USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 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 55 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 SER OG : rot -100:sc= 0.0715 USER MOD Set 2.1: A 51 HIS : no HD1:sc= 0.456 K(o=0.52,f=-4.6!) USER MOD Set 2.2: A 80 THR OG1 : rot -104:sc= 0.0678 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -63:sc= 1 USER MOD Single : A 38 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.053) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0629) USER MOD Single : A 40 HIS : no HD1:sc= -0.376 K(o=-0.38,f=-2.2) USER MOD Single : A 41 ASN : amide:sc= 0.0299 K(o=0.03,f=-3.8!) USER MOD Single : A 42 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.7) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -16:sc= 0.0741 USER MOD Single : A 52 HIS : no HD1:sc= -0.064 K(o=-0.064,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0745 (180deg=-0.366) USER MOD Single : A 58 THR OG1 : rot -79:sc= 1.7 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.41 K(o=-0.41,f=-1.7!) USER MOD Single : A 74 GLN :FLIP amide:sc=-0.00722 F(o=-1,f=-0.0072) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 146:sc= -0.186 (180deg=-0.747) USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= 1.02 (180deg=0.563) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS :FLIP no HD1:sc= -0.489 F(o=-1.7,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 5.783 -8.661 -1.995 1.00 1.65 N ATOM 109 CA VAL A 29 5.054 -7.404 -1.932 1.00 1.29 C ATOM 110 C VAL A 29 4.918 -7.015 -0.470 1.00 1.04 C ATOM 111 O VAL A 29 4.472 -7.829 0.341 1.00 1.10 O ATOM 112 CB VAL A 29 3.637 -7.517 -2.547 1.00 1.34 C ATOM 113 CG1 VAL A 29 2.991 -6.143 -2.630 1.00 1.70 C ATOM 114 CG2 VAL A 29 3.686 -8.169 -3.917 1.00 1.82 C ATOM 0 HA VAL A 29 5.605 -6.658 -2.504 1.00 1.29 H new ATOM 0 HB VAL A 29 3.032 -8.151 -1.898 1.00 1.34 H new ATOM 0 HG11 VAL A 29 1.995 -6.235 -3.064 1.00 1.70 H new ATOM 0 HG12 VAL A 29 2.913 -5.717 -1.630 1.00 1.70 H new ATOM 0 HG13 VAL A 29 3.601 -5.491 -3.256 1.00 1.70 H new ATOM 0 HG21 VAL A 29 2.677 -8.235 -4.325 1.00 1.82 H new ATOM 0 HG22 VAL A 29 4.308 -7.571 -4.583 1.00 1.82 H new ATOM 0 HG23 VAL A 29 4.108 -9.170 -3.829 1.00 1.82 H new ATOM 124 N LYS A 30 5.322 -5.800 -0.115 1.00 0.90 N ATOM 125 CA LYS A 30 5.230 -5.372 1.272 1.00 0.79 C ATOM 126 C LYS A 30 3.784 -5.259 1.696 1.00 0.63 C ATOM 127 O LYS A 30 3.049 -4.403 1.211 1.00 0.66 O ATOM 128 CB LYS A 30 5.955 -4.043 1.533 1.00 0.87 C ATOM 129 CG LYS A 30 7.469 -4.160 1.558 1.00 1.26 C ATOM 130 CD LYS A 30 8.139 -2.837 1.914 1.00 2.11 C ATOM 131 CE LYS A 30 7.954 -1.787 0.827 1.00 2.93 C ATOM 132 NZ LYS A 30 8.601 -0.497 1.183 1.00 3.71 N ATOM 0 H LYS A 30 5.709 -5.107 -0.756 1.00 0.90 H new ATOM 0 HA LYS A 30 5.729 -6.136 1.868 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.669 -3.327 0.762 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.616 -3.637 2.486 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.762 -4.921 2.282 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.823 -4.495 0.583 1.00 1.26 H new ATOM 0 HD2 LYS A 30 7.726 -2.464 2.851 1.00 2.11 H new ATOM 0 HD3 LYS A 30 9.204 -3.004 2.078 1.00 2.11 H new ATOM 0 HE2 LYS A 30 8.373 -2.156 -0.109 1.00 2.93 H new ATOM 0 HE3 LYS A 30 6.890 -1.624 0.658 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 8.451 0.190 0.416 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 8.184 -0.131 2.062 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 9.621 -0.646 1.320 1.00 3.71 H new ATOM 146 N TYR A 31 3.379 -6.134 2.588 1.00 0.56 N ATOM 147 CA TYR A 31 2.038 -6.090 3.120 1.00 0.49 C ATOM 148 C TYR A 31 2.040 -5.476 4.512 1.00 0.50 C ATOM 149 O TYR A 31 3.023 -5.588 5.246 1.00 0.64 O ATOM 150 CB TYR A 31 1.411 -7.485 3.186 1.00 0.56 C ATOM 151 CG TYR A 31 1.370 -8.232 1.869 1.00 0.63 C ATOM 152 CD1 TYR A 31 0.694 -7.704 0.775 1.00 0.61 C ATOM 153 CD2 TYR A 31 2.016 -9.451 1.712 1.00 0.81 C ATOM 154 CE1 TYR A 31 0.669 -8.363 -0.437 1.00 0.75 C ATOM 155 CE2 TYR A 31 1.998 -10.118 0.501 1.00 0.94 C ATOM 156 CZ TYR A 31 1.273 -9.635 -0.531 1.00 0.89 C ATOM 157 OH TYR A 31 1.297 -10.223 -1.781 1.00 1.06 O ATOM 0 H TYR A 31 3.960 -6.885 2.960 1.00 0.56 H new ATOM 0 HA TYR A 31 1.442 -5.475 2.446 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.967 -8.083 3.908 1.00 0.56 H new ATOM 0 HB3 TYR A 31 0.393 -7.392 3.565 1.00 0.56 H new ATOM 0 HD1 TYR A 31 0.179 -6.760 0.876 1.00 0.61 H new ATOM 0 HD2 TYR A 31 2.541 -9.885 2.550 1.00 0.81 H new ATOM 0 HE1 TYR A 31 0.196 -7.914 -1.298 1.00 0.75 H new ATOM 0 HE2 TYR A 31 2.566 -11.029 0.380 1.00 0.94 H new ATOM 0 HH TYR A 31 1.739 -11.096 -1.723 1.00 1.06 H new ATOM 167 N TYR A 32 0.943 -4.838 4.870 1.00 0.43 N ATOM 168 CA TYR A 32 0.762 -4.337 6.222 1.00 0.46 C ATOM 169 C TYR A 32 -0.610 -4.750 6.736 1.00 0.53 C ATOM 170 O TYR A 32 -1.509 -5.016 5.948 1.00 0.89 O ATOM 171 CB TYR A 32 0.926 -2.818 6.259 1.00 0.46 C ATOM 172 CG TYR A 32 2.269 -2.353 5.731 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.441 -2.049 4.387 1.00 0.98 C ATOM 174 CD2 TYR A 32 3.360 -2.192 6.582 1.00 1.09 C ATOM 175 CE1 TYR A 32 3.662 -1.611 3.904 1.00 1.03 C ATOM 176 CE2 TYR A 32 4.578 -1.748 6.109 1.00 1.20 C ATOM 177 CZ TYR A 32 4.746 -1.541 4.753 1.00 0.81 C ATOM 178 OH TYR A 32 5.938 -1.008 4.303 1.00 0.96 O ATOM 0 H TYR A 32 0.160 -4.653 4.243 1.00 0.43 H new ATOM 0 HA TYR A 32 1.525 -4.768 6.870 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.132 -2.358 5.671 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.805 -2.470 7.285 1.00 0.46 H new ATOM 0 HD1 TYR A 32 1.608 -2.156 3.707 1.00 0.98 H new ATOM 0 HD2 TYR A 32 3.251 -2.419 7.632 1.00 1.09 H new ATOM 0 HE1 TYR A 32 3.765 -1.326 2.867 1.00 1.03 H new ATOM 0 HE2 TYR A 32 5.393 -1.564 6.793 1.00 1.20 H new ATOM 0 HH TYR A 32 6.600 -1.031 5.025 1.00 0.96 H new ATOM 188 N THR A 33 -0.772 -4.844 8.038 1.00 0.48 N ATOM 189 CA THR A 33 -2.062 -5.232 8.587 1.00 0.57 C ATOM 190 C THR A 33 -2.997 -4.030 8.629 1.00 0.56 C ATOM 191 O THR A 33 -2.535 -2.889 8.674 1.00 0.60 O ATOM 192 CB THR A 33 -1.929 -5.834 10.004 1.00 0.72 C ATOM 193 OG1 THR A 33 -1.235 -4.924 10.865 1.00 0.77 O ATOM 194 CG2 THR A 33 -1.188 -7.170 9.975 1.00 0.82 C ATOM 0 H THR A 33 -0.044 -4.662 8.729 1.00 0.48 H new ATOM 0 HA THR A 33 -2.476 -6.000 7.933 1.00 0.57 H new ATOM 0 HB THR A 33 -2.936 -6.006 10.385 1.00 0.72 H new ATOM 0 HG1 THR A 33 -0.323 -4.789 10.532 1.00 0.77 H new ATOM 0 HG21 THR A 33 -1.112 -7.566 10.988 1.00 0.82 H new ATOM 0 HG22 THR A 33 -1.735 -7.876 9.350 1.00 0.82 H new ATOM 0 HG23 THR A 33 -0.188 -7.023 9.567 1.00 0.82 H new ATOM 202 N LEU A 34 -4.303 -4.269 8.594 1.00 0.60 N ATOM 203 CA LEU A 34 -5.263 -3.177 8.695 1.00 0.64 C ATOM 204 C LEU A 34 -5.022 -2.394 9.985 1.00 0.58 C ATOM 205 O LEU A 34 -5.042 -1.161 10.030 1.00 0.59 O ATOM 206 CB LEU A 34 -6.691 -3.735 8.650 1.00 0.86 C ATOM 207 CG LEU A 34 -7.813 -2.699 8.789 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.745 -1.673 7.666 1.00 1.23 C ATOM 209 CD2 LEU A 34 -9.162 -3.395 8.799 1.00 1.46 C ATOM 0 H LEU A 34 -4.717 -5.196 8.498 1.00 0.60 H new ATOM 0 HA LEU A 34 -5.133 -2.498 7.852 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.825 -4.265 7.707 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.800 -4.471 9.447 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.684 -2.170 9.733 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.551 -0.949 7.786 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.785 -1.158 7.702 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -7.850 -2.177 6.705 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.954 -2.652 8.898 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -9.295 -3.945 7.867 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -9.208 -4.088 9.639 1.00 1.46 H new ATOM 221 N GLU A 35 -4.765 -3.187 11.034 1.00 0.65 N ATOM 222 CA GLU A 35 -4.681 -2.728 12.413 1.00 0.77 C ATOM 223 C GLU A 35 -3.588 -1.687 12.608 1.00 0.73 C ATOM 224 O GLU A 35 -3.783 -0.691 13.304 1.00 0.88 O ATOM 225 CB GLU A 35 -4.410 -3.916 13.335 1.00 0.94 C ATOM 226 CG GLU A 35 -4.400 -3.529 14.802 1.00 1.41 C ATOM 227 CD GLU A 35 -3.747 -4.567 15.691 1.00 1.91 C ATOM 228 OE1 GLU A 35 -4.346 -5.648 15.878 1.00 2.34 O ATOM 229 OE2 GLU A 35 -2.625 -4.321 16.181 1.00 2.56 O ATOM 0 H GLU A 35 -4.607 -4.190 10.937 1.00 0.65 H new ATOM 0 HA GLU A 35 -5.635 -2.262 12.659 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -5.170 -4.679 13.170 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -3.450 -4.361 13.074 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -3.875 -2.581 14.917 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -5.425 -3.368 15.135 1.00 1.41 H new ATOM 236 N GLU A 36 -2.427 -1.959 12.016 1.00 0.63 N ATOM 237 CA GLU A 36 -1.225 -1.186 12.281 1.00 0.74 C ATOM 238 C GLU A 36 -1.272 0.160 11.582 1.00 0.67 C ATOM 239 O GLU A 36 -0.554 1.088 11.940 1.00 0.82 O ATOM 240 CB GLU A 36 0.013 -1.973 11.832 1.00 0.85 C ATOM 241 CG GLU A 36 0.160 -2.111 10.325 1.00 0.95 C ATOM 242 CD GLU A 36 1.336 -2.976 9.944 1.00 1.24 C ATOM 243 OE1 GLU A 36 2.454 -2.430 9.785 1.00 1.76 O ATOM 244 OE2 GLU A 36 1.146 -4.197 9.795 1.00 1.67 O ATOM 0 H GLU A 36 -2.297 -2.716 11.345 1.00 0.63 H new ATOM 0 HA GLU A 36 -1.166 -1.005 13.354 1.00 0.74 H new ATOM 0 HB2 GLU A 36 0.903 -1.483 12.228 1.00 0.85 H new ATOM 0 HB3 GLU A 36 -0.025 -2.969 12.273 1.00 0.85 H new ATOM 0 HG2 GLU A 36 -0.753 -2.539 9.910 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.279 -1.123 9.881 1.00 0.95 H new ATOM 251 N ILE A 37 -2.114 0.236 10.556 1.00 0.52 N ATOM 252 CA ILE A 37 -2.278 1.444 9.765 1.00 0.50 C ATOM 253 C ILE A 37 -3.111 2.463 10.531 1.00 0.53 C ATOM 254 O ILE A 37 -3.048 3.662 10.266 1.00 0.72 O ATOM 255 CB ILE A 37 -2.924 1.105 8.403 1.00 0.49 C ATOM 256 CG1 ILE A 37 -2.031 0.123 7.653 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.150 2.356 7.563 