USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 553 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.12 K(o=0.12,f=-1.8!) USER MOD Single : A 18 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.014) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0187) USER MOD Single : A 21 HIS : no HE2:sc= -8.82! C(o=-8.8!,f=-9.8!) USER MOD Single : A 23 HIS : no HD1:sc= -0.0951 X(o=-0.095,f=-0.17) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 ASN : amide:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.47) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.08) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.9!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.441 -7.855 3.680 1.00 1.18 N ATOM 59 CA MET A 9 -13.512 -6.769 3.394 1.00 0.82 C ATOM 60 C MET A 9 -12.800 -7.013 2.069 1.00 0.72 C ATOM 61 O MET A 9 -12.913 -8.089 1.483 1.00 0.97 O ATOM 62 CB MET A 9 -12.488 -6.652 4.519 1.00 1.08 C ATOM 63 CG MET A 9 -12.471 -5.249 5.118 1.00 1.61 C ATOM 64 SD MET A 9 -11.167 -5.037 6.341 1.00 2.27 S ATOM 65 CE MET A 9 -12.132 -4.574 7.788 1.00 2.82 C ATOM 0 HA MET A 9 -14.075 -5.838 3.322 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.718 -7.378 5.298 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.497 -6.897 4.137 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.338 -4.518 4.320 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.436 -5.044 5.581 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.464 -4.408 8.633 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.686 -3.659 7.578 1.00 2.82 H new ATOM 0 HE3 MET A 9 -12.831 -5.374 8.030 1.00 2.82 H new ATOM 75 N ASP A 10 -12.066 -6.008 1.600 1.00 0.49 N ATOM 76 CA ASP A 10 -11.337 -6.117 0.341 1.00 0.42 C ATOM 77 C ASP A 10 -9.845 -5.916 0.572 1.00 0.38 C ATOM 78 O ASP A 10 -9.420 -4.871 1.065 1.00 0.54 O ATOM 79 CB ASP A 10 -11.854 -5.081 -0.652 1.00 0.44 C ATOM 80 CG ASP A 10 -12.845 -5.722 -1.615 1.00 0.86 C ATOM 81 OD1 ASP A 10 -12.486 -6.731 -2.257 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.981 -5.214 -1.725 1.00 1.55 O ATOM 0 H ASP A 10 -11.961 -5.110 2.072 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.496 -7.115 -0.068 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.334 -4.262 -0.117 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.020 -4.653 -1.209 1.00 0.44 H new ATOM 87 N TYR A 11 -9.050 -6.922 0.219 1.00 0.40 N ATOM 88 CA TYR A 11 -7.605 -6.851 0.397 1.00 0.37 C ATOM 89 C TYR A 11 -6.878 -7.106 -0.918 1.00 0.34 C ATOM 90 O TYR A 11 -7.372 -7.825 -1.787 1.00 0.38 O ATOM 91 CB TYR A 11 -7.154 -7.862 1.448 1.00 0.42 C ATOM 92 CG TYR A 11 -7.244 -9.292 0.973 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.166 -9.882 0.335 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.403 -10.021 1.174 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.247 -11.193 -0.100 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.485 -11.331 0.739 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.406 -11.912 0.104 1.00 0.67 C ATOM 98 OH TYR A 11 -7.487 -13.216 -0.328 1.00 0.78 O ATOM 0 H TYR A 11 -9.382 -7.795 -0.191 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.355 -5.846 0.736 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.125 -7.645 1.734 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.765 -7.744 2.343 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.259 -9.317 0.176 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.246 -9.565 1.672 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -5.405 -11.652 -0.598 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.391 -11.898 0.896 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.369 -13.580 -0.106 1.00 0.78 H new ATOM 108 N VAL A 12 -5.700 -6.508 -1.051 1.00 0.34 N ATOM 109 CA VAL A 12 -4.881 -6.653 -2.252 1.00 0.34 C ATOM 110 C VAL A 12 -3.430 -6.348 -1.923 1.00 0.35 C ATOM 111 O VAL A 12 -3.114 -5.918 -0.815 1.00 0.51 O ATOM 112 CB VAL A 12 -5.363 -5.720 -3.381 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.986 -6.532 -4.514 1.00 0.81 C ATOM 114 CG2 VAL A 12 -6.346 -4.658 -2.881 1.00 0.52 C ATOM 0 H VAL A 12 -5.286 -5.912 -0.335 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.974 -7.682 -2.600 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.486 -5.193 -3.758 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.321 -5.858 -5.303 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.245 -7.222 -4.917 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -6.837 -7.096 -4.132 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -6.655 -4.027 -3.714 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -7.221 -5.146 -2.451 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.863 -4.044 -2.121 1.00 0.52 H new ATOM 124 N GLU A 13 -2.550 -6.574 -2.886 1.00 0.49 N ATOM 125 CA GLU A 13 -1.127 -6.320 -2.695 1.00 0.54 C ATOM 126 C GLU A 13 -0.456 -5.989 -4.021 1.00 0.50 C ATOM 127 O GLU A 13 -0.826 -6.523 -5.067 1.00 0.60 O ATOM 128 CB GLU A 13 -0.457 -7.535 -2.062 1.00 0.67 C ATOM 129 CG GLU A 13 -0.939 -8.835 -2.696 1.00 1.05 C ATOM 130 CD GLU A 13 -0.414 -10.033 -1.915 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.230 -9.826 -0.866 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.651 -11.178 -2.354 1.00 2.05 O ATOM 0 H GLU A 13 -2.794 -6.933 -3.809 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.018 -5.464 -2.029 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.624 -7.454 -2.173 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -0.667 -7.551 -0.993 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.029 -8.855 -2.716 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -0.600 -8.890 -3.730 1.00 1.05 H new ATOM 139 N ILE A 14 0.532 -5.103 -3.969 1.00 0.48 N ATOM 140 CA ILE A 14 1.260 -4.692 -5.164 1.00 0.49 C ATOM 141 C ILE A 14 2.705 -5.170 -5.099 1.00 0.48 C ATOM 142 O ILE A 14 3.388 -4.980 -4.092 1.00 0.43 O ATOM 143 CB ILE A 14 1.220 -3.174 -5.307 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.674 -2.501 -4.012 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.177 -2.700 -5.695 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.828 -0.992 -4.188 1.00 0.63 C ATOM 0 H ILE A 14 0.848 -4.654 -3.109 1.00 0.48 H new ATOM 0 HA ILE A 14 0.781 -5.144 -6.033 1.00 0.49 H new ATOM 0 HB ILE A 14 1.908 -2.891 -6.104 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.950 -2.704 -3.222 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.624 -2.930 -3.692 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.179 -1.614 -5.791 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.462 -3.149 -6.646 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.889 -2.998 -4.925 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.152 -0.547 -3.247 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.571 -0.790 -4.960 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.871 -0.561 -4.483 1.00 0.63 H new ATOM 158 N ASN A 15 3.167 -5.793 -6.180 1.00 0.59 N ATOM 159 CA ASN A 15 4.532 -6.302 -6.248 1.00 0.62 C ATOM 160 C ASN A 15 5.524 -5.157 -6.392 1.00 0.60 C ATOM 161 O ASN A 15 5.369 -4.290 -7.252 1.00 0.78 O ATOM 162 CB ASN A 15 4.673 -7.260 -7.427 1.00 0.79 C ATOM 163 CG ASN A 15 3.514 -8.248 -7.446 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.402 -7.909 -7.850 1.00 2.20 O ATOM 165 ND2 ASN A 15 3.774 -9.474 -7.005 1.00 1.54 N ATOM 0 H ASN A 15 2.614 -5.957 -7.022 1.00 0.59 H new ATOM 0 HA ASN A 15 4.748 -6.836 -5.323 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.696 -6.698 -8.361 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.618 -7.799 -7.356 1.00 0.79 H new ATOM 0 HD21 ASN A 15 3.036 -10.178 -6.992 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.711 -9.711 -6.679 1.00 1.54 H new ATOM 172 N ILE A 16 6.546 -5.158 -5.544 1.00 0.49 N ATOM 173 CA ILE A 16 7.570 -4.120 -5.570 1.00 0.49 C ATOM 174 C ILE A 16 8.957 -4.742 -5.467 1.00 0.56 C ATOM 175 O ILE A 16 9.117 -5.836 -4.927 1.00 0.66 O ATOM 176 CB ILE A 16 7.349 -3.145 -4.419 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.880 -2.736 -4.331 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.236 -1.916 -4.571 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.414 -2.033 -5.604 1.00 0.84 C ATOM 0 H ILE A 16 6.688 -5.869 -4.827 1.00 0.49 H new ATOM 0 HA ILE A 16 7.499 -3.580 -6.514 1.00 0.49 H new ATOM 0 HB ILE A 16 7.622 -3.651 -3.493 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.266 -3.619 -4.157 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.737 -2.075 -3.476 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.060 -1.235 -3.738 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.282 -2.221 -4.576 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.001 -1.411 -5.508 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.364 -1.757 -5.504 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.011 -1.135 -5.763 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.533 -2.704 -6.455 1.00 0.84 H new ATOM 191 N ASP A 17 9.959 -4.042 -5.989 1.00 0.63 N ATOM 192 CA ASP A 17 11.332 -4.534 -5.957 1.00 0.75 C ATOM 193 C ASP A 17 12.261 -3.511 -5.316 1.00 1.00 C ATOM 194 O ASP A 17 12.923 -3.800 -4.320 1.00 1.75 O ATOM 195 CB ASP A 17 11.806 -4.840 -7.372 1.00 1.27 C ATOM 196 CG ASP A 17 12.645 -6.112 -7.386 1.00 1.63 C ATOM 197 OD1 ASP A 17 12.209 -7.117 -6.785 1.00 2.21 O ATOM 198 OD2 ASP A 17 13.735 -6.100 -7.995 1.00 2.16 O ATOM 0 H ASP A 17 9.846 -3.133 -6.439 1.00 0.63 H new ATOM 0 HA ASP A 17 11.355 -5.445 -5.359 1.00 0.75 H new ATOM 0 HB2 ASP A 17 10.947 -4.956 -8.033 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.393 -4.005 -7.755 1.00 1.27 H new ATOM 203 N HIS A 18 12.312 -2.317 -5.900 1.00 1.27 N ATOM 204 CA HIS A 18 13.168 -1.250 -5.393 1.00 1.85 C ATOM 205 C HIS A 18 12.889 -0.993 -3.917 1.00 1.32 C ATOM 206 O HIS A 18 12.169 -1.750 -3.269 1.00 2.00 O ATOM 207 CB HIS A 18 12.940 0.026 -6.196 1.00 2.83 C ATOM 208 CG HIS A 18 14.089 0.362 -7.096 1.00 3.48 C ATOM 209 ND1 HIS A 18 13.955 0.566 -8.445 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.413 0.535 -6.847 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.112 0.845 -8.997 1.00 4.73 C ATOM 212 NE2 HIS A 18 16.031 0.834 -8.047 1.00 4.84 N ATOM 0 H HIS A 18 11.770 -2.064 -6.726 1.00 1.27 H new ATOM 0 HA HIS A 18 14.208 -1.560 -5.500 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.036 -0.085 -6.795 1.00 2.83 H new ATOM 0 HB3 HIS A 18 12.768 0.855 -5.510 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.896 0.454 -5.885 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.283 1.048 -10.044 1.00 4.73 H new ATOM 0 HE2 HIS A 18 17.026 1.015 -8.177 1.00 4.84 H new ATOM 220 N LYS A 19 13.470 0.081 -3.392 1.00 0.82 N ATOM 221 CA LYS A 19 13.291 0.442 -1.991 1.00 0.84 C ATOM 222 C LYS A 19 12.066 1.331 -1.812 1.00 0.77 C ATOM 223 O LYS A 19 12.135 2.373 -1.160 1.00 1.13 O ATOM 224 CB LYS A 19 14.533 1.165 -1.477 1.00 1.47 C ATOM 225 CG LYS A 19 15.803 0.372 -1.767 1.00 1.97 C ATOM 226 CD LYS A 19 17.035 1.047 -1.172 1.00 2.72 C ATOM 227 CE LYS A 19 17.426 2.295 -1.959 1.00 3.37 C ATOM 228 NZ LYS A 19 18.103 1.939 -3.237 1.00 4.03 N ATOM 0 H LYS A 19 14.070 0.717 -3.917 1.00 0.82 H new ATOM 0 HA LYS A 19 13.141 -0.473 -1.418 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.602 2.148 -1.944 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.442 1.328 -0.403 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.706 -0.634 -1.359 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.929 0.268 -2.845 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.837 1.317 -0.135 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.868 0.344 -1.165 1.00 2.72 H new ATOM 0 HE2 LYS A 19 16.536 2.888 -2.169 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.088 2.916 -1.355 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.447 2.804 -3.700 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.907 1.309 -3.040 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.429 1.455 -3.864 1.00 4.03 H new ATOM 242 N PHE A 20 10.946 0.915 -2.393 1.00 0.63 N ATOM 243 CA PHE A 20 9.704 1.675 -2.293 1.00 0.61 C ATOM 244 C PHE A 20 9.278 1.815 -0.840 1.00 0.62 C ATOM 245 O PHE A 20 8.907 2.899 -0.389 1.00 0.95 O ATOM 246 CB PHE A 20 8.599 0.973 -3.072 1.00 0.62 C ATOM 247 CG PHE A 20 8.444 1.482 -4.480 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.561 1.720 -5.264 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.181 1.713 -4.997 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.414 2.187 -6.558 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.034 2.180 -6.291 1.00 1.17 C ATOM 252 CZ PHE A 20 8.151 2.417 -7.072 1.00 1.19 C ATOM 0 H PHE A 20 10.872 0.056 -2.938 1.00 0.63 H new ATOM 0 HA PHE A 20 9.876 2.667 -2.712 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.808 -0.096 -3.101 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.655 1.099 -2.542 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.548 1.541 -4.864 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.308 1.528 -4.389 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.286 2.372 -7.167 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.047 2.360 -6.691 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.037 2.781 -8.082 1.00 1.19 H new ATOM 262 N HIS A 21 9.323 0.703 -0.114 1.00 0.53 N ATOM 263 CA HIS A 21 8.932 0.679 1.290 1.00 0.57 C ATOM 264 C HIS A 21 9.578 1.825 2.060 1.00 0.69 C ATOM 265 O HIS A 21 8.907 2.789 2.430 1.00 1.03 O ATOM 266 CB HIS A 21 9.325 -0.658 1.910 1.00 0.54 C ATOM 267 CG HIS A 21 8.541 -1.809 1.356 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.109 -2.862 2.120 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.084 -2.075 0.104 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.429 -3.720 1.396 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.394 -3.271 0.153 1.00 0.42 N ATOM 0 H HIS A 21 9.629 -0.199 -0.478 1.00 0.53 H new ATOM 0 HA HIS A 21 7.851 0.802 1.349 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.387 -0.833 1.741 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.178 -0.610 2.989 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.292 -2.965 3.118 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.233 -1.461 -0.772 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.977 -4.633 1.753 1.00 0.45 H new ATOM 279 N ARG A 22 10.879 1.716 2.302 1.00 0.68 N ATOM 280 CA ARG A 22 11.614 2.742 3.035 1.00 0.80 C ATOM 281 C ARG A 22 11.327 4.129 2.468 1.00 0.81 C ATOM 282 O ARG A 22 11.253 5.108 3.210 1.00 0.92 O ATOM 283 CB ARG A 22 13.112 2.459 2.970 1.00 0.93 C ATOM 284 CG ARG A 22 13.774 2.647 4.332 1.00 1.64 C ATOM 285 CD ARG A 22 15.222 2.164 4.326 1.00 2.14 C ATOM 286 NE ARG A 22 16.132 3.283 4.544 1.00 2.73 N ATOM 287 CZ ARG A 22 17.451 3.117 4.565 1.00 3.33 C ATOM 288 NH1 ARG A 22 18.034 2.314 3.686 1.00 3.72 N ATOM 289 NH2 ARG A 22 18.188 3.754 5.465 1.00 3.95 N ATOM 0 H ARG A 22 11.449 0.925 2.001 1.00 0.68 H new ATOM 0 HA ARG A 22 11.285 2.719 4.074 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.276 1.439 2.622 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.578 3.123 2.242 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.743 3.701 4.610 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.211 2.101 5.089 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.365 1.414 5.104 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.448 1.683 3.374 1.00 2.14 H new ATOM 0 HE ARG A 22 15.746 4.217 4.684 1.00 2.73 H new ATOM 0 HH11 ARG A 22 17.471 1.822 2.992 1.00 3.72 H new ATOM 0 HH12 ARG A 22 19.046 2.188 3.703 1.00 3.72 H new ATOM 0 HH21 ARG A 22 17.743 4.373 6.143 1.00 3.95 H new ATOM 0 HH22 ARG A 22 19.200 3.625 5.479 1.00 3.95 H new ATOM 303 N HIS A 23 11.170 4.209 1.151 1.00 0.90 N ATOM 304 CA HIS A 23 10.895 5.479 0.487 1.00 0.98 C ATOM 305 C HIS A 23 9.507 5.991 0.855 1.00 0.96 C ATOM 306 O HIS A 23 9.310 7.190 1.050 1.00 1.12 O ATOM 307 CB HIS A 23 11.000 5.309 -1.025 1.00 1.02 C ATOM 308 CG HIS A 23 12.218 5.958 -1.604 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.442 5.944 -0.989 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.414 6.649 -2.756 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.338 6.582 -1.706 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.742 7.030 -2.800 1.00 1.86 N ATOM 0 H HIS A 23 11.228 3.409 0.521 1.00 0.90 H new ATOM 0 HA HIS A 23 11.633 6.209 0.820 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.013 4.246 -1.265 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.112 5.732 -1.495 1.00 1.02 H new ATOM 0 HD2 HIS A 23 11.666 6.863 -3.505 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.378 6.717 -1.449 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.186 7.564 -3.547 1.00 1.86 H new ATOM 320 N LEU A 24 8.547 5.078 0.944 1.00 0.86 N ATOM 321 CA LEU A 24 7.176 5.438 1.284 1.00 0.87 C ATOM 322 C LEU A 24 7.060 5.778 2.765 1.00 0.97 C ATOM 323 O LEU A 24 6.682 6.891 3.128 1.00 1.16 O ATOM 324 CB LEU A 24 6.233 4.289 0.940 1.00 0.73 