USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=21 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 51 HIS : no HD1:sc= 0.45 K(o=1.2,f=-3.3!) USER MOD Set 1.2: A 80 THR OG1 : rot -25:sc= 0.725 USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 128:sc= 1.1 USER MOD Set 3.1: A 30 LYS NZ :NH3+ 168:sc= 0.398 (180deg=-0.15) USER MOD Set 3.2: A 32 TYR OH : rot 180:sc= 0.23 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -51:sc= 0.606 USER MOD Single : A 38 GLN :FLIP amide:sc= -1.34 F(o=-6!,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.121 K(o=-0.12,f=-1.1) USER MOD Single : A 41 ASN : amide:sc= -0.0118 K(o=-0.012,f=-3.4!) USER MOD Single : A 42 HIS : no HD1:sc= -0.514 K(o=-0.51,f=-2.6) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0411 (180deg=-0.298) USER MOD Single : A 46 THR OG1 : rot -31:sc= 0.235 USER MOD Single : A 52 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 59 LYS NZ :NH3+ -159:sc= -0.0856 (180deg=-0.486) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 82 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.58) USER MOD Single : A 88 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-3.9!) USER MOD Single : A 89 SER OG : rot -51:sc= 0.13 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 167:sc= -0.655 USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 2 (180deg=1.6) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 105 HIS : no HE2:sc= -2.87! C(o=-2.9!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 2.676 -8.750 -4.481 1.00 1.65 N ATOM 109 CA VAL A 29 2.433 -7.511 -3.749 1.00 1.29 C ATOM 110 C VAL A 29 2.954 -7.625 -2.312 1.00 1.04 C ATOM 111 O VAL A 29 2.812 -8.666 -1.665 1.00 1.10 O ATOM 112 CB VAL A 29 0.928 -7.137 -3.731 1.00 1.34 C ATOM 113 CG1 VAL A 29 0.092 -8.256 -3.142 1.00 1.70 C ATOM 114 CG2 VAL A 29 0.706 -5.843 -2.966 1.00 1.82 C ATOM 0 HA VAL A 29 2.972 -6.719 -4.269 1.00 1.29 H new ATOM 0 HB VAL A 29 0.608 -6.987 -4.762 1.00 1.34 H new ATOM 0 HG11 VAL A 29 -0.958 -7.965 -3.143 1.00 1.70 H new ATOM 0 HG12 VAL A 29 0.219 -9.158 -3.740 1.00 1.70 H new ATOM 0 HG13 VAL A 29 0.414 -8.451 -2.119 1.00 1.70 H new ATOM 0 HG21 VAL A 29 -0.356 -5.598 -2.965 1.00 1.82 H new ATOM 0 HG22 VAL A 29 1.051 -5.964 -1.939 1.00 1.82 H new ATOM 0 HG23 VAL A 29 1.263 -5.037 -3.444 1.00 1.82 H new ATOM 124 N LYS A 30 3.567 -6.554 -1.828 1.00 0.90 N ATOM 125 CA LYS A 30 4.110 -6.524 -0.475 1.00 0.79 C ATOM 126 C LYS A 30 2.972 -6.283 0.522 1.00 0.63 C ATOM 127 O LYS A 30 2.199 -5.343 0.351 1.00 0.66 O ATOM 128 CB LYS A 30 5.178 -5.416 -0.377 1.00 0.87 C ATOM 129 CG LYS A 30 6.296 -5.655 0.635 1.00 1.26 C ATOM 130 CD LYS A 30 5.823 -5.578 2.076 1.00 2.11 C ATOM 131 CE LYS A 30 7.003 -5.460 3.033 1.00 2.93 C ATOM 132 NZ LYS A 30 7.704 -4.152 2.896 1.00 3.71 N ATOM 0 H LYS A 30 3.702 -5.690 -2.354 1.00 0.90 H new ATOM 0 HA LYS A 30 4.581 -7.478 -0.237 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.627 -5.283 -1.361 1.00 0.87 H new ATOM 0 HB3 LYS A 30 4.680 -4.480 -0.125 1.00 0.87 H new ATOM 0 HG2 LYS A 30 6.737 -6.636 0.456 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.084 -4.918 0.478 1.00 1.26 H new ATOM 0 HD2 LYS A 30 5.162 -4.720 2.200 1.00 2.11 H new ATOM 0 HD3 LYS A 30 5.240 -6.467 2.319 1.00 