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.656 -0.423 6.393 1.00 0.72 C ATOM 0 H ILE A 37 -2.701 -0.541 10.252 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.298 1.882 9.574 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.899 0.653 8.587 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -1.094 0.619 7.398 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.783 -0.707 8.314 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.606 2.079 6.612 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.811 3.038 8.097 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.195 2.847 7.378 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.963 -1.114 5.913 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.578 -0.948 6.642 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.879 0.398 5.712 1.00 0.72 H new ATOM 270 N GLN A 38 -3.873 1.965 11.501 1.00 0.48 N ATOM 271 CA GLN A 38 -4.564 2.819 12.468 1.00 0.52 C ATOM 272 C GLN A 38 -3.547 3.470 13.396 1.00 0.54 C ATOM 273 O GLN A 38 -3.814 4.472 14.045 1.00 0.64 O ATOM 274 CB GLN A 38 -5.556 1.992 13.287 1.00 0.56 C ATOM 275 CG GLN A 38 -6.819 1.633 12.533 1.00 0.78 C ATOM 276 CD GLN A 38 -7.776 2.803 12.408 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.665 2.978 13.237 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.588 3.631 11.391 1.00 0.74 N ATOM 0 H GLN A 38 -4.029 0.967 11.640 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.110 3.594 11.930 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -5.067 1.075 13.615 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.825 2.549 14.185 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.555 1.277 11.537 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -7.321 0.811 13.043 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.839 3.454 10.721 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.192 4.445 11.278 1.00 0.74 H new ATOM 287 N LYS A 39 -2.373 2.857 13.455 1.00 0.54 N ATOM 288 CA LYS A 39 -1.280 3.322 14.300 1.00 0.62 C ATOM 289 C LYS A 39 -0.408 4.295 13.516 1.00 0.58 C ATOM 290 O LYS A 39 0.563 4.854 14.032 1.00 0.66 O ATOM 291 CB LYS A 39 -0.451 2.116 14.750 1.00 0.77 C ATOM 292 CG LYS A 39 0.300 2.322 16.059 1.00 1.28 C ATOM 293 CD LYS A 39 -0.643 2.514 17.231 1.00 1.57 C ATOM 294 CE LYS A 39 -1.475 1.262 17.444 1.00 2.08 C ATOM 295 NZ LYS A 39 -0.672 0.123 17.976 1.00 2.52 N ATOM 0 H LYS A 39 -2.150 2.020 12.916 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.678 3.834 15.176 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -1.112 1.255 14.856 1.00 0.77 H new ATOM 0 HB3 LYS A 39 0.267 1.872 13.967 1.00 0.77 H new ATOM 0 HG2 LYS A 39 0.942 1.462 16.248 1.00 1.28 H new ATOM 0 HG3 LYS A 39 0.950 3.192 15.971 1.00 1.28 H new ATOM 0 HD2 LYS A 39 -0.073 2.739 18.133 1.00 1.57 H new ATOM 0 HD3 LYS A 39 -1.296 3.367 17.046 1.00 1.57 H new ATOM 0 HE2 LYS A 39 -2.287 1.484 18.136 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -1.932 0.969 16.499 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 -1.308 -0.654 18.246 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 -0.012 -0.209 17.244 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 -0.135 0.436 18.810 1.00 2.52 H new ATOM 309 N HIS A 40 -0.763 4.478 12.255 1.00 0.53 N ATOM 310 CA HIS A 40 0.011 5.301 11.340 1.00 0.56 C ATOM 311 C HIS A 40 -0.865 6.419 10.796 1.00 0.65 C ATOM 312 O HIS A 40 -0.772 6.785 9.629 1.00 0.93 O ATOM 313 CB HIS A 40 0.551 4.431 10.191 1.00 0.56 C ATOM 314 CG HIS A 40 1.543 3.396 10.628 1.00 0.93 C ATOM 315 ND1 HIS A 40 1.448 2.058 10.289 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.659 3.512 11.375 1.00 1.39 C ATOM 317 CE1 HIS A 40 2.470 1.403 10.810 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.218 2.262 11.474 1.00 1.80 N ATOM 0 H HIS A 40 -1.595 4.061 11.837 1.00 0.53 H new ATOM 0 HA HIS A 40 0.855 5.743 11.869 1.00 0.56 H new ATOM 0 HB2 HIS A 40 -0.286 3.934 9.700 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.018 5.077 9.448 1.00 0.56 H new ATOM 0 HD2 HIS A 40 3.043 4.421 11.815 1.00 1.39 H new ATOM 0 HE1 HIS A 40 2.660 0.345 10.709 1.00 1.59 H new ATOM 0 HE2 HIS A 40 4.074 2.035 11.980 1.00 1.80 H new ATOM 327 N ASN A 41 -1.728 6.941 11.665 1.00 0.56 N ATOM 328 CA ASN A 41 -2.779 7.888 11.275 1.00 0.64 C ATOM 329 C ASN A 41 -2.552 9.265 11.899 1.00 0.82 C ATOM 330 O ASN A 41 -3.488 10.054 12.060 1.00 1.20 O ATOM 331 CB ASN A 41 -4.131 7.337 11.747 1.00 0.69 C ATOM 332 CG ASN A 41 -4.294 7.372 13.263 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.319 7.329 14.020 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.537 7.437 13.710 1.00 1.74 N ATOM 0 H ASN A 41 -1.721 6.721 12.661 1.00 0.56 H new ATOM 0 HA ASN A 41 -2.761 8.002 10.191 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -4.933 7.915 11.288 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.239 6.310 11.399 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -5.718 7.453 14.714 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.315 7.471 13.051 1.00 1.74 H new ATOM 341 N HIS A 42 -1.307 9.560 12.245 1.00 0.73 N ATOM 342 CA HIS A 42 -1.015 10.699 13.111 1.00 0.97 C ATOM 343 C HIS A 42 0.211 11.493 12.647 1.00 1.06 C ATOM 344 O HIS A 42 0.768 11.237 11.592 1.00 1.54 O ATOM 345 CB HIS A 42 -0.829 10.217 14.559 1.00 1.05 C ATOM 346 CG HIS A 42 0.217 9.155 14.733 1.00 0.90 C ATOM 347 ND1 HIS A 42 1.528 9.317 14.348 1.00 0.81 N ATOM 348 CD2 HIS A 42 0.132 7.908 15.258 1.00 1.14 C ATOM 349 CE1 HIS A 42 2.206 8.219 14.623 1.00 0.87 C ATOM 350 NE2 HIS A 42 1.381 7.348 15.177 1.00 1.08 N ATOM 0 H HIS A 42 -0.487 9.033 11.944 1.00 0.73 H new ATOM 0 HA HIS A 42 -1.866 11.378 13.057 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.567 11.072 15.182 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -1.781 9.835 14.926 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -0.754 7.443 15.664 1.00 1.14 H new ATOM 0 HE1 HIS A 42 3.256 8.059 14.428 1.00 0.87 H new ATOM 0 HE2 HIS A 42 1.632 6.411 15.493 1.00 1.08 H new ATOM 359 N SER A 43 0.625 12.436 13.501 1.00 1.01 N ATOM 360 CA SER A 43 1.764 13.331 13.251 1.00 1.12 C ATOM 361 C SER A 43 2.959 12.613 12.613 1.00 0.97 C ATOM 362 O SER A 43 3.327 12.885 11.477 1.00 1.05 O ATOM 363 CB SER A 43 2.196 13.988 14.573 1.00 1.34 C ATOM 364 OG SER A 43 3.333 14.813 14.395 1.00 2.00 O ATOM 0 H SER A 43 0.172 12.602 14.400 1.00 1.01 H new ATOM 0 HA SER A 43 1.432 14.086 12.538 1.00 1.12 H new ATOM 0 HB2 SER A 43 1.373 14.582 14.971 1.00 1.34 H new ATOM 0 HB3 SER A 43 2.417 13.215 15.309 1.00 1.34 H new ATOM 0 HG SER A 43 3.581 15.217 15.253 1.00 2.00 H new ATOM 370 N LYS A 44 3.560 11.699 13.383 1.00 0.89 N ATOM 371 CA LYS A 44 4.828 11.062 13.014 1.00 0.89 C ATOM 372 C LYS A 44 4.729 10.260 11.715 1.00 0.77 C ATOM 373 O LYS A 44 5.747 9.978 11.088 1.00 0.94 O ATOM 374 CB LYS A 44 5.306 10.151 14.161 1.00 1.01 C ATOM 375 CG LYS A 44 6.719 9.602 13.980 1.00 1.53 C ATOM 376 CD LYS A 44 7.739 10.698 13.674 1.00 2.16 C ATOM 377 CE LYS A 44 7.905 11.687 14.816 1.00 2.63 C ATOM 378 NZ LYS A 44 8.869 12.762 14.452 1.00 3.26 N ATOM 0 H LYS A 44 3.183 11.381 14.276 1.00 0.89 H new ATOM 0 HA LYS A 44 5.552 11.858 12.842 1.00 0.89 H new ATOM 0 HB2 LYS A 44 5.263 10.710 15.096 1.00 1.01 H new ATOM 0 HB3 LYS A 44 4.614 9.315 14.258 1.00 1.01 H new ATOM 0 HG2 LYS A 44 7.019 9.074 14.885 1.00 1.53 H new ATOM 0 HG3 LYS A 44 6.721 8.872 13.170 1.00 1.53 H new ATOM 0 HD2 LYS A 44 8.703 10.239 13.454 1.00 2.16 H new ATOM 0 HD3 LYS A 44 7.430 11.235 12.777 1.00 2.16 H new ATOM 0 HE2 LYS A 44 6.939 12.128 15.064 1.00 2.63 H new ATOM 0 HE3 LYS A 44 8.255 11.165 15.706 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 8.966 13.425 15.247 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 9.795 12.340 14.238 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 8.520 13.273 13.616 1.00 3.26 H new ATOM 392 N SER A 45 3.517 9.906 11.313 1.00 0.63 N ATOM 393 CA SER A 45 3.318 9.095 10.125 1.00 0.62 C ATOM 394 C SER A 45 1.850 9.121 9.711 1.00 0.65 C ATOM 395 O SER A 45 0.971 8.827 10.527 1.00 1.05 O ATOM 396 CB SER A 45 3.783 7.654 10.368 1.00 0.65 C ATOM 397 OG SER A 45 3.611 6.847 9.220 1.00 1.31 O ATOM 0 H SER A 45 2.657 10.169 11.794 1.00 0.63 H new ATOM 0 HA SER A 45 3.917 9.513 9.316 1.00 0.62 H new ATOM 0 HB2 SER A 45 4.834 7.655 10.658 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.223 7.227 11.200 1.00 0.65 H new ATOM 0 HG SER A 45 3.919 5.937 9.411 1.00 1.31 H new ATOM 403 N THR A 46 1.588 9.475 8.459 1.00 0.43 N ATOM 404 CA THR A 46 0.228 9.518 7.938 1.00 0.42 C ATOM 405 C THR A 46 0.081 8.562 6.757 1.00 0.39 C ATOM 406 O THR A 46 0.609 8.816 5.671 1.00 0.47 O ATOM 407 CB THR A 46 -0.150 10.953 7.505 1.00 0.51 C ATOM 408 OG1 THR A 46 0.079 11.846 8.599 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.612 11.047 7.064 1.00 0.64 C ATOM 0 H THR A 46 2.304 9.738 7.782 1.00 0.43 H new ATOM 0 HA THR A 46 -0.449 9.207 8.733 1.00 0.42 H new ATOM 0 HB THR A 46 0.471 11.227 6.652 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.176 11.331 9.427 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.837 12.071 6.768 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.781 10.379 6.219 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.261 10.757 7.891 1.00 0.64 H new ATOM 417 N TRP A 47 -0.600 7.449 6.992 1.00 0.37 N ATOM 418 CA TRP A 47 -0.870 6.482 5.944 1.00 0.36 C ATOM 419 C TRP A 47 -2.343 6.507 5.568 1.00 0.37 C ATOM 420 O TRP A 47 -3.165 7.103 6.266 1.00 0.50 O ATOM 421 CB TRP A 47 -0.497 5.059 6.381 1.00 0.37 C ATOM 422 CG TRP A 47 0.969 4.786 6.426 1.00 0.36 C ATOM 423 CD1 TRP A 47 1.978 5.672 6.221 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.580 3.525 6.698 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.187 5.036 6.339 1.00 0.40 N ATOM 426 CE2 TRP A 47 2.971 3.714 6.634 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.084 2.252 6.985 1.00 0.40 C ATOM 428 CZ2 