C ATOM 325 CG LEU A 24 5.822 4.323 -0.530 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.312 3.075 -1.258 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.308 4.467 -0.664 1.00 1.25 C ATOM 0 H LEU A 24 8.693 4.081 0.785 1.00 0.86 H new ATOM 0 HA LEU A 24 6.897 6.317 0.703 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.720 3.339 1.161 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.344 4.346 1.569 1.00 0.73 H new ATOM 0 HG LEU A 24 6.289 5.192 -0.993 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.008 3.121 -2.304 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.399 3.022 -1.198 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.880 2.189 -0.793 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.037 4.489 -1.719 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.818 3.622 -0.181 1.00 1.25 H new ATOM 0 HD23 LEU A 24 3.987 5.393 -0.187 1.00 1.25 H new ATOM 339 N ILE A 25 7.384 4.811 3.618 1.00 0.92 N ATOM 340 CA ILE A 25 7.313 5.008 5.061 1.00 1.10 C ATOM 341 C ILE A 25 8.330 6.051 5.511 1.00 1.41 C ATOM 342 O ILE A 25 8.149 6.705 6.538 1.00 1.91 O ATOM 343 CB ILE A 25 7.565 3.687 5.782 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.972 3.168 5.494 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.522 2.649 5.385 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.503 2.321 6.647 1.00 0.91 C ATOM 0 H ILE A 25 7.698 3.883 3.334 1.00 0.92 H new ATOM 0 HA ILE A 25 6.315 5.367 5.313 1.00 1.10 H new ATOM 0 HB ILE A 25 7.481 3.867 6.854 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.962 2.574 4.580 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.643 4.009 5.320 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.720 1.715 5.910 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.529 3.011 5.651 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.570 2.478 4.310 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.506 1.968 6.408 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.537 2.923 7.555 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.846 1.466 6.803 1.00 0.91 H new ATOM 358 N GLY A 26 9.400 6.203 4.736 1.00 1.49 N ATOM 359 CA GLY A 26 10.444 7.168 5.057 1.00 1.87 C ATOM 360 C GLY A 26 11.325 6.661 6.191 1.00 1.82 C ATOM 361 O GLY A 26 12.351 6.023 5.954 1.00 2.29 O ATOM 0 H GLY A 26 9.566 5.670 3.882 1.00 1.49 H new ATOM 0 HA2 GLY A 26 11.054 7.356 4.174 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.991 8.118 5.340 1.00 1.87 H new ATOM 365 N LYS A 27 10.920 6.951 7.422 1.00 1.86 N ATOM 366 CA LYS A 27 11.672 6.525 8.597 1.00 1.91 C ATOM 367 C LYS A 27 10.736 5.969 9.662 1.00 1.62 C ATOM 368 O LYS A 27 10.945 4.869 10.172 1.00 2.38 O ATOM 369 CB LYS A 27 12.460 7.701 9.166 1.00 2.21 C ATOM 370 CG LYS A 27 13.571 8.145 8.218 1.00 2.65 C ATOM 371 CD LYS A 27 13.542 9.652 7.985 1.00 3.30 C ATOM 372 CE LYS A 27 14.949 10.240 7.940 1.00 3.80 C ATOM 373 NZ LYS A 27 15.358 10.766 9.273 1.00 4.51 N ATOM 0 H LYS A 27 10.074 7.480 7.633 1.00 1.86 H new ATOM 0 HA LYS A 27 12.364 5.738 8.296 1.00 1.91 H new ATOM 0 HB2 LYS A 27 11.785 8.536 9.352 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.892 7.420 10.127 1.00 2.21 H new ATOM 0 HG2 LYS A 27 14.538 7.859 8.631 1.00 2.65 H new ATOM 0 HG3 LYS A 27 13.465 7.627 7.265 1.00 2.65 H new ATOM 0 HD2 LYS A 27 13.027 9.866 7.048 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.971 10.133 8.779 1.00 3.30 H new ATOM 0 HE2 LYS A 27 15.655 9.475 7.616 1.00 3.80 H new ATOM 0 HE3 LYS A 27 14.987 11.042 7.203 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 16.319 11.159 9.211 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 14.697 11.512 9.570 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 15.344 9.994 9.970 1.00 4.51 H new ATOM 387 N SER A 28 9.703 6.737 9.995 1.00 1.28 N ATOM 388 CA SER A 28 8.734 6.319 11.002 1.00 1.60 C ATOM 389 C SER A 28 7.387 5.987 10.364 1.00 1.60 C ATOM 390 O SER A 28 6.370 5.923 11.052 1.00 2.28 O ATOM 391 CB SER A 28 8.554 7.425 12.035 1.00 1.99 C ATOM 392 OG SER A 28 7.640 8.403 11.559 1.00 2.57 O ATOM 0 H SER A 28 9.516 7.651 9.583 1.00 1.28 H new ATOM 0 HA SER A 28 9.114 5.421 11.488 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.189 7.002 12.971 1.00 1.99 H new ATOM 0 HB3 SER A 28 9.516 7.891 12.250 1.00 1.99 H new ATOM 0 HG SER A 28 7.533 9.106 12.233 1.00 2.57 H new ATOM 398 N GLY A 29 7.383 5.771 9.049 1.00 1.21 N ATOM 399 CA GLY A 29 6.157 5.443 8.331 1.00 1.23 C ATOM 400 C GLY A 29 5.081 6.494 8.570 1.00 1.36 C ATOM 401 O GLY A 29 4.502 6.572 9.653 1.00 2.05 O ATOM 0 H GLY A 29 8.216 5.818 8.462 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.366 5.369 7.264 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.794 4.467 8.653 1.00 1.23 H new ATOM 405 N ALA A 30 4.817 7.299 7.548 1.00 1.00 N ATOM 406 CA ALA A 30 3.808 8.348 7.639 1.00 1.10 C ATOM 407 C ALA A 30 2.922 8.346 6.399 1.00 1.06 C ATOM 408 O ALA A 30 1.701 8.460 6.498 1.00 1.43 O ATOM 409 CB ALA A 30 4.483 9.707 7.792 1.00 1.27 C ATOM 0 H ALA A 30 5.288 7.246 6.645 1.00 1.00 H new ATOM 0 HA ALA A 30 3.185 8.156 8.513 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.723 10.485 7.859 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.089 9.712 8.698 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.120 9.896 6.928 1.00 1.27 H new ATOM 415 N ASN A 31 3.546 8.218 5.233 1.00 0.73 N ATOM 416 CA ASN A 31 2.816 8.202 3.971 1.00 0.69 C ATOM 417 C ASN A 31 1.680 7.189 4.020 1.00 0.60 C ATOM 418 O ASN A 31 0.591 7.442 3.503 1.00 0.58 O ATOM 419 CB ASN A 31 3.765 7.863 2.823 1.00 0.71 C ATOM 420 CG ASN A 31 4.557 9.096 2.409 1.00 1.24 C ATOM 421 OD1 ASN A 31 5.049 9.844 3.253 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.682 9.308 1.104 1.00 1.42 N ATOM 0 H ASN A 31 4.557 8.124 5.136 1.00 0.73 H new ATOM 0 HA ASN A 31 2.391 9.192 3.806 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.447 7.070 3.129 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.197 7.485 1.973 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.203 10.117 0.766 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.257 8.661 0.439 1.00 1.42 H new ATOM 429 N ILE A 32 1.933 6.042 4.643 1.00 0.58 N ATOM 430 CA ILE A 32 0.923 4.996 4.753 1.00 0.56 C ATOM 431 C ILE A 32 -0.367 5.563 5.337 1.00 0.52 C ATOM 432 O ILE A 32 -1.465 5.162 4.947 1.00 0.51 O ATOM 433 CB ILE A 32 1.434 3.851 5.625 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.167 4.384 6.854 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.339 2.922 4.823 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.213 3.343 7.968 1.00 1.07 C ATOM 0 H ILE A 32 2.827 5.814 5.078 1.00 0.58 H new ATOM 0 HA ILE A 32 0.717 4.610 3.755 1.00 0.56 H new ATOM 0 HB ILE A 32 0.571 3.279 5.966 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.182 4.670 6.579 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.669 5.284 7.215 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.691 2.114 5.464 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.780 2.503 3.986 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.193 3.483 4.445 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.741 3.754 8.828 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.197 3.077 8.259 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.734 2.453 7.613 1.00 1.07 H new ATOM 448 N ASN A 33 -0.228 6.504 6.266 1.00 0.56 N ATOM 449 CA ASN A 33 -1.382 7.132 6.897 1.00 0.59 C ATOM 450 C ASN A 33 -2.008 8.149 5.953 1.00 0.54 C ATOM 451 O ASN A 33 -3.222 8.356 5.962 1.00 0.55 O ATOM 452 CB ASN A 33 -0.960 7.819 8.192 1.00 0.71 C ATOM 453 CG ASN A 33 -2.071 7.721 9.229 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.667 8.728 9.613 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.353 6.505 9.683 1.00 1.62 N ATOM 0 H ASN A 33 0.673 6.848 6.598 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.118 6.362 7.126 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.052 7.356 8.578 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.727 8.866 7.997 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.089 6.378 10.378 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.834 5.698 9.337 1.00 1.62 H new ATOM 462 N ARG A 34 -1.171 8.779 5.135 1.00 0.55 N ATOM 463 CA ARG A 34 -1.638 9.773 4.177 1.00 0.56 C ATOM 464 C ARG A 34 -2.724 9.178 3.290 1.00 0.48 C ATOM 465 O ARG A 34 -3.839 9.697 3.225 1.00 0.48 O ATOM 466 CB ARG A 34 -0.473 10.263 3.321 1.00 0.65 C ATOM 467 CG ARG A 34 -0.105 11.708 3.649 1.00 0.89 C ATOM 468 CD ARG