.043 0.012 1.00 0.27 C ATOM 643 CG LEU A 44 2.196 -0.117 0.700 1.00 0.47 C ATOM 644 CD1 LEU A 44 1.938 1.075 1.593 1.00 0.71 C ATOM 645 CD2 LEU A 44 1.079 -0.250 -0.323 1.00 0.59 C ATOM 0 H LEU A 44 5.738 -1.669 0.447 1.00 0.30 H new ATOM 0 HA LEU A 44 4.888 1.106 1.149 1.00 0.25 H new ATOM 0 HB2 LEU A 44 3.543 0.827 -0.645 1.00 0.27 H new ATOM 0 HB3 LEU A 44 3.651 -0.922 -0.622 1.00 0.27 H new ATOM 0 HG LEU A 44 2.216 -1.002 1.335 1.00 0.47 H new ATOM 0 HD11 LEU A 44 0.960 0.972 2.064 1.00 0.71 H new ATOM 0 HD12 LEU A 44 2.708 1.126 2.363 1.00 0.71 H new ATOM 0 HD13 LEU A 44 1.959 1.987 0.997 1.00 0.71 H new ATOM 0 HD21 LEU A 44 0.119 -0.302 0.191 1.00 0.59 H new ATOM 0 HD22 LEU A 44 1.089 0.615 -0.987 1.00 0.59 H new ATOM 0 HD23 LEU A 44 1.227 -1.158 -0.908 1.00 0.59 H new ATOM 657 N VAL A 45 4.233 0.107 3.332 1.00 0.26 N ATOM 658 CA VAL A 45 4.086 -0.219 4.720 1.00 0.25 C ATOM 659 C VAL A 45 2.790 0.473 5.103 1.00 0.26 C ATOM 660 O VAL A 45 2.600 1.641 4.750 1.00 0.29 O ATOM 661 CB VAL A 45 5.277 0.336 5.517 1.00 0.25 C ATOM 662 CG1 VAL A 45 4.892 0.717 6.948 1.00 0.27 C ATOM 663 CG2 VAL A 45 6.405 -0.697 5.523 1.00 0.31 C ATOM 0 H VAL A 45 3.991 1.085 3.172 1.00 0.26 H new ATOM 0 HA VAL A 45 4.061 -1.290 4.922 1.00 0.25 H new ATOM 0 HB VAL A 45 5.613 1.251 5.029 1.00 0.25 H new ATOM 0 HG11 VAL A 45 5.768 1.104 7.470 1.00 0.27 H new ATOM 0 HG12 VAL A 45 4.116 1.482 6.925 1.00 0.27 H new ATOM 0 HG13 VAL A 45 4.518 -0.163 7.471 1.00 0.27 H new ATOM 0 HG21 VAL A 45 7.252 -0.307 6.087 1.00 0.31 H new ATOM 0 HG22 VAL A 45 6.052 -1.618 5.987 1.00 0.31 H new ATOM 0 HG23 VAL A 45 6.715 -0.903 4.499 1.00 0.31 H new ATOM 673 N VAL A 46 1.903 -0.251 5.774 1.00 0.28 N ATOM 674 CA VAL A 46 0.657 0.293 6.262 1.00 0.22 C ATOM 675 C VAL A 46 0.585 -0.001 7.749 1.00 0.24 C ATOM 676 O VAL A 46 0.673 -1.164 8.137 1.00 0.42 O ATOM 677 CB VAL A 46 -0.519 -0.333 5.510 1.00 0.30 C ATOM 678 CG1 VAL A 46 -1.812 0.149 6.144 1.00 0.71 C ATOM 679 CG2 VAL A 46 -0.533 0.077 4.040 1.00 0.39 C ATOM 0 H VAL A 46 2.036 -1.238 5.993 1.00 0.28 H new ATOM 0 HA VAL A 46 0.606 1.369 6.097 1.00 0.22 H new ATOM 0 HB VAL A 46 -0.419 -1.417 5.569 1.00 0.30 H new ATOM 0 HG11 VAL A 46 -2.660 -0.289 5.618 1.00 0.71 H new ATOM 0 HG12 VAL A 46 -1.839 -0.153 7.191 1.00 0.71 H new ATOM 0 HG13 VAL A 46 -1.866 1.236 6.078 1.00 0.71 H new ATOM 0 HG21 VAL A 46 -1.383 -0.388 3.541 1.00 0.39 H new ATOM 0 HG22 VAL A 46 -0.617 1.161 3.965 1.00 0.39 H new ATOM 0 HG23 VAL A 46 0.391 -0.249 3.563 1.00 0.39 H new ATOM 689 N ASP A 47 0.414 1.045 8.556 1.00 0.17 N ATOM 690 CA ASP A 47 0.218 0.948 9.987 1.00 0.18 C ATOM 691 C ASP A 47 -1.280 1.078 10.206 1.00 0.21 C ATOM 692 O ASP A 47 -1.866 2.119 9.879 1.00 0.26 O ATOM 693 CB ASP A 47 1.027 2.042 10.697 1.00 0.26 C ATOM 694 CG ASP A 47 