TRP A 47 3.870 2.670 6.850 1.00 0.45 C ATOM 429 CZ3 TRP A 47 1.977 1.220 7.198 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.356 1.435 7.132 1.00 0.47 C ATOM 0 H TRP A 47 -0.976 7.195 7.905 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.259 6.759 5.085 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.918 4.875 7.369 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.964 4.349 5.698 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.847 6.721 5.998 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.100 5.475 6.226 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.020 2.077 7.040 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 4.936 2.832 6.796 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.603 0.231 7.419 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.029 0.609 7.307 1.00 0.47 H new ATOM 441 N LEU A 48 -2.671 5.845 4.478 1.00 0.31 N ATOM 442 CA LEU A 48 -4.058 5.640 4.099 1.00 0.31 C ATOM 443 C LEU A 48 -4.170 4.392 3.238 1.00 0.28 C ATOM 444 O LEU A 48 -3.162 3.780 2.890 1.00 0.29 O ATOM 445 CB LEU A 48 -4.652 6.852 3.358 1.00 0.37 C ATOM 446 CG LEU A 48 -3.984 7.225 2.026 1.00 0.45 C ATOM 447 CD1 LEU A 48 -4.924 8.074 1.185 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.683 7.983 2.259 1.00 0.55 C ATOM 0 H LEU A 48 -1.993 5.437 3.834 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.635 5.515 5.015 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.707 6.655 3.169 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.603 7.716 4.020 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.757 6.300 1.495 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.438 8.331 0.244 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -5.836 7.513 0.981 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.172 8.987 1.726 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.231 8.234 1.299 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.890 8.898 2.814 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -1.996 7.359 2.831 1.00 0.55 H new ATOM 460 N ILE A 49 -5.388 4.009 2.909 1.00 0.34 N ATOM 461 CA ILE A 49 -5.618 2.875 2.036 1.00 0.36 C ATOM 462 C ILE A 49 -6.601 3.260 0.932 1.00 0.42 C ATOM 463 O ILE A 49 -7.591 3.946 1.184 1.00 0.65 O ATOM 464 CB ILE A 49 -6.175 1.655 2.822 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.254 1.294 3.996 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.348 0.452 1.901 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.800 0.189 4.878 1.00 0.46 C ATOM 0 H ILE A 49 -6.238 4.469 3.235 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.661 2.592 1.599 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.151 1.931 3.221 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.283 0.989 3.605 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.088 2.184 4.603 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.739 -0.390 2.472 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.045 0.703 1.102 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.384 0.182 1.470 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.097 -0.013 5.686 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.757 0.498 5.299 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -5.940 -0.715 4.285 1.00 0.46 H new ATOM 479 N LEU A 50 -6.300 2.864 -0.290 1.00 0.41 N ATOM 480 CA LEU A 50 -7.231 3.021 -1.395 1.00 0.53 C ATOM 481 C LEU A 50 -7.384 1.679 -2.093 1.00 0.78 C ATOM 482 O LEU A 50 -6.566 1.339 -2.949 1.00 1.77 O ATOM 483 CB LEU A 50 -6.748 4.079 -2.401 1.00 0.49 C ATOM 484 CG LEU A 50 -6.671 5.527 -1.885 1.00 0.49 C ATOM 485 CD1 LEU A 50 -6.335 6.480 -3.024 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.974 5.947 -1.230 1.00 0.99 C ATOM 0 H LEU A 50 -5.413 2.429 -0.545 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.188 3.360 -0.999 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.758 3.789 -2.754 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.413 4.059 -3.264 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.880 5.571 -1.136 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -6.284 7.500 -2.642 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -5.372 6.206 -3.456 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -7.107 6.418 -3.791 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.889 6.974 -0.876 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.784 5.880 -1.956 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.186 5.289 -0.387 1.00 0.99 H new ATOM 498 N HIS A 51 -8.397 0.901 -1.707 1.00 0.67 N ATOM 499 CA HIS A 51 -8.660 -0.387 -2.360 1.00 0.73 C ATOM 500 C HIS A 51 -7.512 -1.367 -2.107 1.00 0.82 C ATOM 501 O HIS A 51 -6.787 -1.710 -3.049 1.00 1.80 O ATOM 502 CB HIS A 51 -8.813 -0.211 -3.877 1.00 0.79 C ATOM 503 CG HIS A 51 -10.068 0.467 -4.341 1.00 1.23 C ATOM 504 ND1 HIS A 51 -10.771 0.042 -5.445 1.00 1.87 N ATOM 505 CD2 HIS A 51 -10.727 1.555 -3.879 1.00 1.56 C ATOM 506 CE1 HIS A 51 -11.804 0.836 -5.646 1.00 2.45 C ATOM 507 NE2 HIS A 51 -11.803 1.765 -4.711 1.00 2.30 N ATOM 0 H HIS A 51 -9.044 1.135 -0.954 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.585 -0.779 -1.938 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -7.960 0.359 -4.244 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -8.763 -1.195 -4.343 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -10.458 2.148 -3.017 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -12.528 0.741 -6.442 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -12.487 2.516 -4.619 1.00 2.30 H new ATOM 516 N HIS A 52 -7.337 -1.799 -0.856 1.00 0.46 N ATOM 517 CA HIS A 52 -6.242 -2.714 -0.474 1.00 0.42 C ATOM 518 C HIS A 52 -4.897 -2.007 -0.423 1.00 0.43 C ATOM 519 O HIS A 52 -4.124 -2.202 0.512 1.00 0.81 O ATOM 520 CB HIS A 52 -6.144 -3.916 -1.427 1.00 0.58 C ATOM 521 CG HIS A 52 -7.116 -5.017 -1.127 1.00 1.12 C ATOM 522 ND1 HIS A 52 -8.155 -5.361 -1.968 1.00 1.75 N ATOM 523 CD2 HIS A 52 -7.187 -5.866 -0.076 1.00 1.81 C ATOM 524 CE1 HIS A 52 -8.830 -6.369 -1.436 1.00 2.34 C ATOM 525 NE2 HIS A 52 -8.260 -6.693 -0.292 1.00 2.36 N ATOM 0 H HIS A 52 -7.942 -1.531 -0.079 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.487 -3.072 0.526 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.307 -3.571 -2.448 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.132 -4.318 -1.384 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -6.522 -5.888 0.775 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -9.699 -6.844 -1.866 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -8.568 -7.439 0.332 1.00 2.36 H new ATOM 534 N LYS A 53 -4.607 -1.201 -1.434 1.00 0.33 N ATOM 535 CA LYS A 53 -3.306 -0.567 -1.538 1.00 0.36 C ATOM 536 C LYS A 53 -3.075 0.421 -0.402 1.00 0.29 C ATOM 537 O LYS A 53 -3.814 1.396 -0.259 1.00 0.32 O ATOM 538 CB LYS A 53 -3.123 0.141 -2.878 1.00 0.45 C ATOM 539 CG LYS A 53 -3.334 -0.749 -4.095 1.00 0.66 C ATOM 540 CD LYS A 53 -2.309 -1.866 -4.156 1.00 0.95 C ATOM 541 CE LYS A 53 -2.400 -2.652 -5.456 1.00 1.25 C ATOM 542 NZ LYS A 53 -2.135 -1.800 -6.648 1.00 1.76 N ATOM 0 H LYS A 53 -5.253 -0.973 -2.189 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.567 -1.365 -1.467 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.819 0.978 -2.931 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -2.117 0.559 -2.919 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -4.336 -1.176 -4.065 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -3.271 -0.147 -5.002 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -1.308 -1.446 -4.056 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -2.457 -2.541 -3.313 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -1.684 -3.474 -5.433 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -3.392 -3.096 -5.542 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -1.956 -2.405 -7.474 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -2.961 -1.196 -6.834 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -1.303 -1.203 -6.470 1.00 1.76 H new ATOM 556 N VAL A 54 -2.048 0.173 0.391 1.00 0.27 N ATOM 557 CA VAL A 54 -1.673 1.091 1.449 1.00 0.25 C ATOM 558 C VAL A 54 -0.741 2.168 0.887 1.00 0.23 C ATOM 559 O VAL A 54 0.156 1.883 0.086 1.00 0.25 O ATOM 560 CB VAL A 54 -1.003 0.349 2.626 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.262 -0.366 2.184 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.722 1.306 3.778 1.00 0.32 C ATOM 0 H VAL A 54 -1.459 -0.657 0.322 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.576 1.564 1.834 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.699 -0.412 2.980 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.708 -0.878 3.037 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.017 -1.095 1.411 1.00 0.30 H new ATOM 0 HG13 VAL A 54 0.970 0.361 1.786 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.250 0.762 4.596 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -0.056 2.099 3.438 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.659 1.742 4.125 1.00 0.32 H new ATOM 572 N TYR A 55 -0.980 3.406 1.269 1.00 0.23 N ATOM 573 CA TYR A 55 -0.161 4.504 0.799 1.00 0.25 C ATOM 574 C TYR A 55 0.548 5.185 1.958 1.00 0.27 C ATOM 575 O TYR A 55 0.078 5.140 3.096 1.00 0.35 O ATOM 576 CB TYR A 55 -0.992 5.540 0.044 1.00 0.27 C ATOM 577 CG TYR A 55 -1.594 5.067 -1.252 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.781 4.352 -1.263 1.00 0.74 C ATOM 579 CD2 TYR A 55 -0.996 5.368 -2.463 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.354 3.943 -2.451 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.566 4.974 -3.656 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.744 4.261 -3.647 1.00 0.42 C ATOM 583 OH TYR A 55 -3.315 3.869 -4.842 1.00 0.49 O ATOM 0 H TYR A 55 -1.733 3.676 1.902 1.00 0.23 H new ATOM 0 HA TYR A 55 0.578 4.081 0.118 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.797 5.880 0.696 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.362 6.405 -0.162 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -3.265 4.111 -0.328 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.068 5.920 -2.474 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -4.274 3.378 -2.444 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.090 5.224 -4.593 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.757 4.175 -5.587 1.00 0.49 H new ATOM 593 N ASP A 56 1.668 5.819 1.655 1.00 0.34 N ATOM 594 CA ASP A 56 2.381 6.643 2.624 1.00 0.38 C ATOM 595 C ASP A 56 2.424 8.076 2.117 1.00 0.38 C ATOM 596 O ASP A 56 2.746 8.307 0.949 1.00 0.48 O ATOM 597 CB ASP A 56 3.812 6.106 2.854 1.00 0.47 C ATOM 598 CG ASP A 56 4.619 6.907 3.874 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.906 8.095 3.611 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.954 6.361 4.948 1.00 1.32 O ATOM 0 H ASP A 56 2.109 5.779 0.736 1.00 0.34 H new ATOM 0 HA ASP A 56 1.858 6.609 3.580 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.751 5.070 3.187 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.346 6.105 1.904 1.00 0.47 H new ATOM 605 N LEU A 57 2.059 9.035 2.947 1.00 0.37 N ATOM 606 CA LEU A 57 2.241 10.420 2.552 1.00 0.39 C ATOM 607 C LEU A 57 3.418 11.000 3.303 1.00 0.51 C ATOM 608 O LEU A 57 4.427 11.347 2.696 1.00 1.12 O ATOM 609 CB LEU A 57 0.998 11.291 2.788 1.00 0.45 C ATOM 610 CG LEU A 57 -0.314 10.776 2.189 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.398 11.834 2.283 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.117 10.360 0.742 1.00 1.27 C ATOM 0 H LEU A 57 1.648 8.890 3.869 1.00 0.37 H new ATOM 0 HA LEU A 57 2.423 10.424 1.477 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.861 11.408 3.863 1.00 0.45 H new ATOM 0 HB3 LEU A 57 1.193 12.284 2.382 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.627 9.904 2.763 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.322 11.448 1.852 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -1.565 12.091 3.329 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.086 12.724 1.736 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.061 9.997 0.336 1.00 1.27 H new ATOM 0 HD22 LEU A 57 0.223 11.217 0.160 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.629 9.567 0.690 1.00 1.27 H new ATOM 624 N THR A 58 3.269 11.046 4.632 1.00 0.54 N ATOM 625 CA THR A 58 4.256 11.613 5.561 1.00 0.56 C ATOM 626 C THR A 58 4.847 12.939 5.068 1.00 0.66 C ATOM 627 O THR A 58 4.386 14.015 5.437 1.00 1.15 O ATOM 628 CB THR A 58 5.391 10.608 5.893 1.00 0.65 C ATOM 629 OG1 THR A 58 6.049 10.161 4.696 1.00 1.43 O ATOM 630 CG2 THR A 58 4.839 9.411 6.659 1.00 1.12 C ATOM 0 H THR A 58 2.441 10.682 5.103 1.00 0.54 H new ATOM 0 HA THR A 58 3.705 11.822 6.478 1.00 0.56 H new ATOM 0 HB THR A 58 6.121 11.123 6.518 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.500 9.478 4.256 1.00 1.43 H new ATOM 0 HG21 THR A 58 5.649 8.717 6.883 1.00 1.12 H new ATOM 0 HG22 THR A 58 4.386 9.752 7.590 1.00 1.12 H new ATOM 0 HG23 THR A 58 4.087 8.907 6.053 1.00 1.12 H new ATOM 638 N LYS A 59 5.867 12.836 4.230 1.00 0.57 N ATOM 639 CA LYS A 59 6.521 13.984 3.616 1.00 0.58 C ATOM 640 C LYS A 59 5.542 14.743 2.699 1.00 0.48 C ATOM 641 O LYS A 59 5.566 15.968 2.592 1.00 0.54 O ATOM 642 CB LYS A 59 7.740 13.487 2.827 1.00 0.69 C ATOM 643 CG LYS A 59 8.872 12.990 3.718 1.00 1.37 C ATOM 644 CD LYS A 59 9.665 11.857 3.080 1.00 1.96 C ATOM 645 CE LYS A 59 8.859 10.564 3.064 1.00 2.58 C ATOM 646 NZ LYS A 59 9.688 9.373 2.726 1.00 3.59 N ATOM 0 H LYS A 59 6.270 11.941 3.953 1.00 0.57 H new ATOM 0 HA LYS A 59 6.847 14.680 4.389 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.430 12.681 2.162 1.00 0.69 H new ATOM 0 HB3 LYS A 59 8.111 14.296 2.197 1.00 0.69 H new ATOM 0 HG2 LYS A 59 9.544 13.818 3.941 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.459 12.650 4.668 1.00 1.37 H new ATOM 0 HD2 LYS A 59 9.940 12.130 2.061 1.00 1.96 H new ATOM 0 HD3 LYS A 59 10.593 11.704 3.631 1.00 1.96 H new ATOM 0 HE2 LYS A 59 8.399 10.416 4.041 1.00 2.58 H new ATOM 0 HE3 LYS A 59 8.049 10.655 2.340 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 9.090 8.522 2.729 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 10.107 9.498 1.782 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 10.446 9.266 3.430 1.00 3.59 H new ATOM 660 N PHE A 60 4.677 13.959 2.056 1.00 0.40 N ATOM 661 CA PHE A 60 3.784 14.433 0.980 1.00 0.35 C ATOM 662 C PHE A 60 2.742 15.437 1.471 1.00 0.36 C ATOM 663 O PHE A 60 2.129 16.145 0.650 1.00 0.40 O ATOM 664 CB PHE A 60 3.083 13.217 0.368 1.00 0.37 C ATOM 665 CG PHE A 60 2.296 13.537 -0.875 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.920 14.096 -1.981 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.932 13.294 -0.931 1.00 1.62 C ATOM 668 CE1 PHE A 60 2.199 14.394 -3.122 1.00 1.72 C ATOM 669 CE2 PHE A 60 0.210 13.590 -2.070 1.00 2.01 C ATOM 670 CZ PHE A 60 0.842 14.150 -3.162 1.00 1.72 C ATOM 0 H PHE A 60 4.570 12.966 2.264 1.00 0.40 H new ATOM 0 HA PHE A 60 4.392 14.954 0.240 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.830 12.459 0.130 1.00 0.37 H new ATOM 0 HB3 PHE A 60 2.413 12.783 1.110 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.980 14.300 -1.950 1.00 1.40 H new ATOM 0 HD2 PHE A 60 0.429 12.869 -0.075 1.00 1.62 H new ATOM 0 HE1 PHE A 60 2.698 14.817 -3.981 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -0.849 13.383 -2.107 1.00 2.01 H new ATOM 0 HZ PHE A 60 0.274 14.397 -4.047 1.00 1.72 H new ATOM 680 N LEU A 61 2.559 15.499 2.782 1.00 0.38 N ATOM 681 CA LEU A 61 1.492 16.273 3.446 1.00 0.44 C ATOM 682 C LEU A 61 1.486 17.742 3.042 1.00 0.47 C ATOM 683 O LEU A 61 0.433 18.373 2.996 1.00 0.60 O ATOM 684 CB LEU A 61 1.640 16.170 4.967 1.00 0.50 C ATOM 685 CG LEU A 61 1.307 14.799 5.563 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.445 14.819 7.082 1.00 0.72 C ATOM 687 CD2 LEU A 61 -0.095 14.376 5.154 1.00 0.61 C ATOM 0 H LEU A 61 3.159 15.003 3.441 1.00 0.38 H new ATOM 0 HA LEU A 61 0.545 15.840 3.123 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.665 16.425 5.234 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.995 16.916 5.430 1.00 0.50 H new ATOM 0 HG LEU A 61 2.017 14.070 5.172 1.00 0.56 H new ATOM 0 HD11 LEU A 61 1.203 13.834 7.482 1.00 0.72 H new ATOM 0 HD12 LEU A 61 2.469 15.079 7.351 1.00 0.72 H new ATOM 0 HD13 LEU A 61 0.761 15.558 7.500 1.00 0.72 H new ATOM 0 HD21 LEU A 61 -0.320 13.400 5.584 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.816 15.108 5.517 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.155 14.317 4.067 1.00 0.61 H new ATOM 699 N GLU A 62 2.668 18.283 2.780 1.00 0.46 N ATOM 700 CA GLU A 62 2.820 19.705 2.490 1.00 0.55 C ATOM 701 C GLU A 62 2.841 19.964 0.983 1.00 0.53 C ATOM 702 O GLU A 62 3.045 21.096 0.542 1.00 0.72 O ATOM 703 CB GLU A 62 4.107 20.235 3.136 1.00 0.68 C ATOM 704 CG GLU A 62 5.380 19.558 2.649 1.00 0.99 C ATOM 705 CD GLU A 62 6.630 20.192 3.234 1.00 1.22 C ATOM 706 OE1 GLU A 62 6.760 21.429 3.169 1.00 1.60 O ATOM 707 OE2 GLU A 62 7.490 19.451 3.760 1.00 1.62 O ATOM 0 H GLU A 62 3.541 17.756 2.762 1.00 0.46 H new ATOM 0 HA GLU A 62 1.963 20.232 2.909 1.00 0.55 H new ATOM 0 HB2 GLU A 62 4.182 21.305 2.942 1.00 0.68 H new ATOM 0 HB3 GLU A 62 4.034 20.111 4.216 1.00 0.68 H new ATOM 0 HG2 GLU A 62 5.352 18.502 2.916 1.00 0.99 H new ATOM 0 HG3 GLU A 62 5.424 19.611 1.561 1.00 0.99 H new ATOM 714 N GLU A 63 2.629 18.901 0.207 1.00 0.42 N ATOM 715 CA GLU A 63 2.753 18.945 -1.250 1.00 0.48 C ATOM 716 C GLU A 63 1.472 18.463 -1.927 1.00 0.46 C ATOM 717 O GLU A 63 1.489 18.057 -3.092 1.00 0.66 O ATOM 718 CB GLU A 63 3.925 18.062 -1.672 1.00 0.59 C ATOM 719 CG GLU A 63 5.276 18.577 -1.195 1.00 1.05 C ATOM 720 CD GLU A 63 5.839 19.664 -2.083 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.201 20.729 -2.181 1.00 1.83 O ATOM 722 OE2 GLU A 63 6.909 19.460 -2.693 1.00 2.03 O ATOM 0 H GLU A 63 2.366 17.985 0.571 1.00 0.42 H new ATOM 0 HA GLU A 63 2.927 19.976 -1.558 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.770 17.056 -1.282 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.938 17.984 -2.759 1.00 0.59 H new ATOM 0 HG2 GLU A 63 5.175 18.960 -0.180 1.00 1.05 H new ATOM 0 HG3 GLU A 63 5.981 17.747 -1.154 1.00 1.05 H new ATOM 729 N HIS A 64 0.368 18.500 -1.178 1.00 0.33 N ATOM 730 CA HIS A 64 -0.930 18.043 -1.669 1.00 0.32 C ATOM 731 C HIS A 64 -2.005 19.080 -1.352 1.00 0.42 C ATOM 732 O HIS A 64 -2.302 19.339 -0.179 1.00 0.52 O ATOM 733 CB HIS A 64 -1.273 16.680 -1.046 1.00 0.38 C ATOM 734 CG HIS A 64 -2.626 16.047 -1.377 1.00 0.36 C ATOM 735 ND1 HIS A 64 -3.724 16.116 -0.545 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.007 15.308 -2.488 1.00 0.34 C ATOM 737 CE1 HIS A 64 -4.742 15.451 -1.127 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.345 14.954 -2.296 1.00 0.36 N ATOM 0 H HIS A 64 0.350 18.846 -0.219 1.00 0.33 H new ATOM 0 HA HIS A 64 -0.886 17.923 -2.751 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.496 15.975 -1.342 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.212 16.786 0.037 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -2.389 15.055 -3.337 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -5.731 15.338 -0.708 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -4.918 14.409 -2.940 1.00 0.36 H new ATOM 746 N PRO A 65 -2.587 19.699 -2.410 1.00 0.51 N ATOM 747 CA PRO A 65 -3.566 20.801 -2.304 1.00 0.73 C ATOM 748 C PRO A 65 -4.681 20.549 -1.287 1.00 0.90 C ATOM 749 O PRO A 65 -5.170 21.477 -0.636 1.00 1.46 O ATOM 750 CB PRO A 65 -4.164 20.893 -3.720 1.00 0.96 C ATOM 751 CG PRO A 65 -3.605 19.734 -4.481 1.00 0.81 C ATOM 752 CD PRO A 65 -2.312 19.383 -3.815 1.00 0.55 C ATOM 0 HA PRO A 65 -3.079 21.712 -1.954 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.253 20.849 -3.687 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -3.897 21.837 -4.195 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -4.293 18.889 -4.465 