A 34 1.242 11.799 4.362 1.00 1.22 C ATOM 469 NE ARG A 34 1.754 13.164 4.305 1.00 1.69 N ATOM 470 CZ ARG A 34 2.056 13.844 5.407 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.866 13.315 6.313 1.00 2.90 N ATOM 472 NH2 ARG A 34 1.545 15.052 5.604 1.00 2.78 N ATOM 0 H ARG A 34 -0.164 8.618 5.117 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.055 10.619 4.724 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.393 9.621 3.482 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.737 10.184 2.266 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.070 12.293 2.730 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -0.880 12.147 4.277 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.133 11.487 5.401 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.954 11.117 3.897 1.00 1.22 H new ATOM 0 HE ARG A 34 1.884 13.608 3.396 1.00 1.69 H new ATOM 0 HH11 ARG A 34 3.259 12.385 6.165 1.00 2.90 H new ATOM 0 HH12 ARG A 34 3.097 13.838 7.158 1.00 2.90 H new ATOM 0 HH21 ARG A 34 0.919 15.461 4.910 1.00 2.78 H new ATOM 0 HH22 ARG A 34 1.778 15.572 6.450 1.00 2.78 H new ATOM 486 N ILE A 35 -2.396 8.080 2.616 1.00 0.45 N ATOM 487 CA ILE A 35 -3.348 7.405 1.741 1.00 0.40 C ATOM 488 C ILE A 35 -4.529 6.896 2.556 1.00 0.34 C ATOM 489 O ILE A 35 -5.685 7.194 2.253 1.00 0.34 O ATOM 490 CB ILE A 35 -2.668 6.240 1.029 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.412 6.715 0.304 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.626 5.561 0.056 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.735 7.777 -0.744 1.00 1.29 C ATOM 0 H ILE A 35 -1.477 7.639 2.659 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.708 8.114 0.995 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.376 5.507 1.781 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.705 7.121 1.028 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.925 5.866 -0.176 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.117 4.734 -0.439 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.490 5.181 0.601 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.957 6.282 -0.691 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.816 8.091 -1.239 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -2.422 7.363 -1.482 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -2.198 8.637 -0.260 1.00 1.29 H new ATOM 505 N LYS A 36 -4.224 6.132 3.603 1.00 0.35 N ATOM 506 CA LYS A 36 -5.241 5.574 4.492 1.00 0.36 C ATOM 507 C LYS A 36 -6.310 6.616 4.817 1.00 0.39 C ATOM 508 O LYS A 36 -7.499 6.303 4.882 1.00 0.51 O ATOM 509 CB LYS A 36 -4.570 5.089 5.779 1.00 0.44 C ATOM 510 CG LYS A 36 -5.584 4.705 6.854 1.00 1.09 C ATOM 511 CD LYS A 36 -5.471 5.608 8.079 1.00 1.41 C ATOM 512 CE LYS A 36 -6.580 6.655 8.110 1.00 2.17 C ATOM 513 NZ LYS A 36 -7.302 6.641 9.413 1.00 2.76 N ATOM 0 H LYS A 36 -3.268 5.883 3.858 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.728 4.737 3.993 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.939 4.229 5.555 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.917 5.873 6.163 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.592 4.770 6.444 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.427 3.668 7.150 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -5.517 5.002 8.984 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.501 6.105 8.077 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -6.154 7.644 7.938 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -7.284 6.466 7.300 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -8.050 7.364 9.403 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -7.728 5.704 9.564 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -6.633 6.845 10.183 1.00 2.76 H new ATOM 527 N ASP A 37 -5.877 7.855 5.015 1.00 0.40 N ATOM 528 CA ASP A 37 -6.790 8.948 5.327 1.00 0.45 C ATOM 529 C ASP A 37 -7.315 9.573 4.043 1.00 0.44 C ATOM 530 O ASP A 37 -8.424 10.107 4.005 1.00 0.60 O ATOM 531 CB ASP A 37 -6.074 10.003 6.165 1.00 0.51 C ATOM 532 CG ASP A 37 -7.045 11.102 6.575 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.207 10.778 6.904 1.00 1.56 O ATOM 534 OD2 ASP A 37 -6.644 12.285 6.569 1.00 1.37 O ATOM 0 H ASP A 37 -4.896 8.129 4.965 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.631 8.553 5.897 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.642 9.540 7.053 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.249 10.431 5.595 1.00 0.51 H new ATOM 539 N GLN A 38 -6.508 9.497 2.993 1.00 0.41 N ATOM 540 CA GLN A 38 -6.871 10.045 1.696 1.00 0.46 C ATOM 541 C GLN A 38 -7.914 9.168 1.017 1.00 0.42 C ATOM 542 O GLN A 38 -9.061 9.576 0.834 1.00 0.68 O ATOM 543 CB GLN A 38 -5.636 10.145 0.823 1.00 0.54 C ATOM 544 CG GLN A 38 -5.908 10.980 -0.421 1.00 0.65 C ATOM 545 CD GLN A 38 -6.462 12.348 -0.041 1.00 1.05 C ATOM 546 OE1 GLN A 38 -7.667 12.587 -0.123 1.00 1.65 O ATOM 547 NE2 GLN A 38 -5.579 13.249 0.377 1.00 1.66 N ATOM 0 H GLN A 38 -5.589 9.056 3.017 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.296 11.038 1.842 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.820 10.591 1.392 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.312 9.146 0.530 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -4.988 11.101 -0.992 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.618 10.461 -1.065 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -4.589 13.007 0.429 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -5.891 14.182 0.646 1.00 1.66 H new ATOM 556 N TYR A 39 -7.505 7.961 0.642 1.00 0.34 N ATOM 557 CA TYR A 39 -8.399 7.019 -0.023 1.00 0.34 C ATOM 558 C TYR A 39 -9.222 6.221 0.989 1.00 0.30 C ATOM 559 O TYR A 39 -9.888 5.253 0.621 1.00 0.32 O ATOM 560 CB TYR A 39 -7.591 6.060 -0.892 1.00 0.39 C ATOM 561 CG TYR A 39 -6.870 6.746 -2.025 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.759 7.530 -1.769 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.314 6.590 -3.327 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.095 8.156 -2.810 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.650 7.217 -4.368 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.544 7.997 -4.104 1.00 0.66 C ATOM 567 OH TYR A 39 -4.884 8.620 -5.138 1.00 0.77 O ATOM 0 H TYR A 39 -6.558 7.611 0.787 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.085 7.593 -0.646 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.863 5.541 -0.268 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.258 5.302 -1.301 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.409 7.654 -0.755 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.180 5.978 -3.531 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.228 8.767 -2.609 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.997 7.095 -5.383 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.327 8.405 -5.985 1.00 0.77 H new ATOM 577 N LYS A 40 -9.176 6.618 2.262 1.00 0.28 N ATOM 578 CA LYS A 40 -9.922 5.919 3.307 1.00 0.31 C ATOM 579 C LYS A 40 -9.655 4.421 3.230 1.00 0.29 C ATOM 580 O LYS A 40 -10.582 3.612 3.236 1.00 0.39 O ATOM 581 CB LYS A 40 -11.416 6.190 3.151 1.00 0.38 C ATOM 582 CG LYS A 40 -12.102 6.355 4.504 1.00 0.86 C ATOM 583 CD LYS A 40 -13.384 7.174 4.389 1.00 1.29 C ATOM 584 CE LYS A 40 -14.516 6.563 5.211 1.00 1.88 C ATOM 585 NZ LYS A 40 -15.718 6.299 4.370 1.00 2.56 N ATOM 0 H LYS A 40 -8.633 7.416 2.592 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.593 6.286 4.279 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.563 7.091 2.556 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.880 5.369 2.605 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.333 5.373 4.917 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.420 6.842 5.201 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.197 8.193 4.727 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.685 7.235 3.343 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.176 5.632 5.665 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.781 7.237 6.026 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -16.469 5.884 4.958 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -16.055 7.192 3.957 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -15.470 5.637 3.608 1.00 2.56 H new ATOM 599 N VAL A 41 -8.378 4.063 3.141 1.00 0.23 N ATOM 600 CA VAL A 41 -7.975 2.665 3.044 1.00 0.23 C ATOM 601 C VAL A 41 -6.988 2.308 4.149 1.00 0.27 C ATOM 602 O VAL A 41 -6.734 3.110 5.047 1.00 0.33 O ATOM 603 CB VAL A 41 -7.343 2.422 1.676 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.409 2.423 0.588 