2.023 1.440 11.672 1.00 1.21 C ATOM 695 OD1 ASP A 47 1.551 0.774 12.617 1.00 2.48 O ATOM 696 OD2 ASP A 47 3.235 1.638 11.437 1.00 1.78 O ATOM 0 H ASP A 47 0.409 2.006 8.215 1.00 0.17 H new ATOM 0 HA ASP A 47 0.571 0.004 10.403 1.00 0.18 H new ATOM 0 HB2 ASP A 47 1.555 2.645 9.958 1.00 0.26 H new ATOM 0 HB3 ASP A 47 0.351 2.711 11.230 1.00 0.26 H new ATOM 701 N ALA A 48 -1.903 -0.015 10.654 1.00 0.36 N ATOM 702 CA ALA A 48 -3.356 -0.090 10.767 1.00 0.42 C ATOM 703 C ALA A 48 -3.767 -0.834 12.026 1.00 0.52 C ATOM 704 O ALA A 48 -3.229 -1.907 12.314 1.00 0.72 O ATOM 705 CB ALA A 48 -3.952 -0.822 9.570 1.00 0.46 C ATOM 0 H ALA A 48 -1.417 -0.863 10.945 1.00 0.36 H new ATOM 0 HA ALA A 48 -3.728 0.934 10.805 1.00 0.42 H new ATOM 0 HB1 ALA A 48 -5.036 -0.867 9.674 1.00 0.46 H new ATOM 0 HB2 ALA A 48 -3.697 -0.289 8.654 1.00 0.46 H new ATOM 0 HB3 ALA A 48 -3.550 -1.834 9.525 1.00 0.46 H new ATOM 711 N ASP A 49 -4.792 -0.299 12.686 1.00 0.48 N ATOM 712 CA ASP A 49 -5.307 -0.798 13.960 1.00 0.65 C ATOM 713 C ASP A 49 -6.720 -1.325 13.719 1.00 0.65 C ATOM 714 O ASP A 49 -7.690 -0.902 14.343 1.00 0.75 O ATOM 715 CB ASP A 49 -5.280 0.276 15.064 1.00 0.80 C ATOM 716 CG ASP A 49 -3.877 0.737 15.456 1.00 1.26 C ATOM 717 OD1 ASP A 49 -3.129 1.170 14.547 1.00 2.37 O ATOM 718 OD2 ASP A 49 -3.584 0.669 16.669 1.00 1.99 O ATOM 0 H ASP A 49 -5.301 0.515 12.341 1.00 0.48 H new ATOM 0 HA ASP A 49 -4.664 -1.601 14.322 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -5.854 1.140 14.729 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -5.782 -0.116 15.949 1.00 0.80 H new ATOM 723 N ASN A 50 -6.813 -2.280 12.798 1.00 0.60 N ATOM 724 CA ASN A 50 -7.980 -3.118 12.581 1.00 0.54 C ATOM 725 C ASN A 50 -7.444 -4.332 11.844 1.00 0.54 C ATOM 726 O ASN A 50 -7.024 -5.284 12.490 1.00 1.03 O ATOM 727 CB ASN A 50 -9.098 -2.371 11.830 1.00 0.59 C ATOM 728 CG ASN A 50 -10.288 -3.281 11.506 1.00 1.69 C ATOM 729 OD1 ASN A 50 -11.224 -3.364 12.291 1.00 2.28 O ATOM 730 ND2 ASN A 50 -10.305 -3.964 10.358 1.00 2.53 N ATOM 0 H ASN A 50 -6.047 -2.497 12.160 1.00 0.60 H new ATOM 0 HA ASN A 50 -8.466 -3.414 13.511 1.00 0.54 H new ATOM 0 HB2 ASN A 50 -9.440 -1.530 12.434 1.00 0.59 H new ATOM 0 HB3 ASN A 50 -8.697 -1.957 10.905 1.00 0.59 H new ATOM 0 HD21 ASN A 50 -11.101 -4.559 10.131 1.00 2.53 H new ATOM 0 HD22 ASN A 50 -9.522 -3.890 9.709 1.00 2.53 H new ATOM 737 N ASP A 51 -7.374 -4.214 10.514 1.00 0.47 N ATOM 738 CA ASP A 51 -6.794 -5.112 9.531 1.00 0.59 C ATOM 739 C ASP A 51 -7.412 -4.742 8.190 1.00 0.50 C ATOM 740 O ASP A 51 -8.629 -4.564 8.120 1.00 0.88 O ATOM 741 CB ASP A 51 -7.079 -6.596 9.776 1.00 0.82 C ATOM 742 CG ASP A 51 -5.840 -7.423 9.466 1.00 1.48 C ATOM 743 OD1 ASP A 51 -5.093 -7.039 8.539 1.00 2.16 O ATOM 744 OD2 ASP A 51 -5.595 -8.423 10.173 1.00 2.35 O