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -3.446 19.995 -5.527 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.056 18.332 -3.953 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.480 19.968 -4.208 1.00 0.55 H new ATOM 760 N GLY A 66 -5.087 19.278 -1.210 1.00 1.08 N ATOM 761 CA GLY A 66 -6.275 18.876 -0.469 1.00 1.38 C ATOM 762 C GLY A 66 -6.270 19.283 0.983 1.00 1.38 C ATOM 763 O GLY A 66 -7.330 19.365 1.599 1.00 2.03 O ATOM 0 H GLY A 66 -4.599 18.504 -1.661 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -7.152 19.307 -0.952 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.377 17.793 -0.530 1.00 1.38 H new ATOM 767 N GLY A 67 -5.085 19.508 1.535 1.00 1.25 N ATOM 768 CA GLY A 67 -4.983 19.988 2.895 1.00 1.70 C ATOM 769 C GLY A 67 -4.142 19.083 3.768 1.00 1.24 C ATOM 770 O GLY A 67 -3.332 18.311 3.266 1.00 1.66 O ATOM 0 H GLY A 67 -4.192 19.366 1.062 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -4.551 20.989 2.892 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -5.982 20.074 3.322 1.00 1.70 H new ATOM 774 N GLU A 68 -4.326 19.197 5.074 1.00 1.38 N ATOM 775 CA GLU A 68 -3.634 18.352 6.037 1.00 1.18 C ATOM 776 C GLU A 68 -4.670 17.617 6.881 1.00 0.94 C ATOM 777 O GLU A 68 -4.843 16.400 6.795 1.00 0.98 O ATOM 778 CB GLU A 68 -2.709 19.229 6.902 1.00 1.50 C ATOM 779 CG GLU A 68 -1.939 18.483 7.986 1.00 1.48 C ATOM 780 CD GLU A 68 -2.668 18.455 9.321 1.00 2.09 C ATOM 781 OE1 GLU A 68 -2.731 19.514 9.990 1.00 2.88 O ATOM 782 OE2 GLU A 68 -3.190 17.385 9.695 1.00 2.25 O ATOM 0 H GLU A 68 -4.958 19.877 5.497 1.00 1.38 H new ATOM 0 HA GLU A 68 -3.017 17.609 5.532 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -1.994 19.730 6.249 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.309 20.007 7.374 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -1.757 17.460 7.656 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.965 18.953 8.120 1.00 1.48 H new ATOM 789 N GLU A 69 -5.384 18.432 7.665 1.00 0.91 N ATOM 790 CA GLU A 69 -6.388 17.984 8.620 1.00 0.84 C ATOM 791 C GLU A 69 -7.397 17.038 7.996 1.00 0.75 C ATOM 792 O GLU A 69 -7.744 16.023 8.586 1.00 0.78 O ATOM 793 CB GLU A 69 -7.134 19.195 9.181 1.00 0.97 C ATOM 794 CG GLU A 69 -6.244 20.188 9.904 1.00 1.64 C ATOM 795 CD GLU A 69 -6.996 21.429 10.336 1.00 1.97 C ATOM 796 OE1 GLU A 69 -7.752 21.355 11.332 1.00 2.27 O ATOM 797 OE2 GLU A 69 -6.827 22.483 9.691 1.00 2.63 O ATOM 0 H GLU A 69 -5.272 19.446 7.648 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.865 17.446 9.411 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -7.642 19.706 8.363 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -7.906 18.847 9.868 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -5.806 19.709 10.779 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -5.419 20.475 9.252 1.00 1.64 H new ATOM 804 N VAL A 70 -7.885 17.403 6.808 1.00 0.79 N ATOM 805 CA VAL A 70 -8.998 16.691 6.187 1.00 0.86 C ATOM 806 C VAL A 70 -8.535 15.464 5.422 1.00 0.82 C ATOM 807 O VAL A 70 -9.360 14.660 4.987 1.00 1.01 O ATOM 808 CB VAL A 70 -9.815 17.604 5.254 1.00 1.09 C ATOM 809 CG1 VAL A 70 -10.563 18.647 6.069 1.00 1.96 C ATOM 810 CG2 VAL A 70 -8.911 18.264 4.224 1.00 1.41 C ATOM 0 H VAL A 70 -7.526 18.185 6.260 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.640 16.365 7.005 1.00 0.86 H new ATOM 0 HB VAL A 70 -10.544 16.997 4.718 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -11.138 19.288 5.400 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -11.239 18.149 6.764 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -9.849 19.253 6.627 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -9.507 18.905 3.574 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -8.157 18.864 4.733 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -8.420 17.496 3.625 1.00 1.41 H new ATOM 820 N LEU A 71 -7.220 15.339 5.242 1.00 0.72 N ATOM 821 CA LEU A 71 -6.638 14.105 4.733 1.00 0.74 C ATOM 822 C LEU A 71 -6.695 13.078 5.845 1.00 0.70 C ATOM 823 O LEU A 71 -7.215 11.975 5.696 1.00 0.77 O ATOM 824 CB LEU A 71 -5.174 14.313 4.313 1.00 0.84 C ATOM 825 CG LEU A 71 -4.927 15.384 3.252 1.00 1.10 C ATOM 826 CD1 LEU A 71 -3.491 15.302 2.752 1.00 1.62 C ATOM 827 CD2 LEU A 71 -5.911 15.253 2.102 1.00 1.69 C ATOM 0 H LEU A 71 -6.543 16.076 5.441 1.00 0.72 H new ATOM 0 HA LEU A 71 -7.195 13.775 3.856 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.595 14.569 5.200 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.785 13.365 3.941 1.00 0.84 H new ATOM 0 HG LEU A 71 -5.082 16.362 3.707 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -3.325 16.069 1.996 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -2.806 15.459 3.585 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -3.313 14.319 2.316 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -5.711 16.028 1.362 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -5.801 14.272 1.639 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -6.928 15.364 2.479 1.00 1.69 H new ATOM 839 N ARG A 72 -6.151 13.510 6.981 1.00 0.70 N ATOM 840 CA ARG A 72 -5.995 12.692 8.173 1.00 0.78 C ATOM 841 C ARG A 72 -7.334 12.229 8.731 1.00 0.92 C ATOM 842 O ARG A 72 -7.429 11.172 9.347 1.00 1.03 O ATOM 843 CB ARG A 72 -5.251 13.489 9.238 1.00 0.77 C ATOM 844 CG ARG A 72 -3.780 13.745 8.937 1.00 1.42 C ATOM 845 CD ARG A 72 -3.059 14.143 10.213 1.00 1.49 C ATOM 846 NE ARG A 72 -3.361 13.194 11.284 1.00 2.11 N ATOM 847 CZ ARG A 72 -4.120 13.475 12.346 1.00 2.48 C ATOM 848 NH1 ARG A 72 -4.563 14.713 12.548 1.00 2.24 N ATOM 849 NH2 ARG A 72 -4.438 12.505 13.204 1.00 3.47 N ATOM 0 H ARG A 72 -5.800 14.461 7.097 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.428 11.804 7.894 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -5.752 14.448 9.369 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -5.326 12.958 10.187 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -3.324 12.850 8.514 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -3.683 14.534 8.192 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -1.984 14.173 10.037 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -3.361 15.147 10.511 1.00 1.49 H new ATOM 0 HE ARG A 72 -2.966 12.256 11.215 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -4.323 15.454 11.890 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -5.142 14.921 13.361 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -4.102 11.555 13.047 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -5.017 12.713 14.017 1.00 3.47 H new ATOM 863 N GLU A 73 -8.351 13.071 8.522 1.00 1.13 N ATOM 864 CA GLU A 73 -9.730 12.806 8.956 1.00 1.55 C ATOM 865 C GLU A 73 -10.263 11.536 8.282 1.00 1.28 C ATOM 866 O GLU A 73 -11.262 10.959 8.705 1.00 1.60 O ATOM 867 CB GLU A 73 -10.617 14.008 8.580 1.00 1.97 C ATOM 868 CG GLU A 73 -11.906 14.141 9.394 1.00 2.63 C ATOM 869 CD GLU A 73 -11.702 14.920 10.683 1.00 3.18 C ATOM 870 OE1 GLU A 73 -11.837 16.162 10.674 1.00 3.55 O ATOM 871 OE2 GLU A 73 -11.403 14.287 11.717 1.00 3.65 O ATOM 0 H GLU A 73 -8.241 13.965 8.042 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.746 12.660 10.036 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.034 14.921 8.699 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.878 13.932 7.524 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.664 14.638 8.789 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.287 13.147 9.630 1.00 2.63 H new ATOM 878 N GLN A 74 -9.591 11.139 7.204 1.00 0.77 N ATOM 879 CA GLN A 74 -9.970 9.972 6.424 1.00 0.62 C ATOM 880 C GLN A 74 -8.851 8.928 6.465 1.00 0.56 C ATOM 881 O GLN A 74 -8.967 7.855 5.877 1.00 0.64 O ATOM 882 CB GLN A 74 -10.202 10.385 4.970 1.00 0.63 C ATOM 883 CG GLN A 74 -11.272 11.451 4.785 1.00 0.76 C ATOM 884 CD GLN A 74 -12.659 10.996 5.191 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.923 9.700 5.066 1.00 1.57 O flip ATOM 886 NE2 GLN A 74 -13.482 11.806 5.613 1.00 1.68 N flip ATOM 0 H GLN A 74 -8.766 11.622 6.849 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.882 9.548 6.845 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -9.264 10.753 4.555 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -10.481 9.503 4.394 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -11.002 12.330 5.370 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -11.291 11.757 3.739 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -13.233 12.792 5.691 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -14.414 11.492 5.885 1.00 1.68 H new ATOM 895 N ALA A 75 -7.766 9.267 7.156 1.00 0.55 N ATOM 896 CA ALA A 75 -6.541 8.476 7.106 1.00 0.58 C ATOM 897 C ALA A 75 -6.423 7.543 8.303 1.00 0.52 C ATOM 898 O ALA A 75 -6.986 7.797 9.366 1.00 0.70 O ATOM 899 CB ALA A 75 -5.323 9.384 7.018 1.00 0.70 C ATOM 0 H ALA A 75 -7.711 10.088 7.759 1.00 0.55 H new ATOM 0 HA ALA A 75 -6.586 7.858 6.209 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -4.418 8.777 6.982 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -5.388 9.993 6.116 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -5.289 10.033 7.893 1.00 0.70 H new ATOM 905 N GLY A 76 -5.658 6.479 8.116 1.00 0.49 N ATOM 906 CA GLY A 76 -5.534 5.448 9.127 1.00 0.58 C ATOM 907 C GLY A 76 -6.134 4.141 8.654 1.00 0.48 C ATOM 908 O GLY A 76 -5.934 3.093 9.261 1.00 0.72 O ATOM 0 H GLY A 76 -5.114 6.309 7.270 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.482 5.300 9.372 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -6.032 5.770 10.041 1.00 0.58 H new ATOM 912 N GLY A 77 -6.876 4.226 7.568 1.00 0.42 N ATOM 913 CA GLY A 77 -7.475 3.063 6.946 1.00 0.52 C ATOM 914 C GLY A 77 -7.853 3.394 5.523 1.00 0.44 C ATOM 915 O GLY A 77 -7.224 4.262 4.919 1.00 0.78 O ATOM 0 H GLY A 77 -7.081 5.104 7.092 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -6.776 2.227 6.963 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.357 2.752 7.505 1.00 0.52 H new ATOM 919 N ASP A 78 -8.881 2.749 4.985 1.00 0.55 N ATOM 920 CA