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.278 3.473 1.382 1.00 0.23 C ATOM 0 H VAL A 41 -7.602 4.725 3.134 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.855 2.032 3.161 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.864 1.443 1.689 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.941 2.248 -0.381 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.134 1.634 0.788 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.917 3.388 0.577 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.839 3.282 0.403 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.733 4.464 1.390 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.500 3.425 2.144 1.00 0.23 H new ATOM 615 N SER A 42 -6.433 1.101 4.079 1.00 0.29 N ATOM 616 CA SER A 42 -5.471 0.639 5.073 1.00 0.34 C ATOM 617 C SER A 42 -4.294 -0.049 4.393 1.00 0.30 C ATOM 618 O SER A 42 -4.347 -1.243 4.096 1.00 0.36 O ATOM 619 CB SER A 42 -6.147 -0.324 6.044 1.00 0.43 C ATOM 620 OG SER A 42 -6.011 0.143 7.378 1.00 0.93 O ATOM 0 H SER A 42 -6.634 0.425 3.342 1.00 0.29 H new ATOM 0 HA SER A 42 -5.099 1.501 5.626 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.203 -0.423 5.792 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.703 -1.315 5.952 1.00 0.43 H new ATOM 0 HG SER A 42 -6.451 -0.483 7.990 1.00 0.93 H new ATOM 626 N VAL A 43 -3.234 0.713 4.147 1.00 0.33 N ATOM 627 CA VAL A 43 -2.041 0.181 3.500 1.00 0.34 C ATOM 628 C VAL A 43 -1.072 -0.370 4.538 1.00 0.35 C ATOM 629 O VAL A 43 -0.960 0.165 5.641 1.00 0.55 O ATOM 630 CB VAL A 43 -1.360 1.278 2.687 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.932 2.432 3.589 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.165 0.723 1.917 1.00 0.54 C ATOM 0 H VAL A 43 -3.177 1.703 4.386 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.338 -0.630 2.835 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.081 1.659 1.964 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.449 3.203 2.989 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -1.808 2.852 4.082 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.233 2.066 4.341 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.303 1.524 1.345 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.558 0.307 2.618 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.502 -0.059 1.237 1.00 0.54 H new ATOM 642 N ARG A 44 -0.376 -1.445 4.181 1.00 0.31 N ATOM 643 CA ARG A 44 0.581 -2.070 5.085 1.00 0.42 C ATOM 644 C ARG A 44 1.863 -2.434 4.347 1.00 0.40 C ATOM 645 O ARG A 44 1.870 -3.326 3.500 1.00 0.41 O ATOM 646 CB ARG A 44 -0.031 -3.323 5.705 1.00 0.52 C ATOM 647 CG ARG A 44 -1.292 -2.995 6.500 1.00 0.78 C ATOM 648 CD ARG A 44 -1.007 -1.993 7.615 1.00 1.05 C ATOM 649 NE ARG A 44 -1.389 -2.550 8.909 1.00 1.31 N ATOM 650 CZ ARG A 44 -0.877 -2.089 10.045 1.00 1.74 C ATOM 651 NH1 ARG A 44 0.303 -2.524 10.469 1.00 2.27 N ATOM 652 NH2 ARG A 44 -1.544 -1.193 10.760 1.00 2.28 N ATOM 0 H ARG A 44 -0.457 -1.901 3.272 1.00 0.31 H new ATOM 0 HA ARG A 44 0.825 -1.358 5.873 1.00 0.42 H new ATOM 0 HB2 ARG A 44 -0.271 -4.039 4.919 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.699 -3.800 6.359 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -2.050 -2.589 5.830 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.702 -3.910 6.928 1.00 0.78 H new ATOM 0 HD2 ARG A 44 0.052 -1.737 7.621 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.557 -1.070 7.433 1.00 1.05 H new ATOM 0 HE ARG A 44 -2.066 -3.312 8.942 1.00 1.31 H new ATOM 0 HH11 ARG A 44 0.819 -3.214 9.922 1.00 2.27 H new ATOM 0 HH12 ARG A 44 0.694 -2.169 11.341 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -2.452 -0.857 10.438 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -1.149 -0.840 11.632 1.00 2.28 H new ATOM 666 N ILE A 45 2.946 -1.739 4.679 1.00 0.46 N ATOM 667 CA ILE A 45 4.244 -1.983 4.058 1.00 0.47 C ATOM 668 C ILE A 45 4.974 -3.102 4.815 1.00 0.53 C ATOM 669 O ILE A 45 5.410 -2.909 5.950 1.00 0.64 O ATOM 670 CB ILE A 45 5.056 -0.672 4.062 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.598 0.233 2.915 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.570 -0.906 3.980 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.118 -0.250 1.559 1.00 0.56 C ATOM 0 H ILE A 45 2.950 -0.997 5.379 1.00 0.46 H new ATOM 0 HA ILE A 45 4.118 -2.307 3.025 1.00 0.47 H new ATOM 0 HB ILE A 45 4.865 -0.184 5.017 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.509 0.268 2.894 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.946 1.250 3.095 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.087 0.053 3.987 1.00 0.60 H new ATOM 0 HG22 ILE A 45 6.893 -1.499 4.836 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.806 -1.439 3.059 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.769 0.422 0.775 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.208 -0.259 1.570 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.748 -1.257 1.365 1.00 0.56 H new ATOM 685 N PRO A 46 5.120 -4.288 4.192 1.00 0.48 N ATOM 686 CA PRO A 46 5.800 -5.423 4.821 1.00 0.58 C ATOM 687 C PRO A 46 7.322 -5.281 4.772 1.00 0.61 C ATOM 688 O PRO A 46 7.921 -5.326 3.697 1.00 0.56 O ATOM 689 CB PRO A 46 5.332 -6.621 4.000 1.00 0.57 C ATOM 690 CG PRO A 46 4.963 -6.073 2.661 1.00 0.47 C ATOM 691 CD PRO A 46 4.638 -4.614 2.840 1.00 0.41 C ATOM 0 HA PRO A 46 5.562 -5.510 5.881 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.121 -7.369 3.913 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.480 -7.110 4.472 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.785 -6.199 1.956 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.107 -6.608 2.251 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.132 -4.003 2.085 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.567 -4.432 2.747 1.00 0.41 H new ATOM 699 N PRO A 47 7.969 -5.107 5.938 1.00 0.74 N ATOM 700 CA PRO A 47 9.429 -4.960 6.010 1.00 0.81 C ATOM 701 C PRO A 47 10.148 -6.283 5.773 1.00 0.87 C ATOM 702 O PRO A 47 10.669 -6.894 6.707 1.00 1.53 O ATOM 703 CB PRO A 47 9.670 -4.440 7.424 1.00 0.98 C ATOM 704 CG PRO A 47 8.496 -4.901 8.222 1.00 1.03 C ATOM 705 CD PRO A 47 7.338 -5.042 7.267 1.00 0.85 C ATOM 0 HA PRO A 47 9.817 -4.292 5.241 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.601 -4.832 7.833 1.00 0.98 H new ATOM 0 HB3 PRO A 47 9.750 -3.353 7.434 1.00 0.98 H new ATOM 0 HG2 PRO A 47 8.711 -5.852 8.709 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.261 -4.185 9.010 1.00 1.03 H new ATOM 0 HD2 PRO A 47 6.757 -5.940 7.476 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.655 -4.196 7.342 1.00 0.85 H new ATOM 713 N ASP A 48 10.174 -6.719 4.518 1.00 1.32 N ATOM 714 CA ASP A 48 10.827 -7.970 4.151 1.00 1.46 C ATOM 715 C ASP A 48 12.273 -7.720 3.740 1.00 1.48 C ATOM 716 O ASP A 48 13.204 -8.190 4.393 1.00 2.18 O ATOM 717 CB ASP A 48 10.070 -8.634 3.005 1.00 2.16 C ATOM 718 CG ASP A 48 9.592 -10.020 3.417 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.134 -10.172 4.568 1.00 3.01 O ATOM 720 OD2 ASP A 48 9.676 -10.950 2.587 1.00 3.03 O ATOM 0 H ASP A 48 9.749 -6.222 3.735 1.00 1.32 H new ATOM 0 HA ASP A 48 10.822 -8.631 5.018 1.00 1.46 H new ATOM 0 HB2 ASP A 48 9.217 -8.018 2.719 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.716 -8.710 2.130 1.00 2.16 H new ATOM 725 N SER A 49 12.453 -6.978 2.652 1.00 1.59 N ATOM 726 CA SER A 49 13.785 -6.663 2.149 1.00 2.11 C ATOM 727 C SER A 49 14.598 -7.936 1.951 1.00 1.90 C ATOM 728 O SER A 49 15.722 -8.049 2.443 1.00 2.33 O ATOM 729 CB SER A 49 14.506 -5.732 3.121 1.00 3.03 C ATOM 730 OG SER A 49 15.468 -4.945 2.436 1.00 3.81 O ATOM 0 H SER A 49 11.691 -6.583 2.101 1.00 1.59 H new ATOM 0 HA SER A 49 13.680 -6.163 1.186 1.00 2.11 H new ATOM 0 HB2 SER A 49 13.783 -5.084 3.616 1.00 3.03 H new ATOM 0 HB3 SER A 49 14.995 -6.318 3.900 1.00 3.03 H new ATOM 0 HG SER A 49 15.920 -4.353 3.073 1.00 3.81 H new ATOM 736 N GLU A 50 14.026 -8.893 1.229 1.00 1.92 N ATOM 737 CA GLU A 50 14.698 -10.160 0.963 1.00 2.27 C ATOM 738 C GLU A 50 15.138 -10.234 -0.493 1.00 2.09 C ATOM 739 O GLU A 50 16.316 -10.439 -0.787 1.00 2.74 O ATOM 740 CB GLU A 50 13.762 -11.323 1.281 1.00 3.06 C ATOM 741 CG GLU A 50 14.537 -12.613 1.529 1.00 3.83 C ATOM 742 CD GLU A 50 13.765 -13.521 2.476 1.00 4.43 C ATOM 743 OE1 GLU A 50 12.556 -13.280 2.679 1.00 4.97 O ATOM 744 OE2 GLU A 50 14.370 -14.472 3.014 1.00 4.75 O ATOM 0 H GLU A 50 13.096 -8.815 0.816 1.00 1.92 H new ATOM 0 HA GLU A 50 15.581 -10.225 1.599 1.00 2.27 H new ATOM 0 HB2 GLU A 50 13.165 -11.081 2.161 1.00 3.06 H new