ATOM 0 H ASP A 51 -7.769 -3.392 10.058 1.00 0.47 H new ATOM 0 HA ASP A 51 -5.711 -4.994 9.579 1.00 0.59 H new ATOM 0 HB2 ASP A 51 -7.379 -6.751 10.812 1.00 0.82 H new ATOM 0 HB3 ASP A 51 -7.910 -6.923 9.151 1.00 0.82 H new ATOM 749 N ILE A 52 -6.586 -4.588 7.159 1.00 0.36 N ATOM 750 CA ILE A 52 -6.993 -4.155 5.829 1.00 0.32 C ATOM 751 C ILE A 52 -6.028 -4.655 4.763 1.00 0.33 C ATOM 752 O ILE A 52 -6.045 -4.160 3.651 1.00 0.29 O ATOM 753 CB ILE A 52 -7.052 -2.618 5.768 1.00 0.34 C ATOM 754 CG1 ILE A 52 -5.896 -1.948 6.525 1.00 0.36 C ATOM 755 CG2 ILE A 52 -8.374 -2.083 6.282 1.00 0.36 C ATOM 756 CD1 ILE A 52 -4.635 -1.951 5.679 1.00 0.50 C ATOM 0 H ILE A 52 -5.584 -4.767 7.230 1.00 0.36 H new ATOM 0 HA ILE A 52 -7.980 -4.575 5.634 1.00 0.32 H new ATOM 0 HB ILE A 52 -6.954 -2.365 4.712 1.00 0.34 H new ATOM 0 HG12 ILE A 52 -6.167 -0.924 6.782 1.00 0.36 H new ATOM 0 HG13 ILE A 52 -5.714 -2.474 7.462 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -8.374 -0.995 6.222 1.00 0.36 H new ATOM 0 HG22 ILE A 52 -9.188 -2.480 5.675 1.00 0.36 H new ATOM 0 HG23 ILE A 52 -8.512 -2.389 7.319 1.00 0.36 H new ATOM 0 HD11 ILE A 52 -3.826 -1.472 6.231 1.00 0.50 H new ATOM 0 HD12 ILE A 52 -4.357 -2.978 5.445 1.00 0.50 H new ATOM 0 HD13 ILE A 52 -4.816 -1.404 4.754 1.00 0.50 H new ATOM 768 N ARG A 53 -5.124 -5.573 5.064 1.00 0.56 N ATOM 769 CA ARG A 53 -3.981 -5.809 4.168 1.00 0.43 C ATOM 770 C ARG A 53 -4.471 -6.384 2.851 1.00 0.32 C ATOM 771 O ARG A 53 -4.090 -5.932 1.775 1.00 0.27 O ATOM 772 CB ARG A 53 -2.912 -6.724 4.772 1.00 0.50 C ATOM 773 CG ARG A 53 -3.079 -6.785 6.276 1.00 0.54 C ATOM 774 CD ARG A 53 -1.986 -7.541 6.992 1.00 1.06 C ATOM 775 NE ARG A 53 -2.605 -8.029 8.246 1.00 1.48 N ATOM 776 CZ ARG A 53 -2.388 -9.169 8.914 1.00 1.98 C ATOM 777 NH1 ARG A 53 -1.387 -9.975 8.554 1.00 2.28 N ATOM 778 NH2 ARG A 53 -3.191 -9.503 9.928 1.00 2.41 N ATOM 0 H ARG A 53 -5.148 -6.159 5.898 1.00 0.56 H new ATOM 0 HA ARG A 53 -3.505 -4.842 4.007 1.00 0.43 H new ATOM 0 HB2 ARG A 53 -2.994 -7.724 4.347 1.00 0.50 H new ATOM 0 HB3 ARG A 53 -1.918 -6.352 4.522 1.00 0.50 H new ATOM 0 HG2 ARG A 53 -3.118 -5.768 6.667 1.00 0.54 H new ATOM 0 HG3 ARG A 53 -4.037 -7.251 6.505 1.00 0.54 H new ATOM 0 HD2 ARG A 53 -1.619 -8.370 6.386 1.00 1.06 H new ATOM 0 HD3 ARG A 53 -1.133 -6.896 7.200 1.00 1.06 H new ATOM 0 HE ARG A 53 -3.298 -7.406 8.661 1.00 1.48 H new ATOM 0 HH11 ARG A 53 -0.786 -9.723 7.769 1.00 2.28 H new ATOM 0 HH12 ARG A 53 -1.223 -10.843 9.064 1.00 2.28 H new ATOM 0 HH21 ARG A 53 -3.964 -8.891 10.189 1.00 2.41 H new ATOM 0 HH22 ARG A 53 -3.031 -10.370 10.441 1.00 2.41 H new ATOM 792 N ALA A 54 -5.369 -7.359 2.961 1.00 0.38 N ATOM 793 CA ALA A 54 -6.045 -7.917 1.811 1.00 0.35 C ATOM 794 C ALA A 54 -6.864 -6.836 1.081 1.00 0.27 C ATOM 795 O ALA A 54 -7.020 -6.870 -0.140 1.00 0.40 O ATOM 796 CB ALA A 54 -6.851 -9.124 2.260 1.00 0.49 C ATOM 0 H ALA A 54 -5.643 -7.778 3.850 1.00 0.38 H new ATOM 0 HA ALA A 54 -5.329 -8.270 1.069 1.00 0.35 H new ATOM 0 HB1 ALA A 54 -7.367 -9.556 1.403 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -6.182 -9.867 2.693 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -7.583 -8.816 3.006 1.00 0.49 H new ATOM 802 N GLN A 55 -7.332 -5.820 1.817 1.00 0.24 N ATOM 803 CA GLN A 55 -7.945 -4.648 1.219 1.00 0.22 C ATOM 804 C GLN A 55 -6.913 -3.811 0.462 1.00 0.22 C ATOM 805 O GLN A 55 -7.168 -3.412 -0.670 1.00 0.26 O ATOM 806 CB GLN A 55 -8.785 -3.832 2.213 1.00 0.27 C ATOM 807 CG GLN A 55 -10.137 -4.488 2.540 1.00 0.71 C ATOM 808 CD GLN A 55 -10.022 -5.737 3.412 1.00 1.98 C ATOM 809 OE1 GLN A 55 -9.838 -6.841 2.912 1.00 3.68 O ATOM 810 NE2 GLN A 55 -10.152 -5.584 4.726 1.00 1.62 N ATOM 0 H GLN A 55 -7.293 -5.796 2.836 1.00 0.24 H new ATOM 0 HA GLN A 55 -8.665 -5.003 0.481 1.00 0.22 H new ATOM 0 HB2 GLN A 55 -8.219 -3.700 3.135 1.00 0.27 H new ATOM 0 HB3 GLN A 55 -8.960 -2.838 1.802 1.00 0.27 H new ATOM 0 HG2 GLN A 55 -10.770 -3.760 3.047 1.00 0.71 H new ATOM 0 HG3 GLN A 55 -10.637 -4.752 1.608 1.00 0.71 H new ATOM 0 HE21 GLN A 55 -10.304 -4.655 5.119 1.00 1.62 H new ATOM 0 HE22 GLN A 55 -10.099 -6.396 5.342 1.00 1.62 H new ATOM 819 N VAL A 56 -5.746 -3.563 1.055 1.00 0.23 N ATOM 820 CA VAL A 56 -4.675 -2.801 0.443 1.00 0.25 C ATOM 821 C VAL A 56 -4.281 -3.461 -0.869 1.00 0.21 C ATOM 822 O VAL A 56 -4.259 -2.815 -1.910 1.00 0.21 O ATOM 823 CB VAL A 56 -3.467 -2.697 1.356 1.00 0.31 C ATOM 824 CG1 VAL A 56 -2.254 -2.126 0.603 1.00 0.38 C ATOM 825 CG2 VAL A 56 -3.815 -1.786 2.525 1.00 0.39 C ATOM 0 H VAL A 56 -5.521 -3.896 1.993 1.00 0.23 H new ATOM 0 HA VAL A 56 -5.035 -1.788 0.260 1.00 0.25 H new ATOM 0 HB VAL A 56 -3.207 -3.693 1.713 1.00 0.31 H new ATOM 0 HG11 VAL A 56 -1.402 -2.062 1.280 1.00 0.38 H new ATOM 0 HG12 VAL A 56 -2.004 -2.779 -0.233 1.00 0.38 H new ATOM 0 HG13 VAL A 56 -2.494 -1.131 0.227 1.00 0.38 H new ATOM 0 HG21 VAL A 56 -2.955 -1.702 3.190 1.00 0.39 H new ATOM 0 HG22 VAL A 56 -4.081 -0.798 2.150 1.00 0.39 H new ATOM 0 HG23 VAL A 56 -4.658 -2.205 3.074 1.00 0.39 H new ATOM 835 N GLU A 57 -3.946 -4.750 -0.815 1.00 0.21 N ATOM 836 CA GLU A 57 -3.493 -5.469 -1.990 1.00 0.24 C ATOM 837 C GLU A 57 -4.583 -5.507 -3.065 1.00 0.23 C ATOM 838 O GLU A 57 -4.304 -5.156 -4.213 1.00 0.27 O ATOM 839 CB GLU A 57 -2.876 -6.815 -1.593 1.00 0.36 C ATOM 840 CG GLU A 57 -3.807 -7.741 -0.821 1.00 0.70 C ATOM 841 CD GLU A 57 -4.385 -8.864 -1.670 1.00 1.61 C ATOM 842 OE1 GLU A 57 -4.755 -8.568 -2.827 1.00 3.04 O ATOM 843 OE2 GLU A 57 -4.439 -9.995 -1.146 1.00 2.20 O ATOM 0 H GLU A 57 -3.982 -5.313 0.035 1.00 0.21 H new ATOM 0 HA GLU A 57 -2.675 -4.934 -2.473 