2.11 H new ATOM 0 HE2 LYS A 30 6.652 -5.577 4.058 1.00 2.93 H new ATOM 0 HE3 LYS A 30 7.707 -6.270 2.843 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 8.363 -4.027 3.691 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 8.233 -4.134 2.001 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 7.005 -3.382 2.901 1.00 3.71 H new ATOM 146 N TYR A 31 2.855 -7.116 1.547 1.00 0.56 N ATOM 147 CA TYR A 31 1.766 -6.959 2.512 1.00 0.49 C ATOM 148 C TYR A 31 2.224 -6.235 3.771 1.00 0.50 C ATOM 149 O TYR A 31 3.416 -6.182 4.076 1.00 0.64 O ATOM 150 CB TYR A 31 1.150 -8.308 2.910 1.00 0.56 C ATOM 151 CG TYR A 31 0.649 -9.129 1.742 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.265 -8.613 0.832 1.00 0.61 C ATOM 153 CD2 TYR A 31 1.109 -10.420 1.544 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.706 -9.369 -0.237 1.00 0.75 C ATOM 155 CE2 TYR A 31 0.678 -11.177 0.481 1.00 0.94 C ATOM 156 CZ TYR A 31 -0.310 -10.617 -0.396 1.00 0.89 C ATOM 157 OH TYR A 31 -0.658 -11.418 -1.464 1.00 1.06 O ATOM 0 H TYR A 31 3.486 -7.895 1.734 1.00 0.56 H new ATOM 0 HA TYR A 31 1.008 -6.358 2.010 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.895 -8.888 3.455 1.00 0.56 H new ATOM 0 HB3 TYR A 31 0.322 -8.129 3.596 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.636 -7.607 0.962 1.00 0.61 H new ATOM 0 HD2 TYR A 31 1.821 -10.840 2.239 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -1.385 -8.931 -0.953 1.00 0.75 H new ATOM 0 HE2 TYR A 31 1.073 -12.168 0.310 1.00 0.94 H new ATOM 0 HH TYR A 31 -0.242 -12.300 -1.361 1.00 1.06 H new ATOM 167 N TYR A 32 1.263 -5.668 4.482 1.00 0.43 N ATOM 168 CA TYR A 32 1.493 -5.108 5.806 1.00 0.46 C ATOM 169 C TYR A 32 0.418 -5.617 6.758 1.00 0.53 C ATOM 170 O TYR A 32 -0.263 -6.588 6.446 1.00 0.89 O ATOM 171 CB TYR A 32 1.526 -3.576 5.745 1.00 0.46 C ATOM 172 CG TYR A 32 2.743 -3.056 5.022 1.00 0.52 C ATOM 173 CD1 TYR A 32 3.934 -2.834 5.696 1.00 1.09 C ATOM 174 CD2 TYR A 32 2.688 -2.759 3.668 1.00 0.98 C ATOM 175 CE1 TYR A 32 5.039 -2.325 5.041 1.00 1.20 C ATOM 176 CE2 TYR A 32 3.790 -2.255 3.004 1.00 1.03 C ATOM 177 CZ TYR A 32 5.005 -2.162 3.684 1.00 0.81 C ATOM 178 OH TYR A 32 6.057 -1.515 3.050 1.00 0.96 O ATOM 0 H TYR A 32 0.300 -5.582 4.158 1.00 0.43 H new ATOM 0 HA TYR A 32 2.464 -5.431 6.180 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.627 -3.216 5.244 1.00 0.46 H new ATOM 0 HB3 TYR A 32 1.509 -3.174 6.758 1.00 0.46 H new ATOM 0 HD1 TYR A 32 3.999 -3.062 6.750 1.00 1.09 H new ATOM 0 HD2 TYR A 32 1.770 -2.924 3.124 1.00 0.98 H new ATOM 0 HE1 TYR A 32 5.925 -2.057 5.598 1.00 1.20 H new ATOM 0 HE2 TYR A 32 3.712 -1.938 1.975 1.00 1.03 H new ATOM 0 HH TYR A 32 5.886 -1.479 2.086 1.00 0.96 H new ATOM 188 N THR A 33 0.276 -5.012 7.921 1.00 0.48 N ATOM 189 CA THR A 33 -0.789 -5.399 8.832 1.00 0.57 C ATOM 190 C THR A 33 -1.828 -4.292 8.975 1.00 0.56 C ATOM 191 O THR A 33 -1.488 -3.107 8.999 1.00 0.60 O ATOM 192 CB THR A 33 -0.237 -5.776 10.226 1.00 0.72 C ATOM 193 OG1 THR A 33 0.615 -4.735 10.724 1.00 0.77 O ATOM 194 CG2 THR A 33 0.533 -7.086 10.167 1.00 0.82 C ATOM 0 H THR A 33 0.876 -4.259 8.257 1.00 0.48 H new ATOM 0 HA THR A 33 -1.268 -6.277 8.399 1.00 0.57 H new ATOM 0 HB THR A 33 -1.083 -5.899 10.902 1.00 0.72 H new ATOM 0 HG1 