ATOM 0 HB3 GLU A 50 13.067 -11.468 0.454 1.00 3.06 H new ATOM 0 HG2 GLU A 50 14.712 -13.127 0.584 1.00 3.83 H new ATOM 0 HG3 GLU A 50 15.515 -12.382 1.952 1.00 3.83 H new ATOM 751 N LYS A 51 14.183 -10.064 -1.400 1.00 1.76 N ATOM 752 CA LYS A 51 14.463 -10.106 -2.831 1.00 1.77 C ATOM 753 C LYS A 51 13.413 -9.307 -3.596 1.00 1.55 C ATOM 754 O LYS A 51 13.715 -8.267 -4.182 1.00 2.20 O ATOM 755 CB LYS A 51 14.477 -11.552 -3.320 1.00 2.14 C ATOM 756 CG LYS A 51 15.824 -11.924 -3.935 1.00 2.60 C ATOM 757 CD LYS A 51 16.685 -12.728 -2.965 1.00 3.36 C ATOM 758 CE LYS A 51 17.799 -13.477 -3.691 1.00 4.12 C ATOM 759 NZ LYS A 51 18.371 -14.557 -2.840 1.00 4.81 N ATOM 0 H LYS A 51 13.204 -9.895 -1.169 1.00 1.76 H new ATOM 0 HA LYS A 51 15.442 -9.662 -3.010 1.00 1.77 H new ATOM 0 HB2 LYS A 51 14.260 -12.221 -2.487 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.688 -11.695 -4.058 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.661 -12.504 -4.844 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.354 -11.017 -4.226 1.00 2.60 H new ATOM 0 HD2 LYS A 51 17.120 -12.059 -2.223 1.00 3.36 H new ATOM 0 HD3 LYS A 51 16.059 -13.439 -2.426 1.00 3.36 H new ATOM 0 HE2 LYS A 51 17.409 -13.907 -4.614 1.00 4.12 H new ATOM 0 HE3 LYS A 51 18.586 -12.778 -3.972 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 19.125 -15.047 -3.362 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 18.764 -14.143 -1.971 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 17.624 -15.236 -2.592 1.00 4.81 H new ATOM 773 N SER A 52 12.178 -9.796 -3.577 1.00 1.19 N ATOM 774 CA SER A 52 11.075 -9.128 -4.258 1.00 1.04 C ATOM 775 C SER A 52 9.993 -8.749 -3.255 1.00 0.92 C ATOM 776 O SER A 52 9.261 -9.607 -2.764 1.00 1.19 O ATOM 777 CB SER A 52 10.493 -10.040 -5.334 1.00 1.25 C ATOM 778 OG SER A 52 9.548 -9.335 -6.125 1.00 2.03 O ATOM 0 H SER A 52 11.915 -10.656 -3.095 1.00 1.19 H new ATOM 0 HA SER A 52 11.452 -8.221 -4.730 1.00 1.04 H new ATOM 0 HB2 SER A 52 11.294 -10.422 -5.967 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.016 -10.902 -4.869 1.00 1.25 H new ATOM 0 HG SER A 52 9.185 -9.933 -6.811 1.00 2.03 H new ATOM 784 N ASN A 53 9.902 -7.459 -2.948 1.00 0.68 N ATOM 785 CA ASN A 53 8.918 -6.965 -1.998 1.00 0.61 C ATOM 786 C ASN A 53 7.505 -7.199 -2.510 1.00 0.59 C ATOM 787 O ASN A 53 7.299 -7.556 -3.669 1.00 0.99 O ATOM 788 CB ASN A 53 9.134 -5.475 -1.748 1.00 0.60 C ATOM 789 CG ASN A 53 10.586 -5.208 -1.379 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.078 -5.692 -0.359 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.276 -4.436 -2.211 1.00 1.28 N ATOM 0 H ASN A 53 10.501 -6.736 -3.346 1.00 0.68 H new ATOM 0 HA ASN A 53 9.043 -7.511 -1.063 1.00 0.61 H new ATOM 0 HB2 ASN A 53 8.868 -4.907 -2.639 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.479 -5.135 -0.946 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.254 -4.223 -2.016 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.828 -4.056 -3.045 1.00 1.28 H new ATOM 798 N LEU A 54 6.539 -6.990 -1.628 1.00 0.55 N ATOM 799 CA LEU A 54 5.132 -7.169 -1.963 1.00 0.51 C ATOM 800 C LEU A 54 4.259 -6.422 -0.964 1.00 0.44 C ATOM 801 O LEU A 54 3.804 -6.994 0.026 1.00 0.57 O ATOM 802 CB LEU A 54 4.775 -8.653 -1.955 1.00 0.65 C ATOM 803 CG LEU A 54 4.547 -9.184 -3.368 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.733 -10.028 -3.826 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.254 -9.992 -3.440 1.00 1.49 C ATOM 0 H LEU A 54 6.705 -6.694 -0.666 1.00 0.55 H new ATOM 0 HA LEU A 54 4.955 -6.767 -2.961 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.576 -9.218 -1.478 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.876 -8.808 -1.358 1.00 0.65 H new ATOM 0 HG LEU A 54 4.455 -8.331 -4.040 1.00 0.82 H new ATOM 0 HD11 LEU A 54 5.549 -10.396 -4.835 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.637 -9.419 -3.821 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.861 -10.873 -3.149 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.111 -10.361 -4.456 1.00 1.49 H new ATOM 0 HD22 LEU A 54 3.314 -10.836 -2.753 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.412 -9.357 -3.163 1.00 1.49 H new ATOM 817 N ILE A 55 4.028 -5.139 -1.227 1.00 0.31 N ATOM 818 CA ILE A 55 3.210 -4.318 -0.345 1.00 0.26 C ATOM 819 C ILE A 55 1.806 -4.894 -0.249 1.00 0.27 C ATOM 820 O ILE A 55 1.311 -5.505 -1.196 1.00 0.34 O ATOM 821 CB ILE A 55 3.154 -2.881 -0.853 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.564 -2.347 -1.115 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.413 -1.987 0.138 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.548 -0.871 -1.502 1.00 0.35 C ATOM 0 H ILE A 55 4.395 -4.648 -2.042 1.00 0.31 H new ATOM 0 HA ILE A 55 3.661 -4.318 0.647 1.00 0.26 H new ATOM 0 HB ILE A 55 2.605 -2.872 -1.795 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.176 -2.482 -0.223 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.030 -2.927 -1.912 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.384 -0.966 -0.244 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.395 -2.354 0.269 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.930 -2.001 1.098 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.568 -0.530 -1.680 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.958 -0.739 -2.409 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.106 -0.288 -0.694 1.00 0.35 H new ATOM 836 N ARG A 56 1.172 -4.706 0.901 1.00 0.29 N ATOM 837 CA ARG A 56 -0.173 -5.219 1.117 1.00 0.32 C ATOM 838 C ARG A 56 -1.139 -4.092 1.447 1.00 0.29 C ATOM 839 O ARG A 56 -0.999 -3.414 2.464 1.00 0.42 O ATOM 840 CB ARG A 56 -0.162 -6.245 2.245 1.00 0.42 C ATOM 841 CG ARG A 56 0.277 -7.618 1.745 1.00 0.55 C ATOM 842 CD ARG A 56 1.385 -8.207 2.615 1.00 0.84 C ATOM 843 NE ARG A 56 1.313 -9.663 2.616 1.00 1.44 N ATOM 844 CZ ARG A 56 2.369 -10.416 2.322 1.00 1.77 C ATOM 845 NH1 ARG A 56 3.328 -10.597 3.220 1.00 2.19 N ATOM 846 NH2 ARG A 56 2.467 -10.988 1.130 1.00 2.33 N ATOM 0 H ARG A 56 1.567 -4.203 1.696 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.510 -5.698 0.197 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.511 -5.912 3.035 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.157 -6.317 2.683 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.578 -8.294 1.738 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.627 -7.536 0.716 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.358 -7.885 2.243 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.294 -7.832 3.634 1.00 0.84 H new ATOM 0 HE ARG A 56 0.429 -10.116 2.848 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.256 -10.158 4.138 1.00 2.19 H new ATOM 0 HH12 ARG A 56 4.137 -11.175 2.993 1.00 2.19 H new ATOM 0 HH21 ARG A 56 1.732 -10.851 0.437 1.00 2.33 H new ATOM 0 HH22 ARG A 56 3.278 -11.565 0.906 1.00 2.33 H new ATOM 860 N ILE A 57 -2.130 -3.909 0.582 1.00 0.24 N ATOM 861 CA ILE A 57 -3.143 -2.878 0.773 1.00 0.24 C ATOM 862 C ILE A 57 -4.478 -3.534 1.101 1.00 0.26 C ATOM 863 O ILE A 57 -4.701 -4.696 0.762 1.00 0.40 O ATOM 864 CB ILE A 57 -3.287 -2.017 -0.483 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.935 -1.783 -1.158 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.948 -0.685 -0.151 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.491 -2.999 -1.964 1.00 1.32 C ATOM 0 H ILE A 57 -2.254 -4.465 -0.264 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.835 -2.235 1.597 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.924 -2.560 -1.182 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -2.001 -0.915 -1.814 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.185 -1.554 -0.401 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.041 -0.089 -1.059 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.938 -0.865 0.268 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.339 -0.148 0.576 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.526 -2.795 -2.429 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.400 -3.861 -1.302 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -2.229 -3.212 -2.738 1.00 1.32 H new ATOM 879 N GLU A 58 -5.367 -2.799 1.760 1.00 0.23 N ATOM 880 CA GLU A 58 -6.672 -3.342 2.120 1.00 0.25 C ATOM 881 C GLU A 58 -7.618 -2.239 2.563 1.00 0.24 C ATOM 882 O GLU A 58 -7.239 -1.336 3.308 1.00 0.26 O ATOM 883 CB GLU A 58 -6.521 -4.371 3.234 1.00 0.32 C ATOM 884 CG GLU A 58 -7.825 -5.119 3.489 1.00 0.37 C ATOM 885 CD GLU A 58 -7.772 -5.830 4.835 1.00 0.82 C ATOM 886 OE1 GLU A 58 -6.917 -5.462 5.669 1.00 1.47 O ATOM 