ASP A 78 -9.295 3.038 3.621 1.00 0.72 C ATOM 921 C ASP A 78 -9.955 4.416 3.549 1.00 0.67 C ATOM 922 O ASP A 78 -10.828 4.738 4.361 1.00 1.04 O ATOM 923 CB ASP A 78 -10.224 1.959 3.060 1.00 1.14 C ATOM 924 CG ASP A 78 -10.573 2.204 1.604 1.00 1.82 C ATOM 925 OD1 ASP A 78 -11.481 3.021 1.346 1.00 2.59 O ATOM 926 OD2 ASP A 78 -9.942 1.584 0.716 1.00 2.28 O ATOM 0 H ASP A 78 -9.433 2.036 5.462 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.400 3.041 2.999 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -9.747 0.984 3.158 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -11.139 1.927 3.651 1.00 1.14 H new ATOM 931 N ALA A 79 -9.554 5.214 2.581 1.00 0.54 N ATOM 932 CA ALA A 79 -10.103 6.551 2.421 1.00 0.58 C ATOM 933 C ALA A 79 -10.744 6.710 1.050 1.00 0.56 C ATOM 934 O ALA A 79 -10.958 7.826 0.573 1.00 0.67 O ATOM 935 CB ALA A 79 -9.007 7.588 2.624 1.00 0.73 C ATOM 0 H ALA A 79 -8.848 4.962 1.890 1.00 0.54 H new ATOM 0 HA ALA A 79 -10.877 6.704 3.173 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.425 8.587 2.503 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.592 7.487 3.627 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.218 7.433 1.888 1.00 0.73 H new ATOM 941 N THR A 80 -11.088 5.592 0.424 1.00 0.54 N ATOM 942 CA THR A 80 -11.555 5.616 -0.950 1.00 0.60 C ATOM 943 C THR A 80 -12.942 6.252 -1.071 1.00 0.65 C ATOM 944 O THR A 80 -13.452 6.423 -2.172 1.00 0.84 O ATOM 945 CB THR A 80 -11.550 4.206 -1.578 1.00 0.66 C ATOM 946 OG1 THR A 80 -11.297 4.307 -2.987 1.00 0.84 O ATOM 947 CG2 THR A 80 -12.872 3.479 -1.344 1.00 0.70 C ATOM 0 H THR A 80 -11.052 4.664 0.845 1.00 0.54 H new ATOM 0 HA THR A 80 -10.853 6.237 -1.506 1.00 0.60 H new ATOM 0 HB THR A 80 -10.761 3.628 -1.098 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.132 4.165 -3.480 1.00 0.84 H new ATOM 0 HG21 THR A 80 -12.829 2.490 -1.801 1.00 0.70 H new ATOM 0 HG22 THR A 80 -13.046 3.377 -0.273 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.686 4.050 -1.791 1.00 0.70 H new ATOM 955 N GLU A 81 -13.525 6.627 0.065 1.00 0.65 N ATOM 956 CA GLU A 81 -14.807 7.319 0.093 1.00 0.79 C ATOM 957 C GLU A 81 -14.805 8.483 -0.908 1.00 0.85 C ATOM 958 O GLU A 81 -15.679 8.601 -1.762 1.00 0.98 O ATOM 959 CB GLU A 81 -15.065 7.832 1.510 1.00 0.91 C ATOM 960 CG GLU A 81 -16.491 8.312 1.737 1.00 1.54 C ATOM 961 CD GLU A 81 -17.496 7.171 1.774 1.00 1.82 C ATOM 962 OE1 GLU A 81 -17.854 6.650 0.699 1.00 2.27 O ATOM 963 OE2 GLU A 81 -17.929 6.792 2.884 1.00 2.27 O ATOM 0 H GLU A 81 -13.123 6.460 0.987 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.601 6.629 -0.192 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -14.841 7.037 2.221 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -14.377 8.651 1.721 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -16.539 8.864 2.676 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -16.766 9.008 0.944 1.00 1.54 H new ATOM 970 N ASN A 82 -13.768 9.314 -0.797 1.00 0.82 N ATOM 971 CA ASN A 82 -13.581 10.490 -1.657 1.00 0.90 C ATOM 972 C ASN A 82 -13.274 10.081 -3.092 1.00 0.94 C ATOM 973 O ASN A 82 -13.575 10.789 -4.052 1.00 1.09 O ATOM 974 CB ASN A 82 -12.420 11.326 -1.099 1.00 0.93 C ATOM 975 CG ASN A 82 -12.108 12.559 -1.939 1.00 1.70 C ATOM 976 OD1 ASN A 82 -11.309 12.496 -2.870 1.00 2.41 O ATOM 977 ND2 ASN A 82 -12.709 13.692 -1.599 1.00 2.40 N ATOM 0 H ASN A 82 -13.028 9.192 -0.105 1.00 0.82 H new ATOM 0 HA ASN A 82 -14.502 11.072 -1.665 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -12.662 11.638 -0.083 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -11.529 10.702 -1.037 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -12.513 14.549 -2.117 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -13.367 13.706 -0.820 1.00 2.40 H new ATOM 984 N PHE A 83 -12.657 8.914 -3.201 1.00 0.85 N ATOM 985 CA PHE A 83 -12.085 8.428 -4.446 1.00 0.89 C ATOM 986 C PHE A 83 -13.169 7.851 -5.350 1.00 1.02 C ATOM 987 O PHE A 83 -13.041 7.852 -6.571 1.00 1.17 O ATOM 988 CB PHE A 83 -11.045 7.357 -4.118 1.00 0.81 C ATOM 989 CG PHE A 83 -10.202 6.933 -5.290 1.00 0.86 C ATOM 990 CD1 PHE A 83 -9.137 7.717 -5.705 1.00 0.97 C ATOM 991 CD2 PHE A 83 -10.469 5.761 -5.976 1.00 1.20 C ATOM 992 CE1 PHE A 83 -8.353 7.341 -6.778 1.00 1.06 C ATOM 993 CE2 PHE A 83 -9.686 5.379 -7.050 1.00 1.33 C ATOM 994 CZ PHE A 83 -8.631 6.172 -7.453 1.00 1.13 C ATOM 0 H PHE A 83 -12.538 8.271 -2.418 1.00 0.85 H new ATOM 0 HA PHE A 83 -11.614 9.255 -4.977 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.390 7.732 -3.331 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -11.556 6.482 -3.717 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -8.917 8.636 -5.181 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -11.297 5.139 -5.670 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -7.525 7.961 -7.087 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -9.900 4.459 -7.574 1.00 1.33 H new ATOM 0 HZ PHE A 83 -8.024 5.877 -8.296 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.215 7.324 -4.718 1.00 1.00 N ATOM 1005 CA GLU A 84 -15.349 6.732 -5.426 1.00 1.14 C ATOM 1006 C GLU A 84 -16.337 7.820 -5.848 1.00 1.24 C ATOM 1007 O GLU A 84 -17.178 7.635 -6.731 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.074 5.735 -4.513 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.181 4.675 -3.877 1.00 1.33 C ATOM 1010 CD GLU A 84 -14.408 3.835 -4.876 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -15.040 3.014 -5.574 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -13.176 4.023 -4.999 1.00 2.19 O ATOM 0 H GLU A 84 -14.301 7.295 -3.702 1.00 1.00 H new ATOM 0 HA GLU A 84 -14.971 6.219 -6.310 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.575 6.290 -3.720 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -16.851 5.235 -5.091 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -14.474 5.165 -3.207 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -15.797 4.016 -3.264 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.218 8.950 -5.155 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.133 10.084 -5.275 1.00 1.34 C ATOM 1021 C ASP A 85 -16.607 11.098 -6.290 1.00 1.45 C ATOM 1022 O ASP A 85 -17.221 11.336 -7.327 1.00 1.90 O ATOM 1023 CB ASP A 85 -17.302 10.735 -3.896 1.00 1.35 C ATOM 1024 CG ASP A 85 -18.061 12.049 -3.952 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -19.237 12.038 -4.376 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -17.486 13.098 -3.598 1.00 1.81 O ATOM 0 H ASP A 85 -15.469 9.107 -4.481 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.101 9.732 -5.632 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -17.828 10.045 -3.236 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -16.319 10.907 -3.458 1.00 1.35 H new ATOM 1031 N VAL A 86 -15.456 11.688 -5.979 1.00 1.34 N ATOM 1032 CA VAL A 86 -14.853 12.694 -6.847 1.00 1.50 C ATOM 1033 C VAL A 86 -13.978 12.026 -7.894 1.00 1.26 C ATOM 1034 O VAL A 86 -13.928 12.453 -9.047 1.00 1.87 O ATOM 1035 CB VAL A 86 -13.996 13.699 -6.053 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -13.468 14.794 -6.969 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -14.787 14.297 -4.898 1.00 2.64 C ATOM 0 H VAL A 86 -14.923 11.487 -5.133 1.00 1.34 H new ATOM 0 HA VAL A 86 -15.669 13.236 -7.325 1.00 1.50 H new ATOM 0 HB VAL A 86 -13.145 13.162 -5.635 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -12.865 15.494 -6.390 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -12.855 14.349 -7.752 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -14.305 15.325 -7.422 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -14.159 15.003 -4.354 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -15.663 14.816 -5.287 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -15.106 13.501 -4.225 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.276 10.981 -7.472 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.529 10.157 -8.403 1.00 1.82 C ATOM 1049 C GLY A 87 -11.204 10.753 -8.833 1.00 1.46 C ATOM 1050 O GLY A 87 -10.491 10.150 -9.643 1.00 2.23 O ATOM 0 H GLY A 87 -13.211 10.689 -6.497 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.346 9.185 -7.945 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -13.141 9.982 -9.288 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.864 11.922 -8.291 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.667 12.661 -8.708 1.00 0.81 C ATOM 1056 C HIS A 88 -9.713 12.983 -10.206 1.00 0.89 C ATOM 1057 O HIS A 88 -10.730 12.762 -10.868 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.385 11.881 -8.364 1.00 0.89 C ATOM 1059 CG HIS A 88 -7.926 12.030 -6.941 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.258 11.156 -5.906 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.096 12.955 -6.398 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.619 11.574 -4.793 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.916 12.649 -5.064 1.00 0.48 N ATOM 0 H HIS A 88 -11.403 12.382 -7.557 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.652 13.601 -8.156 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -8.552 10.824 -8.569 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -7.585 12.212 -9.027 1.00 0.89 H new ATOM 0 HD2 HIS A 88 -6.651 13.789 -6.920 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -7.677 11.096 -3.826 1.00 0.98 H new ATOM 0 HE2 HIS A 88 -6.337 13.168 -4.404 1.00 0.48 H new ATOM 1071 N SER A 89 -8.627 13.519 -10.740 1.00 0.81 N ATOM 1072 CA SER A 89 -8.558 13.811 -12.167 1.00 1.00 C ATOM 1073 C SER A 89 -7.446 13.012 -12.851 1.00 1.00 C ATOM 1074 O SER A 89 -6.773 12.194 -12.208 1.00 1.43 O ATOM 1075 CB SER A 89 -8.386 15.317 -12.402 1.00 1.22 C ATOM 1076 OG SER A 89 -7.303 15.842 -11.652 1.00 1.06 O ATOM 0 H SER A 89 -7.787 13.760 -10.214 1.00 0.81 H new ATOM 0 HA SER A 89 -9.501 13.502 -12.618 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.219 15.504 -13.463 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.305 