THR A 33 1.281 -4.504 10.043 1.00 0.77 H new ATOM 0 HG21 THR A 33 0.912 -7.330 11.159 1.00 0.82 H new ATOM 0 HG22 THR A 33 -0.129 -7.882 9.825 1.00 0.82 H new ATOM 0 HG23 THR A 33 1.369 -6.986 9.474 1.00 0.82 H new ATOM 202 N LEU A 34 -3.100 -4.684 9.044 1.00 0.60 N ATOM 203 CA LEU A 34 -4.183 -3.741 9.313 1.00 0.64 C ATOM 204 C LEU A 34 -3.879 -2.960 10.590 1.00 0.58 C ATOM 205 O LEU A 34 -4.171 -1.772 10.724 1.00 0.59 O ATOM 206 CB LEU A 34 -5.510 -4.496 9.447 1.00 0.86 C ATOM 207 CG LEU A 34 -6.762 -3.615 9.549 1.00 1.02 C ATOM 208 CD1 LEU A 34 -6.919 -2.753 8.304 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.002 -4.472 9.759 1.00 1.46 C ATOM 0 H LEU A 34 -3.405 -5.649 8.917 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.266 -3.038 8.484 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -5.621 -5.157 8.587 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -5.460 -5.130 10.332 1.00 0.86 H new ATOM 0 HG LEU A 34 -6.645 -2.956 10.410 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -7.813 -2.137 8.398 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.045 -2.110 8.194 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -7.011 -3.394 7.427 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -8.880 -3.830 9.829 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.118 -5.156 8.918 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -7.897 -5.045 10.680 1.00 1.46 H new ATOM 221 N GLU A 35 -3.245 -3.708 11.515 1.00 0.65 N ATOM 222 CA GLU A 35 -2.846 -3.238 12.839 1.00 0.77 C ATOM 223 C GLU A 35 -2.043 -1.955 12.764 1.00 0.73 C ATOM 224 O GLU A 35 -2.275 -1.009 13.510 1.00 0.88 O ATOM 225 CB GLU A 35 -1.961 -4.283 13.525 1.00 0.94 C ATOM 226 CG GLU A 35 -2.659 -5.558 13.952 1.00 1.41 C ATOM 227 CD GLU A 35 -1.758 -6.405 14.834 1.00 1.91 C ATOM 228 OE1 GLU A 35 -1.617 -6.092 16.031 1.00 2.34 O ATOM 229 OE2 GLU A 35 -1.220 -7.415 14.330 1.00 2.56 O ATOM 0 H GLU A 35 -2.993 -4.682 11.348 1.00 0.65 H new ATOM 0 HA GLU A 35 -3.765 -3.065 13.399 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -1.148 -4.545 12.847 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -1.508 -3.827 14.405 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -3.574 -5.312 14.491 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -2.951 -6.129 13.071 1.00 1.41 H new ATOM 236 N GLU A 36 -1.050 -1.973 11.880 1.00 0.63 N ATOM 237 CA GLU A 36 -0.022 -0.950 11.849 1.00 0.74 C ATOM 238 C GLU A 36 -0.488 0.287 11.113 1.00 0.67 C ATOM 239 O GLU A 36 -0.053 1.391 11.410 1.00 0.82 O ATOM 240 CB GLU A 36 1.243 -1.515 11.202 1.00 0.85 C ATOM 241 CG GLU A 36 1.123 -1.777 9.709 1.00 0.95 C ATOM 242 CD GLU A 36 2.381 -2.386 9.146 1.00 1.24 C ATOM 243 OE1 GLU A 36 3.378 -1.649 8.997 1.00 1.76 O ATOM 244 OE2 GLU A 36 2.372 -3.592 8.832 1.00 1.67 O ATOM 0 H GLU A 36 -0.940 -2.696 11.169 1.00 0.63 H new ATOM 0 HA GLU A 36 0.197 -0.653 12.875 1.00 0.74 H new ATOM 0 HB2 GLU A 36 2.065 -0.819 11.371 1.00 0.85 H new ATOM 0 HB3 GLU A 36 1.507 -2.447 11.702 1.00 0.85 H new ATOM 0 HG2 GLU A 36 0.281 -2.444 9.523 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.909 -0.842 9.192 1.00 0.95 H new ATOM 251 N ILE A 37 -1.365 0.077 10.138 1.00 0.52 N ATOM 252 CA ILE A 37 -1.926 1.163 9.349 1.00 0.50 