887 OE2 GLU A 58 -8.584 -6.753 5.054 1.00 1.56 O ATOM 0 H GLU A 58 -5.211 -1.835 2.054 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.094 -3.823 1.238 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -5.739 -5.082 2.969 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.202 -3.873 4.149 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.662 -4.421 3.471 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -7.998 -5.844 2.694 1.00 0.37 H new ATOM 894 N GLY A 59 -8.853 -2.327 2.093 1.00 0.25 N ATOM 895 CA GLY A 59 -9.879 -1.349 2.423 1.00 0.27 C ATOM 896 C GLY A 59 -11.258 -1.950 2.209 1.00 0.39 C ATOM 897 O GLY A 59 -11.566 -3.018 2.741 1.00 0.59 O ATOM 0 H GLY A 59 -9.171 -3.074 1.475 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.769 -1.030 3.460 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.760 -0.461 1.802 1.00 0.27 H new ATOM 901 N ASP A 60 -12.083 -1.276 1.417 1.00 0.53 N ATOM 902 CA ASP A 60 -13.420 -1.773 1.135 1.00 0.70 C ATOM 903 C ASP A 60 -13.960 -1.199 -0.169 1.00 0.59 C ATOM 904 O ASP A 60 -14.144 -1.930 -1.142 1.00 1.04 O ATOM 905 CB ASP A 60 -14.362 -1.448 2.291 1.00 1.22 C ATOM 906 CG ASP A 60 -14.649 -2.700 3.111 1.00 1.93 C ATOM 907 OD1 ASP A 60 -13.898 -3.688 2.973 1.00 2.31 O ATOM 908 OD2 ASP A 60 -15.624 -2.689 3.892 1.00 2.66 O ATOM 0 H ASP A 60 -11.851 -0.392 0.963 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.359 -2.856 1.024 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.917 -0.683 2.927 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.295 -1.037 1.904 1.00 1.22 H new ATOM 913 N PRO A 61 -14.220 0.118 -0.217 1.00 0.72 N ATOM 914 CA PRO A 61 -14.736 0.760 -1.430 1.00 1.14 C ATOM 915 C PRO A 61 -13.673 0.848 -2.515 1.00 0.88 C ATOM 916 O PRO A 61 -12.589 0.281 -2.382 1.00 1.22 O ATOM 917 CB PRO A 61 -15.163 2.144 -0.950 1.00 1.82 C ATOM 918 CG PRO A 61 -14.335 2.412 0.261 1.00 1.82 C ATOM 919 CD PRO A 61 -14.027 1.077 0.885 1.00 1.17 C ATOM 0 HA PRO A 61 -15.554 0.201 -1.885 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.991 2.897 -1.719 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.227 2.167 -0.713 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.416 2.934 -0.007 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.872 3.051 0.962 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -13.008 1.042 1.271 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.693 0.864 1.721 1.00 1.17 H new ATOM 927 N GLN A 62 -13.983 1.570 -3.586 1.00 0.64 N ATOM 928 CA GLN A 62 -13.045 1.737 -4.688 1.00 0.47 C ATOM 929 C GLN A 62 -11.725 2.321 -4.187 1.00 0.41 C ATOM 930 O GLN A 62 -10.696 2.210 -4.851 1.00 0.47 O ATOM 931 CB GLN A 62 -13.646 2.653 -5.749 1.00 0.69 C ATOM 932 CG GLN A 62 -14.893 2.040 -6.381 1.00 0.85 C ATOM 933 CD GLN A 62 -15.037 2.504 -7.824 1.00 1.34 C ATOM 934 OE1 GLN A 62 -15.066 1.692 -8.749 1.00 2.14 O ATOM 935 NE2 GLN A 62 -15.129 3.814 -8.017 1.00 1.73 N ATOM 0 H GLN A 62 -14.875 2.048 -3.714 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.849 0.758 -5.126 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.900 3.613 -5.300 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.904 2.849 -6.523 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.829 0.952 -6.346 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.776 2.326 -5.810 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -15.100 4.450 -7.220 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -15.228 4.185 -8.962 1.00 1.73 H new ATOM 944 N GLY A 63 -11.765 2.955 -3.017 1.00 0.37 N ATOM 945 CA GLY A 63 -10.582 3.569 -2.430 1.00 0.34 C ATOM 946 C GLY A 63 -9.408 2.596 -2.349 1.00 0.27 C ATOM 947 O GLY A 63 -8.280 2.957 -2.684 1.00 0.29 O ATOM 0 H GLY A 63 -12.611 3.056 -2.456 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.293 4.437 -3.023 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.821 3.932 -1.430 1.00 0.34 H new ATOM 951 N VAL A 64 -9.661 1.373 -1.884 1.00 0.24 N ATOM 952 CA VAL A 64 -8.593 0.386 -1.751 1.00 0.21 C ATOM 953 C VAL A 64 -7.978 0.046 -3.108 1.00 0.24 C ATOM 954 O VAL A 64 -6.757 -0.018 -3.242 1.00 0.28 O ATOM 955 CB VAL A 64 -9.092 -0.882 -1.040 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.860 -1.814 -1.975 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.909 -1.615 -0.419 1.00 0.26 C ATOM 0 H VAL A 64 -10.583 1.046 -1.597 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.812 0.830 -1.134 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.789 -0.572 -0.262 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.190 -2.694 -1.422 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.728 -1.292 -2.377 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.211 -2.123 -2.794 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.262 -2.514 0.085 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.201 -1.892 -1.201 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.416 -0.964 0.303 1.00 0.26 H new ATOM 967 N GLN A 65 -8.822 -0.168 -4.113 1.00 0.25 N ATOM 968 CA GLN A 65 -8.338 -0.497 -5.449 1.00 0.30 C ATOM 969 C GLN A 65 -7.716 0.730 -6.103 1.00 0.30 C ATOM 970 O GLN A 65 -6.839 0.612 -6.960 1.00 0.34 O ATOM 971 CB GLN A 65 -9.481 -1.024 -6.311 1.00 0.37 C ATOM 972 CG GLN A 65 -10.607 -0.004 -6.439 1.00 0.42 C ATOM 973 CD GLN A 65 -11.665 -0.502 -7.416 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.209 -1.594 -7.254 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.957 0.302 -8.432 1.00 0.82 N ATOM 0 H GLN A 65 -9.837 -0.120 -4.029 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.577 -1.272 -5.360 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.103 -1.276 -7.302 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.871 -1.944 -5.876 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.059 0.173 -5.463 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.206 0.949 -6.782 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.480 1.199 -8.526 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.658 0.023 -9.118 1.00 0.82 H new ATOM 984 N GLN A 66 -8.168 1.910 -5.688 1.00 0.29 N ATOM 985 CA GLN A 66 -7.652 3.162 -6.226 1.00 0.31 C ATOM 986 C GLN A 66 -6.240 3.412 -5.714 1.00 0.29 C ATOM 987 O GLN A 66 -5.287 3.462 -6.491 1.00 0.36 O ATOM 988 CB GLN A 66 -8.562 4.318 -5.822 1.00 0.35 C ATOM 989 CG GLN A 66 -9.098 5.067 -7.039 1.00 0.79 C ATOM 990 CD GLN A 66 -10.621 5.088 -7.019 1.00 1.10 C ATOM 991 OE1 GLN A 66 -11.240 4.974 -5.960 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.227 5.234 -8.191 1.00 1.31 N ATOM 0 H GLN A 66 -8.892 2.024 -4.979 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.626 3.092 -7.313 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.396 3.936 -5.234 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.011 5.009 -5.183 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.714 6.087 -7.045 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -8.746 4.588 -7.953 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -10.674 5.325 -9.043 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.246 5.255 -8.239 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.113 3.565 -4.400 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.817 3.805 -3.779 1.00 0.27 C ATOM 1003 C ALA A 67 -3.845 2.691 -4.142 1.00 0.26 C ATOM 1004 O ALA A 67 -2.639 2.915 -4.246 1.00 0.30 O ATOM 1005 CB ALA A 67 -4.970 3.890 -2.264 1.00 0.29 C ATOM 0 H ALA A 67 -6.893 3.527 -3.744 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.422 4.751 -4.149 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -3.996 4.070 -1.809 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.644 4.708 -2.012 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.379 2.953 -1.887 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.378 1.490 -4.344 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.558 0.341 -4.704 1.00 0.28 C ATOM 1013 C LYS A 68 -2.881 0.586 -6.046 1.00 0.31 C ATOM 1014 O LYS A 68 -1.692 0.899 -6.103 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.423 -0.917 -4.768 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.620 -2.133 -5.222 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.414 -3.001 -6.194 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.495 -3.834 -7.083 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.232 -4.398 -8.247 1.00 0.88 N ATOM 0 H LYS A 68 -5.375 1.288 -4.264 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.789 0.199 -3.945 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.855 -1.112 -3.786 