1.00 0.24 H new ATOM 0 HB2 GLU A 57 -2.544 -7.327 -2.496 1.00 0.36 H new ATOM 0 HB3 GLU A 57 -1.989 -6.628 -0.988 1.00 0.36 H new ATOM 0 HG2 GLU A 57 -3.263 -8.174 0.018 1.00 0.70 H new ATOM 0 HG3 GLU A 57 -4.625 -7.155 -0.402 1.00 0.70 H new ATOM 850 N SER A 58 -5.839 -5.789 -2.691 1.00 0.26 N ATOM 851 CA SER A 58 -6.959 -5.641 -3.614 1.00 0.32 C ATOM 852 C SER A 58 -6.978 -4.224 -4.195 1.00 0.30 C ATOM 853 O SER A 58 -7.198 -4.046 -5.390 1.00 0.37 O ATOM 854 CB SER A 58 -8.292 -5.976 -2.922 1.00 0.39 C ATOM 855 OG SER A 58 -9.375 -5.979 -3.853 1.00 1.06 O ATOM 0 H SER A 58 -6.098 -6.118 -1.761 1.00 0.26 H new ATOM 0 HA SER A 58 -6.830 -6.348 -4.434 1.00 0.32 H new ATOM 0 HB2 SER A 58 -8.220 -6.952 -2.442 1.00 0.39 H new ATOM 0 HB3 SER A 58 -8.488 -5.248 -2.135 1.00 0.39 H new ATOM 0 HG SER A 58 -10.020 -6.672 -3.602 1.00 1.06 H new ATOM 861 N ALA A 59 -6.758 -3.208 -3.357 1.00 0.28 N ATOM 862 CA ALA A 59 -6.881 -1.810 -3.753 1.00 0.34 C ATOM 863 C ALA A 59 -5.802 -1.445 -4.768 1.00 0.32 C ATOM 864 O ALA A 59 -6.098 -0.867 -5.807 1.00 0.38 O ATOM 865 CB ALA A 59 -6.833 -0.886 -2.533 1.00 0.37 C ATOM 0 H ALA A 59 -6.489 -3.336 -2.382 1.00 0.28 H new ATOM 0 HA ALA A 59 -7.852 -1.673 -4.229 1.00 0.34 H new ATOM 0 HB1 ALA A 59 -6.927 0.150 -2.858 1.00 0.37 H new ATOM 0 HB2 ALA A 59 -7.654 -1.131 -1.859 1.00 0.37 H new ATOM 0 HB3 ALA A 59 -5.884 -1.019 -2.013 1.00 0.37 H new ATOM 871 N LEU A 60 -4.551 -1.798 -4.483 1.00 0.25 N ATOM 872 CA LEU A 60 -3.434 -1.617 -5.395 1.00 0.21 C ATOM 873 C LEU A 60 -3.672 -2.390 -6.688 1.00 0.23 C ATOM 874 O LEU A 60 -3.430 -1.871 -7.775 1.00 0.27 O ATOM 875 CB LEU A 60 -2.135 -2.066 -4.715 1.00 0.18 C ATOM 876 CG LEU A 60 -1.381 -0.854 -4.154 1.00 0.26 C ATOM 877 CD1 LEU A 60 -2.202 -0.137 -3.076 1.00 0.34 C ATOM 878 CD2 LEU A 60 -0.039 -1.264 -3.554 1.00 0.43 C ATOM 0 H LEU A 60 -4.285 -2.225 -3.596 1.00 0.25 H new ATOM 0 HA LEU A 60 -3.345 -0.561 -5.650 1.00 0.21 H new ATOM 0 HB2 LEU A 60 -2.361 -2.766 -3.911 1.00 0.18 H new ATOM 0 HB3 LEU A 60 -1.506 -2.595 -5.431 1.00 0.18 H new ATOM 0 HG LEU A 60 -1.212 -0.177 -4.991 1.00 0.26 H new ATOM 0 HD11 LEU A 60 -1.640 0.717 -2.699 1.00 0.34 H new ATOM 0 HD12 LEU A 60 -3.143 0.208 -3.505 1.00 0.34 H new ATOM 0 HD13 LEU A 60 -2.408 -0.826 -2.257 1.00 0.34 H new ATOM 0 HD21 LEU A 60 0.470 -0.382 -3.165 1.00 0.43 H new ATOM 0 HD22 LEU A 60 -0.204 -1.974 -2.744 1.00 0.43 H new ATOM 0 HD23 LEU A 60 0.577 -1.729 -4.324 1.00 0.43 H new ATOM 890 N GLN A 61 -4.155 -3.625 -6.582 1.00 0.27 N ATOM 891 CA GLN A 61 -4.458 -4.432 -7.747 1.00 0.37 C ATOM 892 C GLN A 61 -5.535 -3.761 -8.602 1.00 0.45 C ATOM 893 O GLN A 61 -5.409 -3.702 -9.822 1.00 0.51 O ATOM 894 CB GLN A 61 -4.803 -5.848 -7.283 1.00 0.40 C ATOM 895 CG GLN A 61 -4.999 -6.783 -8.473 1.00 0.61 C ATOM 896 