C ATOM 253 C ILE A 37 -2.881 1.989 10.201 1.00 0.53 C ATOM 254 O ILE A 37 -3.119 3.164 9.935 1.00 0.72 O ATOM 255 CB ILE A 37 -2.657 0.609 8.111 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.709 -0.292 7.316 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.174 1.743 7.234 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.384 -1.024 6.183 1.00 0.72 C ATOM 0 H ILE A 37 -1.705 -0.848 9.874 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.112 1.804 9.010 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.515 0.024 8.442 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.897 0.314 6.914 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.260 -1.020 7.992 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.686 1.327 6.366 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.869 2.357 7.806 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.337 2.357 6.901 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.653 -1.643 5.663 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.178 -1.656 6.580 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.809 -0.302 5.486 1.00 0.72 H new ATOM 270 N GLN A 38 -3.419 1.356 11.234 1.00 0.48 N ATOM 271 CA GLN A 38 -4.209 2.049 12.239 1.00 0.52 C ATOM 272 C GLN A 38 -3.307 2.867 13.147 1.00 0.54 C ATOM 273 O GLN A 38 -3.695 3.899 13.679 1.00 0.64 O ATOM 274 CB GLN A 38 -4.980 1.041 13.081 1.00 0.56 C ATOM 275 CG GLN A 38 -6.124 0.356 12.351 1.00 0.78 C ATOM 276 CD GLN A 38 -7.321 1.265 12.092 1.00 0.72 C ATOM 277 OE1 GLN A 38 -7.077 2.540 11.816 1.00 1.11 O flip ATOM 278 NE2 GLN A 38 -8.465 0.808 12.105 1.00 0.74 N flip ATOM 0 H GLN A 38 -3.321 0.354 11.398 1.00 0.48 H new ATOM 0 HA GLN A 38 -4.908 2.713 11.730 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.287 0.280 13.440 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.378 1.549 13.959 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -5.757 -0.027 11.398 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -6.452 -0.504 12.935 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -8.618 -0.177 12.321 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -9.259 1.415 11.900 1.00 0.74 H new ATOM 287 N LYS A 39 -2.092 2.373 13.315 1.00 0.54 N ATOM 288 CA LYS A 39 -1.135 2.943 14.246 1.00 0.62 C ATOM 289 C LYS A 39 -0.271 3.977 13.527 1.00 0.58 C ATOM 290 O LYS A 39 0.622 4.583 14.112 1.00 0.66 O ATOM 291 CB LYS A 39 -0.282 1.800 14.803 1.00 0.77 C ATOM 292 CG LYS A 39 0.431 2.119 16.106 1.00 1.28 C ATOM 293 CD LYS A 39 1.047 0.865 16.710 1.00 1.57 C ATOM 294 CE LYS A 39 2.086 0.253 15.783 1.00 2.08 C ATOM 295 NZ LYS A 39 2.536 -1.087 16.249 1.00 2.52 N ATOM 0 H LYS A 39 -1.741 1.561 12.807 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.643 3.450 15.066 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -0.920 0.930 14.957 1.00 0.77 H new ATOM 0 HB3 LYS A 39 0.461 1.522 14.056 1.00 0.77 H new ATOM 0 HG2 LYS A 39 1.209 2.861 15.927 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -0.273 2.559 16.812 1.00 1.28 H new ATOM 0 HD2 LYS A 39 1.510 1.110 17.666 1.00 1.57 H new ATOM 0 HD3 LYS A 39 0.264 0.135 16.913 1.00 1.57 H new ATOM 0 HE2 LYS A 39 1.669 0.166 14.780 1.00 2.08 H new ATOM 0 HE3 LYS A 39 2.946 0.919 15.714 