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.254 -0.753 -5.454 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.697 -1.803 -5.699 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.335 -2.726 -4.353 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.077 -3.661 -5.635 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.046 -2.367 -6.816 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.670 -3.216 -7.437 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.058 -4.644 -6.499 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.580 -4.959 -8.832 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.004 -5.007 -7.907 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.628 -3.623 -8.816 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.647 0.450 -7.125 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.124 0.667 -8.471 1.00 0.43 C ATOM 1035 C ARG A 69 -2.386 1.998 -8.547 1.00 0.42 C ATOM 1036 O ARG A 69 -1.422 2.146 -9.297 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.267 0.660 -9.483 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.493 -0.730 -10.071 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.979 -1.068 -10.152 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.245 -1.918 -11.308 1.00 1.81 N ATOM 1041 CZ ARG A 69 -6.204 -1.444 -12.549 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.263 -0.834 -13.064 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -5.104 -1.580 -13.277 1.00 2.98 N ATOM 0 H ARG A 69 -4.633 0.190 -7.094 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.428 -0.138 -8.705 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.182 1.004 -9.001 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.046 1.363 -10.286 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -4.052 -0.781 -11.067 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.983 -1.473 -9.458 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -6.293 -1.575 -9.240 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -6.564 -0.151 -10.225 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.468 -2.902 -11.160 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -8.111 -0.728 -12.507 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -7.229 -0.471 -14.017 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -4.288 -2.049 -12.885 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -5.074 -1.216 -14.229 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.849 2.964 -7.761 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.241 4.288 -7.731 1.00 0.43 C ATOM 1059 C GLU A 70 -0.810 4.212 -7.214 1.00 0.44 C ATOM 1060 O GLU A 70 0.069 4.934 -7.683 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.063 5.215 -6.841 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.515 6.640 -6.858 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.158 7.442 -7.982 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -4.095 6.922 -8.625 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -2.724 8.589 -8.218 1.00 1.50 O ATOM 0 H GLU A 70 -3.646 2.854 -7.134 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.222 4.683 -8.747 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.100 5.219 -7.178 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.061 4.836 -5.819 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.710 7.123 -5.900 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.433 6.619 -6.990 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.582 3.334 -6.241 1.00 0.40 N ATOM 1073 CA LEU A 71 0.743 3.165 -5.655 1.00 0.47 C ATOM 1074 C LEU A 71 1.666 2.424 -6.614 1.00 0.52 C ATOM 1075 O LEU A 71 2.818 2.812 -6.810 1.00 0.60 O ATOM 1076 CB LEU A 71 0.638 2.397 -4.341 1.00 0.51 C ATOM 1077 CG LEU A 71 0.020 3.251 -3.238 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.627 2.374 -2.170 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.067 4.173 -2.618 1.00 1.15 C ATOM 0 H LEU A 71 -1.299 2.728 -5.842 1.00 0.40 H new ATOM 0 HA LEU A 71 1.163 4.153 -5.463 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.034 1.502 -4.490 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.630 2.065 -4.033 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.758 3.870 -3.685 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.061 3.005 -1.394 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.410 1.767 -2.623 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.127 1.723 -1.728 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.605 4.773 -1.834 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.871 3.574 -2.191 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.473 4.831 -3.386 1.00 1.15 H new ATOM 1091 N LEU A 72 1.154 1.352 -7.209 1.00 0.52 N ATOM 1092 CA LEU A 72 1.932 0.551 -8.148 1.00 0.63 C ATOM 1093 C LEU A 72 2.279 1.358 -9.393 1.00 0.67 C ATOM 1094 O LEU A 72 3.262 1.071 -10.075 1.00 0.83 O ATOM 1095 CB LEU A 72 1.145 -0.696 -8.543 1.00 0.66 C ATOM 1096 CG LEU A 72 2.059 -1.903 -8.726 1.00 0.88 C ATOM 1097 CD1 LEU A 72 1.241 -3.170 -8.948 1.00 1.04 C ATOM 1098 CD2 LEU A 72 3.028 -1.676 -9.882 1.00 1.99 C ATOM 0 H LEU A 72 0.202 1.017 -7.058 1.00 0.52 H new ATOM 0 HA LEU A 72 2.860 0.255 -7.659 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.401 -0.915 -7.777 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.602 -0.506 -9.469 1.00 0.66 H new ATOM 0 HG LEU A 72 2.642 -2.030 -7.814 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.913 -4.019 -9.076 1.00 1.04 H new ATOM 0 HD12 LEU A 72 0.598 -3.343 -8.085 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.627 -3.055 -9.841 1.00 1.04 H new ATOM 0 HD21 LEU A 72 3.671 -2.549 -9.995 1.00 1.99 H new ATOM 0 HD22 LEU A 72 2.466 -1.518 -10.802 1.00 1.99 H new ATOM 0 HD23 LEU A 72 3.641 -0.799 -9.676 1.00 1.99 H new ATOM 1110 N GLU A 73 1.465 2.367 -9.689 1.00 0.64 N ATOM 1111 CA GLU A 73 1.687 3.211 -10.858 1.00 0.74 C ATOM 1112 C GLU A 73 2.527 4.429 -10.496 1.00 0.71 C ATOM 1113 O GLU A 73 3.733 4.457 -10.738 1.00 0.88 O ATOM 1114 CB GLU A 73 0.348 3.658 -11.438 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.369 2.512 -12.145 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.324 2.710 -13.654 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -0.582 3.842 -14.114 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -0.029 1.733 -14.374 1.00 2.01 O ATOM 0 H GLU A 73 0.646 2.620 -9.136 1.00 0.64 H new ATOM 0 HA GLU A 73 2.228 2.629 -11.604 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.284 4.045 -10.639 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.510 4.475 -12.141 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.100 1.564 -11.882 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.405 2.460 -11.809 1.00 1.00 H new ATOM 1125 N LEU A 74 1.881 5.438 -9.920 1.00 0.64 N ATOM 1126 CA LEU A 74 2.567 6.664 -9.531 1.00 0.71 C ATOM 1127 C LEU A 74 3.412 6.435 -8.283 1.00 0.82 C ATOM 1128 O LEU A 74 4.495 7.003 -8.146 1.00 1.13 O ATOM 1129 CB LEU A 74 1.550 7.773 -9.275 1.00 0.85 C ATOM 1130 CG LEU A 74 0.584 7.928 -10.446 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.829 8.210 -9.947 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.053 9.031 -11.391 1.00 1.32 C ATOM 0 H LEU A 74 0.882 5.430 -9.712 1.00 0.64 H new ATOM 0 HA LEU A 74 3.226 6.964 -10.345 1.00 0.71 H new ATOM 0 HB2 LEU A 74 0.990 7.551 -8.367 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.072 8.715 -9.106 1.00 0.85 H new ATOM 0 HG LEU A 74 0.568 6.989 -11.000 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.501 8.317 -10.799 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.165 7.384 -9.321 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.832 9.131 -9.364 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.350 9.124 -12.219 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.105 9.976 -10.850 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.040 8.781 -11.780 1.00 1.32 H new ATOM 1144 N ALA A 75 2.913 5.601 -7.377 1.00 0.78 N ATOM 1145 CA ALA A 75 3.627 5.299 -6.142 1.00 0.99 C ATOM 1146 C ALA A 75 3.819 6.563 -5.314 1.00 1.70 C ATOM 1147 O ALA A 75 4.857 6.749 -4.679 1.00 2.16 O ATOM 1148 CB ALA A 75 4.982 4.677 -6.462 1.00 1.14 C ATOM 0 H ALA A 75 2.018 5.122 -7.475 1.00 0.78 H new ATOM 0 HA ALA A 75 3.035 4.590 -5.563 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.509 4.455 -5.534 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.835 3.756 -7.026 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.572 5.375 -7.055 1.00 1.14 H new