CD GLN A 61 -4.914 -8.243 -8.046 1.00 1.04 C ATOM 897 OE1 GLN A 61 -5.918 -8.947 -8.002 1.00 1.49 O ATOM 898 NE2 GLN A 61 -3.708 -8.708 -7.730 1.00 1.33 N ATOM 0 H GLN A 61 -4.344 -4.086 -5.692 1.00 0.27 H new ATOM 0 HA GLN A 61 -3.593 -4.516 -8.405 1.00 0.37 H new ATOM 0 HB2 GLN A 61 -4.006 -6.229 -6.644 1.00 0.40 H new ATOM 0 HB3 GLN A 61 -5.711 -5.826 -6.681 1.00 0.40 H new ATOM 0 HG2 GLN A 61 -5.968 -6.592 -8.933 1.00 0.61 H new ATOM 0 HG3 GLN A 61 -4.241 -6.578 -9.229 1.00 0.61 H new ATOM 0 HE21 GLN A 61 -2.896 -8.093 -7.778 1.00 1.33 H new ATOM 0 HE22 GLN A 61 -3.596 -9.679 -7.439 1.00 1.33 H new ATOM 907 N LYS A 62 -6.568 -3.212 -7.961 1.00 0.47 N ATOM 908 CA LYS A 62 -7.611 -2.445 -8.633 1.00 0.59 C ATOM 909 C LYS A 62 -7.042 -1.176 -9.277 1.00 0.58 C ATOM 910 O LYS A 62 -7.358 -0.867 -10.423 1.00 0.65 O ATOM 911 CB LYS A 62 -8.742 -2.140 -7.656 1.00 0.69 C ATOM 912 CG LYS A 62 -9.645 -3.375 -7.563 1.00 0.94 C ATOM 913 CD LYS A 62 -10.363 -3.350 -6.222 1.00 1.54 C ATOM 914 CE LYS A 62 -11.434 -4.446 -6.129 1.00 2.09 C ATOM 915 NZ LYS A 62 -11.711 -4.813 -4.726 1.00 2.91 N ATOM 0 H LYS A 62 -6.703 -3.289 -6.953 1.00 0.47 H new ATOM 0 HA LYS A 62 -8.022 -3.044 -9.445 1.00 0.59 H new ATOM 0 HB2 LYS A 62 -8.339 -1.890 -6.675 1.00 0.69 H new ATOM 0 HB3 LYS A 62 -9.314 -1.276 -7.995 1.00 0.69 H new ATOM 0 HG2 LYS A 62 -10.367 -3.378 -8.379 1.00 0.94 H new ATOM 0 HG3 LYS A 62 -9.053 -4.285 -7.658 1.00 0.94 H new ATOM 0 HD2 LYS A 62 -9.638 -3.481 -5.419 1.00 1.54 H new ATOM 0 HD3 LYS A 62 -10.827 -2.375 -6.076 1.00 1.54 H new ATOM 0 HE2 LYS A 62 -12.352 -4.100 -6.604 1.00 2.09 H new ATOM 0 HE3 LYS A 62 -11.103 -5.327 -6.678 1.00 2.09 H new ATOM 0 HZ1 LYS A 62 -12.497 -5.493 -4.694 1.00 2.91 H new ATOM 0 HZ2 LYS A 62 -10.863 -5.244 -4.306 1.00 2.91 H new ATOM 0 HZ3 LYS A 62 -11.969 -3.961 -4.189 1.00 2.91 H new ATOM 929 N ALA A 63 -6.216 -0.434 -8.537 1.00 0.51 N ATOM 930 CA ALA A 63 -5.585 0.791 -9.011 1.00 0.53 C ATOM 931 C ALA A 63 -4.669 0.508 -10.206 1.00 0.51 C ATOM 932 O ALA A 63 -4.600 1.316 -11.130 1.00 0.57 O ATOM 933 CB ALA A 63 -4.821 1.456 -7.863 1.00 0.50 C ATOM 0 H ALA A 63 -5.965 -0.674 -7.578 1.00 0.51 H new ATOM 0 HA ALA A 63 -6.358 1.479 -9.354 1.00 0.53 H new ATOM 0 HB1 ALA A 63 -4.351 2.372 -8.221 1.00 0.50 H new ATOM 0 HB2 ALA A 63 -5.513 1.696 -7.056 1.00 0.50 H new ATOM 0 HB3 ALA A 63 -4.054 0.775 -7.493 1.00 0.50 H new ATOM 939 N GLY A 64 -3.980 -0.636 -10.183 1.00 0.46 N ATOM 940 CA GLY A 64 -3.230 -1.181 -11.305 1.00 0.46 C ATOM 941 C GLY A 64 -1.770 -1.456 -10.949 1.00 0.40 C ATOM 942 O GLY A 64 -0.876 -1.066 -11.697 1.00 0.54 O ATOM 0 H GLY A 64 -3.931 -1.224 -9.351 1.00 0.46 H new ATOM 0 HA2 GLY A 64 -3.701 -2.106 -11.638 1.00 0.46 H new ATOM 0 HA3 GLY A 64 -3.272 -0.483 -12.141 1.00 0.46 H new ATOM 946 