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 3.243 -1.465 15.587 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 2.958 -1.002 17.195 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 1.721 -1.732 16.291 1.00 2.52 H new ATOM 309 N HIS A 40 -0.556 4.152 12.240 1.00 0.53 N ATOM 310 CA HIS A 40 0.215 5.028 11.366 1.00 0.56 C ATOM 311 C HIS A 40 -0.679 6.090 10.735 1.00 0.65 C ATOM 312 O HIS A 40 -0.367 6.621 9.676 1.00 0.93 O ATOM 313 CB HIS A 40 0.870 4.199 10.254 1.00 0.56 C ATOM 314 CG HIS A 40 2.106 3.468 10.680 1.00 0.93 C ATOM 315 ND1 HIS A 40 2.408 2.192 10.265 1.00 1.08 N ATOM 316 CD2 HIS A 40 3.136 3.860 11.457 1.00 1.39 C ATOM 317 CE1 HIS A 40 3.573 1.831 10.769 1.00 1.59 C ATOM 318 NE2 HIS A 40 4.043 2.829 11.496 1.00 1.80 N ATOM 0 H HIS A 40 -1.334 3.687 11.772 1.00 0.53 H new ATOM 0 HA HIS A 40 0.980 5.522 11.965 1.00 0.56 H new ATOM 0 HB2 HIS A 40 0.145 3.476 9.880 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.120 4.859 9.423 1.00 0.56 H new ATOM 0 HD1 HIS A 40 1.823 1.615 9.662 1.00 1.08 H new ATOM 0 HD2 HIS A 40 3.231 4.812 11.958 1.00 1.39 H new ATOM 0 HE1 HIS A 40 4.060 0.880 10.613 1.00 1.59 H new ATOM 327 N ASN A 41 -1.797 6.379 11.386 1.00 0.56 N ATOM 328 CA ASN A 41 -2.833 7.245 10.817 1.00 0.64 C ATOM 329 C ASN A 41 -2.799 8.629 11.454 1.00 0.82 C ATOM 330 O ASN A 41 -3.801 9.342 11.473 1.00 1.20 O ATOM 331 CB ASN A 41 -4.208 6.614 11.062 1.00 0.69 C ATOM 332 CG ASN A 41 -4.662 6.720 12.510 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.852 6.684 13.438 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.966 6.873 12.706 1.00 1.74 N ATOM 0 H ASN A 41 -2.015 6.025 12.317 1.00 0.56 H new ATOM 0 HA ASN A 41 -2.647 7.350 9.748 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -4.944 7.099 10.420 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.176 5.563 10.773 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -6.332 6.966 13.654 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.602 6.897 11.909 1.00 1.74 H new ATOM 341 N HIS A 42 -1.631 9.009 11.960 1.00 0.73 N ATOM 342 CA HIS A 42 -1.540 10.127 12.889 1.00 0.97 C ATOM 343 C HIS A 42 -0.488 11.159 12.478 1.00 1.06 C ATOM 344 O HIS A 42 0.029 11.126 11.371 1.00 1.54 O ATOM 345 CB HIS A 42 -1.238 9.604 14.300 1.00 1.05 C ATOM 346 CG HIS A 42 -0.054 8.677 14.395 1.00 0.90 C ATOM 347 ND1 HIS A 42 1.056 8.762 13.577 1.00 0.81 N ATOM 348 CD2 HIS A 42 0.194 7.655 15.245 1.00 1.14 C ATOM 349 CE1 HIS A 42 1.932 7.838 13.930 1.00 0.87 C ATOM 350 NE2 HIS A 42 1.431 7.152 14.937 1.00 1.08 N ATOM 0 H HIS A 42 -0.740 8.562 11.744 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.504 10.636 12.874 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -1.067 10.456 14.958 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -2.119 9.083 14.675 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -0.463 7.300 16.025 1.00 1.14 H new ATOM 0 HE1 HIS A 42 2.896 7.673 13.471 1.00 0.87 H new ATOM 0 HE2 HIS A 42 1.889 6.373 15.410 1.00 1.08 H new ATOM 359 N SER A 43 -0.168 12.052 13.411 1.00 1.01 N ATOM 360 CA SER A 43 0.747 13.164 13.169 1.00 1.12 C ATOM 361 C SER A 43 2.127 12.689 12.700 1.00 0.97 C ATOM 362 O SER A 43 2.579 13.038 11.615 1.00 1.05 O ATOM 363 CB SER A 43 0.864 13.990 14.454 1.00 