15.836 -12.128 1.00 1.22 H new ATOM 0 HG SER A 89 -7.220 16.803 -11.826 1.00 1.06 H new ATOM 1082 N THR A 90 -7.262 13.244 -14.147 1.00 1.14 N ATOM 1083 CA THR A 90 -6.260 12.522 -14.924 1.00 1.15 C ATOM 1084 C THR A 90 -4.841 12.940 -14.522 1.00 1.15 C ATOM 1085 O THR A 90 -4.246 13.838 -15.115 1.00 1.72 O ATOM 1086 CB THR A 90 -6.451 12.748 -16.443 1.00 1.27 C ATOM 1087 OG1 THR A 90 -7.804 12.453 -16.816 1.00 1.45 O ATOM 1088 CG2 THR A 90 -5.498 11.861 -17.241 1.00 1.49 C ATOM 0 H THR A 90 -7.796 13.929 -14.683 1.00 1.14 H new ATOM 0 HA THR A 90 -6.394 11.462 -14.707 1.00 1.15 H new ATOM 0 HB THR A 90 -6.232 13.792 -16.666 1.00 1.27 H new ATOM 0 HG1 THR A 90 -7.918 12.600 -17.778 1.00 1.45 H new ATOM 0 HG21 THR A 90 -5.647 12.034 -18.307 1.00 1.49 H new ATOM 0 HG22 THR A 90 -4.469 12.101 -16.975 1.00 1.49 H new ATOM 0 HG23 THR A 90 -5.697 10.814 -17.012 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.326 12.283 -13.494 1.00 0.95 N ATOM 1097 CA ASP A 91 -2.963 12.497 -13.028 1.00 0.97 C ATOM 1098 C ASP A 91 -2.700 11.551 -11.869 1.00 0.89 C ATOM 1099 O ASP A 91 -1.949 10.588 -11.983 1.00 0.88 O ATOM 1100 CB ASP A 91 -2.736 13.945 -12.583 1.00 1.12 C ATOM 1101 CG ASP A 91 -1.295 14.201 -12.180 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -0.927 13.878 -11.032 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -0.531 14.728 -13.016 1.00 1.90 O ATOM 0 H ASP A 91 -4.842 11.585 -12.958 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.274 12.300 -13.850 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.010 14.620 -13.394 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -3.392 14.173 -11.743 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.396 11.818 -10.760 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.243 11.065 -9.514 1.00 0.90 C ATOM 1110 C ALA A 92 -3.601 9.600 -9.698 1.00 0.82 C ATOM 1111 O ALA A 92 -3.204 8.759 -8.903 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.115 11.664 -8.419 1.00 0.97 C ATOM 0 H ALA A 92 -4.085 12.568 -10.702 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.194 11.130 -9.223 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -3.989 11.092 -7.500 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -3.821 12.699 -8.245 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.160 11.630 -8.727 1.00 0.97 H new ATOM 1118 N ARG A 93 -4.360 9.318 -10.744 1.00 0.75 N ATOM 1119 CA ARG A 93 -4.757 7.957 -11.081 1.00 0.73 C ATOM 1120 C ARG A 93 -3.559 7.155 -11.586 1.00 0.69 C ATOM 1121 O ARG A 93 -3.606 5.931 -11.704 1.00 0.81 O ATOM 1122 CB ARG A 93 -5.845 8.013 -12.150 1.00 0.82 C ATOM 1123 CG ARG A 93 -7.137 8.644 -11.656 1.00 1.64 C ATOM 1124 CD ARG A 93 -8.060 8.992 -12.806 1.00 1.70 C ATOM 1125 NE ARG A 93 -9.319 9.556 -12.324 1.00 2.71 N ATOM 1126 CZ ARG A 93 -10.416 9.690 -13.063 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -10.438 9.266 -14.320 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -11.497 10.236 -12.524 1.00 4.15 N ATOM 0 H ARG A 93 -4.720 10.025 -11.385 1.00 0.75 H new ATOM 0 HA ARG A 93 -5.140 7.460 -10.190 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -5.476 8.578 -13.006 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -6.053 7.002 -12.501 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -7.643 7.957 -10.977 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -6.909 9.545 -11.086 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -7.568 9.706 -13.466 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -8.262 8.098 -13.397 1.00 1.70 H new ATOM 0 HE ARG A 93 -9.359 9.868 -11.354 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -9.609 8.833 -14.727 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -11.284 9.373 -14.880 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -11.481 10.548 -11.553 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -12.345 10.344 -13.080 1.00 4.15 H new ATOM 1142 N GLU A 94 -2.493 7.881 -11.898 1.00 0.60 N ATOM 1143 CA GLU A 94 -1.275 7.311 -12.448 1.00 0.60 C ATOM 1144 C GLU A 94 -0.109 7.615 -11.515 1.00 0.58 C ATOM 1145 O GLU A 94 0.745 6.781 -11.235 1.00 0.74 O ATOM 1146 CB GLU A 94 -1.018 7.919 -13.830 1.00 0.68 C ATOM 1147 CG GLU A 94 -1.124 6.920 -14.973 1.00 1.19 C ATOM 1148 CD GLU A 94 -0.025 5.877 -14.942 1.00 1.38 C ATOM 1149 OE1 GLU A 94 1.098 6.172 -15.395 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -0.276 4.755 -14.461 1.00 2.11 O ATOM 0 H GLU A 94 -2.452 8.893 -11.774 1.00 0.60 H new ATOM 0 HA GLU A 94 -1.378 6.230 -12.545 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -1.730 8.726 -13.999 1.00 0.68 H new ATOM 0 HB3 GLU A 94 -0.023 8.364 -13.841 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -2.093 6.423 -14.927 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -1.085 7.455 -15.922 1.00 1.19 H new ATOM 1157 N MET A 95 -0.111 8.864 -11.054 1.00 0.48 N ATOM 1158 CA MET A 95 0.940 9.435 -10.227 1.00 0.49 C ATOM 1159 C MET A 95 1.118 8.667 -8.920 1.00 0.42 C ATOM 1160 O MET A 95 2.219 8.571 -8.389 1.00 0.50 O ATOM 1161 CB MET A 95 0.588 10.900 -9.930 1.00 0.53 C ATOM 1162 CG MET A 95 1.621 11.631 -9.087 1.00 0.65 C ATOM 1163 SD MET A 95 3.230 11.747 -9.890 1.00 1.09 S ATOM 1164 CE MET A 95 2.800 12.616 -11.396 1.00 1.75 C ATOM 0 H MET A 95 -0.865 9.521 -11.253 1.00 0.48 H new ATOM 0 HA MET A 95 1.883 9.369 -10.770 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.465 11.431 -10.874 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.373 10.934 -9.417 1.00 0.53 H new ATOM 0 HG2 MET A 95 1.258 12.635 -8.867 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.733 11.116 -8.133 1.00 0.65 H new ATOM 0 HE1 MET A 95 3.622 13.270 -11.686 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.612 11.895 -12.191 1.00 1.75 H new ATOM 0 HE3 MET A 95 1.904 13.213 -11.228 1.00 1.75 H new ATOM 1174 N SER A 96 0.004 8.132 -8.419 1.00 0.34 N ATOM 1175 CA SER A 96 -0.087 7.638 -7.045 1.00 0.31 C ATOM 1176 C SER A 96 0.723 6.371 -6.828 1.00 0.31 C ATOM 1177 O SER A 96 0.961 5.955 -5.695 1.00 0.33 O ATOM 1178 CB SER A 96 -1.547 7.384 -6.687 1.00 0.36 C ATOM 1179 OG SER A 96 -2.081 6.329 -7.462 1.00 1.13 O ATOM 0 H SER A 96 -0.859 8.029 -8.953 1.00 0.34 H new ATOM 0 HA SER A 96 0.333 8.406 -6.395 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.629 7.140 -5.628 1.00 0.36 H new ATOM 0 HB3 SER A 96 -2.129 8.291 -6.851 1.00 0.36 H new ATOM 0 HG SER A 96 -2.611 6.700 -8.198 1.00 1.13 H new ATOM 1185 N LYS A 97 1.105 5.751 -7.957 1.00 0.36 N ATOM 1186 CA LYS A 97 1.730 4.430 -7.988 1.00 0.43 C ATOM 1187 C LYS A 97 3.040 4.416 -7.229 1.00 0.41 C ATOM 1188 O LYS A 97 3.492 3.362 -6.783 1.00 0.48 O ATOM 1189 CB LYS A 97 1.994 3.998 -9.435 1.00 0.56 C ATOM 1190 CG LYS A 97 0.739 3.885 -10.301 1.00 0.83 C ATOM 1191 CD LYS A 97 1.055 3.396 -11.714 1.00 1.15 C ATOM 1192 CE LYS A 97 2.146 4.232 -12.366 1.00 1.56 C ATOM 1193 NZ LYS A 97 2.278 3.943 -13.821 1.00 2.15 N ATOM 0 H LYS A 97 0.984 6.163 -8.882 1.00 0.36 H new ATOM 0 HA LYS A 97 1.039 3.736 -7.510 1.00 0.43 H new ATOM 0 HB2 LYS A 97 2.675 4.713 -9.896 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.502 3.034 -9.426 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.035 3.199 -9.830 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.249 4.857 -10.356 1.00 0.83 H new ATOM 0 HD2 LYS A 97 1.369 2.353 -11.677 1.00 1.15 H new ATOM 0 HD3 LYS A 97 0.152 3.436 -12.324 1.00 1.15 H new ATOM 0 HE2 LYS A 97 1.924 5.290 -12.225 1.00 1.56 H new ATOM 0 HE3 LYS A 97 3.097 4.037 -11.870 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 2.866 4.675 -14.268 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 2.724 3.013 -13.951 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 1.336 3.939 -14.261 1.00 2.15 H new ATOM 1207 N THR A 98 3.657 5.592 -7.141 1.00 0.40 N ATOM 1208 CA THR A 98 4.944 5.760 -6.489 1.00 0.46 C ATOM 1209 C THR A 98 4.762 5.998 -4.987 1.00 0.41 C ATOM 1210 O THR A 98 5.734 6.118 -4.241 1.00 0.48 O ATOM 1211 CB THR A 98 5.709 6.953 -7.112 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.488 6.992 -8.532 1.00 1.01 O ATOM 1213 CG2 THR A 98 7.202 6.843 -6.846 1.00 1.15 C ATOM 0 H THR A 98 3.273 6.456 -7.523 1.00 0.40 H new ATOM 0 HA THR A 98 5.520 4.846 -6.635 1.00 0.46 H new ATOM 0 HB THR A 98 5.335 7.867 -6.652 1.00 0.59 H new ATOM 0 HG1 THR A 98 5.974 7.750 -8.918 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.715 7.694 -7.295 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.381 6.837 -5.771 1.00 1.15 H new ATOM 0 HG23 THR A 98 7.582 5.919 -7.282 1.00 1.15 H new ATOM 1221 N PHE A 99 3.505 6.074 -4.557 1.00 0.32 N ATOM 1222 CA PHE A 99 3.174 6.259 -3.147 1.00 0.32 C ATOM 1223 C PHE A 99 2.687 4.948 -2.542 1.00 0.30 C ATOM 1224 O PHE A 99 2.580 4.811 -1.322 1.00 0.31 O ATOM 1225 CB PHE A 99 2.095 7.332 -2.989 1.00 0.34 C ATOM 1226 CG PHE A 99 2.550 8.709 -3.379 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.301 9.481 -2.508 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.214 9.235 -4.617 1.00 0.77 C ATOM 1229 CE1 PHE A 99 3.719 10.746 -2.867 1.00 0.90 C ATOM 1230 CE2 PHE A 99 2.630 10.499 -4.981 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.404 11.250 -4.098 1.00 0.47 C ATOM 0 H PHE A 99 2.693 6.010 -5.171 1.00 0.32 H new ATOM 0 HA PHE A 99 4.074 6.581 -2.622 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.232 7.059 -3.596 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.762 7.350 -1.951 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.562 9.088 -1.537 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.621 8.649 -5.303 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.297 11.339 -2.174 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.358 10.904 -5.944 1.00 0.81 H new ATOM 0 HZ PHE A 99 3.755 12.230 -4.386 1.00 0.47 H new ATOM 1241 N ILE A 100 2.378 3.994 -3.416 1.00 0.32 N ATOM 1242 CA ILE A 100 1.878 2.696 -2.990 1.00 0.32 C ATOM 1243 C ILE A 100 3.013 