N TYR A 65 -1.517 -2.135 -9.824 1.00 0.25 N ATOM 947 CA TYR A 65 -0.192 -2.541 -9.385 1.00 0.24 C ATOM 948 C TYR A 65 -0.184 -4.037 -9.070 1.00 0.32 C ATOM 949 O TYR A 65 -1.216 -4.606 -8.726 1.00 0.69 O ATOM 950 CB TYR A 65 0.157 -1.743 -8.132 1.00 0.24 C ATOM 951 CG TYR A 65 0.286 -0.252 -8.361 1.00 0.29 C ATOM 952 CD1 TYR A 65 1.488 0.285 -8.856 1.00 1.95 C ATOM 953 CD2 TYR A 65 -0.818 0.591 -8.137 1.00 1.73 C ATOM 954 CE1 TYR A 65 1.597 1.667 -9.083 1.00 1.99 C ATOM 955 CE2 TYR A 65 -0.713 1.970 -8.382 1.00 1.72 C ATOM 956 CZ TYR A 65 0.505 2.511 -8.829 1.00 0.52 C ATOM 957 OH TYR A 65 0.650 3.859 -8.958 1.00 0.68 O ATOM 0 H TYR A 65 -2.255 -2.422 -9.181 1.00 0.25 H new ATOM 0 HA TYR A 65 0.541 -2.350 -10.169 1.00 0.24 H new ATOM 0 HB2 TYR A 65 -0.610 -1.918 -7.378 1.00 0.24 H new ATOM 0 HB3 TYR A 65 1.096 -2.119 -7.725 1.00 0.24 H new ATOM 0 HD1 TYR A 65 2.326 -0.364 -9.061 1.00 1.95 H new ATOM 0 HD2 TYR A 65 -1.748 0.177 -7.776 1.00 1.73 H new ATOM 0 HE1 TYR A 65 2.523 2.081 -9.454 1.00 1.99 H new ATOM 0 HE2 TYR A 65 -1.566 2.614 -8.227 1.00 1.72 H new ATOM 0 HH TYR A 65 -0.199 4.301 -8.748 1.00 0.68 H new ATOM 967 N SER A 66 0.992 -4.667 -9.146 1.00 0.36 N ATOM 968 CA SER A 66 1.157 -6.104 -8.959 1.00 0.43 C ATOM 969 C SER A 66 2.062 -6.355 -7.758 1.00 0.47 C ATOM 970 O SER A 66 3.214 -6.755 -7.925 1.00 0.68 O ATOM 971 CB SER A 66 1.732 -6.717 -10.241 1.00 0.63 C ATOM 972 OG SER A 66 0.856 -6.455 -11.321 1.00 1.61 O ATOM 0 H SER A 66 1.867 -4.182 -9.342 1.00 0.36 H new ATOM 0 HA SER A 66 0.195 -6.577 -8.760 1.00 0.43 H new ATOM 0 HB2 SER A 66 2.717 -6.298 -10.447 1.00 0.63 H new ATOM 0 HB3 SER A 66 1.862 -7.792 -10.117 1.00 0.63 H new ATOM 0 HG SER A 66 1.223 -6.845 -12.142 1.00 1.61 H new ATOM 978 N LEU A 67 1.551 -6.084 -6.553 1.00 0.34 N ATOM 979 CA LEU A 67 2.305 -6.275 -5.320 1.00 0.40 C ATOM 980 C LEU A 67 2.243 -7.696 -4.764 1.00 0.35 C ATOM 981 O LEU A 67 1.618 -8.585 -5.342 1.00 0.41 O ATOM 982 CB LEU A 67 1.945 -5.201 -4.282 1.00 0.45 C ATOM 983 CG LEU A 67 0.471 -5.074 -3.888 1.00 0.82 C ATOM 984 CD1 LEU A 67 -0.302 -6.378 -3.797 1.00 2.08 C ATOM 985 CD2 LEU A 67 0.333 -4.348 -2.552 1.00 1.99 C ATOM 0 H LEU A 67 0.606 -5.728 -6.410 1.00 0.34 H new ATOM 0 HA LEU A 67 3.356 -6.142 -5.577 1.00 0.40 H new ATOM 0 HB2 LEU A 67 2.520 -5.399 -3.378 1.00 0.45 H new ATOM 0 HB3 LEU A 67 2.276 -4.236 -4.666 1.00 0.45 H new ATOM 0 HG LEU A 67 0.031 -4.509 -4.709 1.00 0.82 H new ATOM 0 HD11 LEU A 67 -1.333 -6.170 -3.511 1.00 2.08 H new ATOM 0 HD12 LEU A 67 -0.287 -6.878 -4.765 1.00 2.08 H new ATOM 0 HD13 LEU A 67 0.159 -7.023 -3.049 1.00 2.08 H new ATOM 0 HD21 LEU A 67 -0.722 -4.267 -2.289 1.00 1.99 H new ATOM 0 HD22 LEU A 67 0.858 -4.907 -1.778 1.00 1.99 H new ATOM 0 HD23 LEU A 67 0.764 -3.350 -2.634 1.00 1.99 H new ATOM 997 