1.906 -2.367 1.00 0.34 C ATOM 1244 O ILE A 100 3.821 1.314 -3.079 1.00 0.43 O ATOM 1245 CB ILE A 100 1.302 1.860 -4.163 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.272 2.652 -4.975 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.673 0.574 -3.637 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.397 1.837 -6.069 1.00 0.38 C ATOM 0 H ILE A 100 2.467 4.099 -4.427 1.00 0.32 H new ATOM 0 HA ILE A 100 1.074 2.883 -2.278 1.00 0.32 H new ATOM 0 HB ILE A 100 2.131 1.613 -4.826 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.493 3.036 -4.300 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.762 3.515 -5.425 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.273 -0.003 -4.471 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.429 -0.015 -3.118 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.133 0.820 -2.946 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -1.113 2.462 -6.602 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.358 1.475 -6.767 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.917 0.988 -5.624 1.00 0.38 H new ATOM 1260 N ILE A 101 3.092 1.909 -1.050 1.00 0.32 N ATOM 1261 CA ILE A 101 4.175 1.209 -0.384 1.00 0.35 C ATOM 1262 C ILE A 101 3.919 -0.290 -0.357 1.00 0.36 C ATOM 1263 O ILE A 101 4.840 -1.072 -0.139 1.00 0.43 O ATOM 1264 CB ILE A 101 4.424 1.729 1.047 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.123 1.708 1.856 1.00 0.33 C ATOM 1266 CG2 ILE A 101 5.026 3.126 1.008 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.289 2.123 3.302 1.00 0.38 C ATOM 0 H ILE A 101 2.433 2.379 -0.429 1.00 0.32 H new ATOM 0 HA ILE A 101 5.075 1.408 -0.965 1.00 0.35 H new ATOM 0 HB ILE A 101 5.138 1.070 1.541 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.400 2.371 1.379 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.703 0.703 1.823 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.195 3.478 2.026 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.974 3.099 0.471 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.340 3.804 0.499 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.323 2.082 3.806 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.986 1.446 3.797 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.678 3.140 3.346 1.00 0.38 H new ATOM 1279 N GLY A 102 2.667 -0.686 -0.578 1.00 0.33 N ATOM 1280 CA GLY A 102 2.347 -2.096 -0.688 1.00 0.39 C ATOM 1281 C GLY A 102 0.862 -2.367 -0.587 1.00 0.35 C ATOM 1282 O GLY A 102 0.044 -1.482 -0.839 1.00 0.35 O ATOM 0 H GLY A 102 1.872 -0.056 -0.682 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.717 -2.475 -1.640 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.867 -2.645 0.097 1.00 0.39 H new ATOM 1286 N GLU A 103 0.522 -3.593 -0.214 1.00 0.40 N ATOM 1287 CA GLU A 103 -0.869 -3.986 -0.004 1.00 0.42 C ATOM 1288 C GLU A 103 -1.069 -4.421 1.447 1.00 0.37 C ATOM 1289 O GLU A 103 -0.215 -4.145 2.291 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.258 -5.107 -0.969 1.00 0.52 C ATOM 1291 CG GLU A 103 -1.190 -4.671 -2.422 1.00 0.74 C ATOM 1292 CD GLU A 103 -1.547 -5.758 -3.409 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -2.616 -6.389 -3.233 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -0.747 -6.014 -4.327 1.00 1.85 O ATOM 0 H GLU A 103 1.196 -4.341 -0.049 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.516 -3.132 -0.204 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.596 -5.959 -0.817 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.269 -5.444 -0.741 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -1.863 -3.826 -2.569 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -0.182 -4.316 -2.637 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.169 -5.108 1.750 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.439 -5.505 3.133 1.00 0.42 C ATOM 1303 C LEU A 104 -2.094 -6.974 3.383 1.00 0.42 C ATOM 1304 O LEU A 104 -1.967 -7.763 2.442 1.00 0.48 O ATOM 1305 CB LEU A 104 -3.896 -5.226 3.535 1.00 0.51 C ATOM 1306 CG LEU A 104 -4.323 -3.757 3.466 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -5.583 -3.517 4.279 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -3.216 -2.843 3.950 1.00 1.33 C ATOM 0 H LEU A 104 -2.875 -5.397 1.073 1.00 0.40 H new ATOM 0 HA LEU A 104 -1.790 -4.893 3.760 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.552 -5.809 2.889 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.050 -5.585 4.553 1.00 0.51 H new ATOM 0 HG LEU A 104 -4.532 -3.527 2.421 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -5.864 -2.466 4.213 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -6.392 -4.134 3.888 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -5.399 -3.778 5.321 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -3.548 -1.806 3.890 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -2.970 -3.086 4.984 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -2.333 -2.978 3.325 1.00 1.33 H new ATOM 1320 N HIS A 105 -1.935 -7.335 4.651 1.00 0.48 N ATOM 1321 CA HIS A 105 -1.615 -8.706 5.035 1.00 0.53 C ATOM 1322 C HIS A 105 -2.813 -9.621 4.755 1.00 0.60 C ATOM 1323 O HIS A 105 -3.881 -9.155 4.362 1.00 0.64 O ATOM 1324 CB HIS A 105 -1.259 -8.772 6.535 1.00 0.68 C ATOM 1325 CG HIS A 105 0.207 -8.719 6.857 1.00 1.13 C ATOM 1326 ND1 HIS A 105 1.108 -7.727 6.699 1.00 1.82 N flip ATOM 1327 CD2 HIS A 105 0.891 -9.752 7.477 1.00 1.68 C flip ATOM 1328 CE1 HIS A 105 2.300 -8.164 7.211 1.00 2.41 C flip ATOM 1329 NE2 HIS A 105 2.147 -9.385 7.677 1.00 2.37 N flip ATOM 0 H HIS A 105 -2.023 -6.691 5.437 1.00 0.48 H new ATOM 0 HA HIS A 105 -0.758 -9.040 4.449 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -1.755 -7.946 7.044 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -1.670 -9.693 6.947 1.00 0.68 H new ATOM 0 HD2 HIS A 105 0.467 -10.706 7.753 1.00 1.68 H new ATOM 0 HE1 HIS A 105 3.219 -7.597 7.229 1.00 2.41 H new ATOM 0 HE2 HIS A 105 2.872 -9.952 8.117 1.00 2.37 H new ATOM 1338 N PRO A 106 -2.622 -10.940 4.904 1.00 0.74 N ATOM 1339 CA PRO A 106 -3.695 -11.950 4.861 1.00 1.00 C ATOM 1340 C PRO A 106 -5.018 -11.524 5.527 1.00 1.18 C ATOM 1341 O PRO A 106 -6.082 -12.033 5.175 1.00 1.67 O ATOM 1342 CB PRO A 106 -3.083 -13.120 5.633 1.00 1.17 C ATOM 1343 CG PRO A 106 -1.599 -12.967 5.530 1.00 1.02 C ATOM 1344 CD PRO A 106 -1.306 -11.575 5.037 1.00 0.79 C ATOM 0 HA PRO A 106 -3.982 -12.160 3.831 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -3.403 -13.107 6.675 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -3.405 -14.073 5.213 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -1.131 -13.134 6.500 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -1.186 -13.708 4.845 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -0.674 -11.032 5.739 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -0.779 -11.596 4.083 1.00 0.79 H new ATOM 1352 N ASP A 107 -4.929 -10.592 6.485 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.067 -10.165 7.307 1.00 1.47 C ATOM 1354 C ASP A 107 -7.068 -9.378 6.475 1.00 1.22 C ATOM 1355 O ASP A 107 -8.208 -9.154 6.891 1.00 1.47 O ATOM 1356 CB ASP A 107 -5.583 -9.306 8.487 1.00 1.90 C ATOM 1357 CG ASP A 107 -4.922 -8.004 8.070 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -3.943 -8.043 7.296 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -5.397 -6.934 8.501 1.00 3.31 O ATOM 0 H ASP A 107 -4.059 -10.110 6.712 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.559 -11.058 7.693 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -6.432 -9.081 9.132 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -4.877 -9.887 9.081 1.00 1.90 H new ATOM 1364 N ASP A 108 -6.596 -8.931 5.316 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.413 -8.173 4.380 1.00 1.11 C ATOM 1366 C ASP A 108 -7.199 -8.628 2.937 1.00 1.14 C ATOM 1367 O ASP A 108 -8.076 -8.458 2.089 1.00 1.53 O ATOM 1368 CB ASP A 108 -7.066 -6.696 4.484 1.00 1.39 C ATOM 1369 CG ASP A 108 -8.090 -5.812 3.790 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -9.198 -5.649 4.329 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -7.774 -5.267 2.713 1.00 3.44 O ATOM 0 H ASP A 108 -5.638 -9.084 5.001 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.457 -8.344 4.642 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -6.999 -6.414 5.535 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.084 -6.524 4.044 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.039 -9.228 2.674 1.00 0.99 N ATOM 1377 CA ARG A 109 -5.605 -9.552 1.320 1.00 1.18 C ATOM 1378 C ARG A 109 -6.698 -10.317 0.554 1.00 1.48 C ATOM 1379 O ARG A 109 -7.076 -9.900 -0.540 1.00 1.98 O ATOM 1380 CB ARG A 109 -4.268 -10.310 1.376 1.00 1.11 C ATOM 1381 CG ARG A 109 -3.489 -10.319 0.077 1.00 1.45 C ATOM 1382 CD ARG A 109 -2.143 -11.021 0.236 1.00 1.73 C ATOM 1383 NE ARG A 109 -2.288 -12.472 0.422 1.00 2.25 N ATOM 1384 CZ ARG A 109 -1.430 -13.375 -0.060 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -0.397 -12.977 -0.793 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -1.596 -14.675 0.196 1.00 3.35 N ATOM 0 H ARG A 109 -5.374 -9.503 3.397 1.00 0.99 H new ATOM 0 HA ARG A 109 -5.439 -8.632 0.760 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -3.646 -9.865 2.153 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -4.463 -11.340 1.674 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -4.073 -10.820 -0.695 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -3.329 -9.295 -0.259 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -1.530 -10.830 -0.645 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -1.614 -10.599 1.091 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.092 -12.809 0.951 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -0.261 -11.985 -0.986 1.00 2.73 H new ATOM 0 HH12 ARG A 109 0.261 -13.663 -1.163 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -2.384 -14.986 0.764 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -0.935 -15.357 -0.177 1.00 3.35 H new