N ARG A 68 2.904 -7.901 -3.624 1.00 0.31 N ATOM 998 CA ARG A 68 2.885 -9.144 -2.879 1.00 0.36 C ATOM 999 C ARG A 68 3.142 -8.797 -1.415 1.00 0.33 C ATOM 1000 O ARG A 68 3.924 -7.888 -1.129 1.00 0.33 O ATOM 1001 CB ARG A 68 3.939 -10.099 -3.462 1.00 0.48 C ATOM 1002 CG ARG A 68 4.109 -11.423 -2.695 1.00 0.79 C ATOM 1003 CD ARG A 68 3.897 -12.644 -3.599 1.00 1.17 C ATOM 1004 NE ARG A 68 2.471 -12.827 -3.917 1.00 1.82 N ATOM 1005 CZ ARG A 68 1.978 -13.712 -4.801 1.00 2.71 C ATOM 1006 NH1 ARG A 68 2.810 -14.441 -5.551 1.00 2.88 N ATOM 1007 NH2 ARG A 68 0.654 -13.865 -4.925 1.00 4.26 N ATOM 0 H ARG A 68 3.481 -7.182 -3.188 1.00 0.31 H new ATOM 0 HA ARG A 68 1.926 -9.657 -2.952 1.00 0.36 H new ATOM 0 HB2 ARG A 68 3.671 -10.326 -4.494 1.00 0.48 H new ATOM 0 HB3 ARG A 68 4.900 -9.585 -3.487 1.00 0.48 H new ATOM 0 HG2 ARG A 68 5.107 -11.464 -2.260 1.00 0.79 H new ATOM 0 HG3 ARG A 68 3.399 -11.457 -1.869 1.00 0.79 H new ATOM 0 HD2 ARG A 68 4.465 -12.521 -4.521 1.00 1.17 H new ATOM 0 HD3 ARG A 68 4.280 -13.537 -3.105 1.00 1.17 H new ATOM 0 HE ARG A 68 1.802 -12.234 -3.426 1.00 1.82 H new ATOM 0 HH11 ARG A 68 3.819 -14.326 -5.453 1.00 2.88 H new ATOM 0 HH12 ARG A 68 2.436 -15.112 -6.222 1.00 2.88 H new ATOM 0 HH21 ARG A 68 0.020 -13.311 -4.349 1.00 4.26 H new ATOM 0 HH22 ARG A 68 0.279 -14.536 -5.595 1.00 4.26 H new ATOM 1021 N ASP A 69 2.447 -9.512 -0.527 1.00 0.38 N ATOM 1022 CA ASP A 69 2.636 -9.520 0.915 1.00 0.46 C ATOM 1023 C ASP A 69 4.122 -9.562 1.286 1.00 0.51 C ATOM 1024 O ASP A 69 4.868 -10.372 0.732 1.00 0.77 O ATOM 1025 CB ASP A 69 1.903 -10.751 1.467 1.00 0.72 C ATOM 1026 CG ASP A 69 2.169 -10.948 2.951 1.00 1.57 C ATOM 1027 OD1 ASP A 69 1.425 -10.350 3.753 1.00 2.29 O ATOM 1028 OD2 ASP A 69 3.150 -11.662 3.262 1.00 2.81 O ATOM 0 H ASP A 69 1.694 -10.136 -0.819 1.00 0.38 H new ATOM 0 HA ASP A 69 2.233 -8.605 1.348 1.00 0.46 H new ATOM 0 HB2 ASP A 69 0.831 -10.641 1.301 1.00 0.72 H new ATOM 0 HB3 ASP A 69 2.220 -11.639 0.920 1.00 0.72 H new ATOM 1033 N GLU A 70 4.529 -8.706 2.228 1.00 0.45 N ATOM 1034 CA GLU A 70 5.779 -8.839 2.965 1.00 0.49 C ATOM 1035 C GLU A 70 5.443 -9.006 4.444 1.00 0.55 C ATOM 1036 O GLU A 70 5.960 -8.286 5.299 1.00 0.64 O ATOM 1037 CB GLU A 70 6.624 -7.583 2.767 1.00 0.59 C ATOM 1038 CG GLU A 70 7.301 -7.547 1.401 1.00 0.93 C ATOM 1039 CD GLU A 70 8.125 -6.277 1.265 1.00 1.25 C ATOM 1040 OE1 GLU A 70 7.593 -5.219 1.671 1.00 2.41 O ATOM 1041 OE2 GLU A 70 9.272 -6.400 0.785 1.00 1.52 O ATOM 0 H GLU A 70 3.985 -7.887 2.501 1.00 0.45 H new ATOM 0 HA GLU A 70 6.341 -9.701 2.607 1.00 0.49 H new ATOM 0 HB2 GLU A 70 5.992 -6.702 2.880 1.00 0.59 H new ATOM 0 HB3 GLU A 70 7.383 -7.533 3.547 1.00 0.59 H new ATOM 0 HG2 GLU A 70 7.941 -8.421 1.280 1.00 0.93 H new ATOM 0 HG3 GLU A 70 6.550 -7.590 0.612 1.00 0.93 H new