1.34 C ATOM 364 OG SER A 43 1.028 13.147 15.582 1.00 2.00 O ATOM 0 H SER A 43 -0.538 12.024 14.361 1.00 1.01 H new ATOM 0 HA SER A 43 0.343 13.778 12.364 1.00 1.12 H new ATOM 0 HB2 SER A 43 1.711 14.671 14.378 1.00 1.34 H new ATOM 0 HB3 SER A 43 -0.028 14.603 14.580 1.00 1.34 H new ATOM 0 HG SER A 43 1.102 13.694 16.391 1.00 2.00 H new ATOM 370 N LYS A 44 2.780 11.885 13.545 1.00 0.89 N ATOM 371 CA LYS A 44 4.184 11.489 13.354 1.00 0.89 C ATOM 372 C LYS A 44 4.423 10.701 12.069 1.00 0.77 C ATOM 373 O LYS A 44 5.567 10.525 11.655 1.00 0.94 O ATOM 374 CB LYS A 44 4.648 10.655 14.544 1.00 1.01 C ATOM 375 CG LYS A 44 5.574 11.405 15.484 1.00 1.53 C ATOM 376 CD LYS A 44 6.141 10.483 16.550 1.00 2.16 C ATOM 377 CE LYS A 44 7.121 11.208 17.460 1.00 2.63 C ATOM 378 NZ LYS A 44 8.272 11.776 16.708 1.00 3.26 N ATOM 0 H LYS A 44 2.352 11.489 14.382 1.00 0.89 H new ATOM 0 HA LYS A 44 4.758 12.412 13.275 1.00 0.89 H new ATOM 0 HB2 LYS A 44 3.775 10.314 15.101 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.159 9.765 14.177 1.00 1.01 H new ATOM 0 HG2 LYS A 44 6.389 11.852 14.915 1.00 1.53 H new ATOM 0 HG3 LYS A 44 5.031 12.222 15.958 1.00 1.53 H new ATOM 0 HD2 LYS A 44 5.326 10.073 17.147 1.00 2.16 H new ATOM 0 HD3 LYS A 44 6.642 9.641 16.073 1.00 2.16 H new ATOM 0 HE2 LYS A 44 6.602 12.009 17.985 1.00 2.63 H new ATOM 0 HE3 LYS A 44 7.490 10.517 18.218 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 9.029 12.032 17.373 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 8.629 11.069 16.033 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 7.964 12.624 16.191 1.00 3.26 H new ATOM 392 N SER A 45 3.347 10.220 11.471 1.00 0.63 N ATOM 393 CA SER A 45 3.403 9.460 10.233 1.00 0.62 C ATOM 394 C SER A 45 1.986 9.272 9.729 1.00 0.65 C ATOM 395 O SER A 45 1.104 8.892 10.504 1.00 1.05 O ATOM 396 CB SER A 45 4.098 8.103 10.427 1.00 0.65 C ATOM 397 OG SER A 45 4.087 7.335 9.236 1.00 1.31 O ATOM 0 H SER A 45 2.402 10.347 11.833 1.00 0.63 H new ATOM 0 HA SER A 45 3.995 10.009 9.501 1.00 0.62 H new ATOM 0 HB2 SER A 45 5.127 8.264 10.747 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.599 7.549 11.222 1.00 0.65 H new ATOM 0 HG SER A 45 4.538 6.480 9.394 1.00 1.31 H new ATOM 403 N THR A 46 1.762 9.524 8.451 1.00 0.43 N ATOM 404 CA THR A 46 0.415 9.500 7.903 1.00 0.42 C ATOM 405 C THR A 46 0.279 8.464 6.784 1.00 0.39 C ATOM 406 O THR A 46 0.735 8.681 5.661 1.00 0.47 O ATOM 407 CB THR A 46 0.031 10.892 7.369 1.00 0.51 C ATOM 408 OG1 THR A 46 0.279 11.875 8.378 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.430 10.953 6.952 1.00 0.64 C ATOM 0 H THR A 46 2.492 9.747 7.774 1.00 0.43 H new ATOM 0 HA THR A 46 -0.262 9.219 8.710 1.00 0.42 H new ATOM 0 HB THR A 46 0.640 11.092 6.488 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.155 11.474 9.263 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.661 11.952 6.581 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.615 10.222 6.165 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.063 10.729 7.811 1.00 0.64 H new ATOM 417 N TRP A 47 -0.318 7.330 7.109 1.00 0.37 N ATOM 418 CA TRP A 47 -0.672 6.345 6.100 1.00 0.36 C ATOM 419 C TRP A 47 -2.150 6.435 5.770 1.00 0.37 C ATOM 420 O TRP A 47 -2.925 7.053 6.500 1.00 0.50 O ATOM 421 CB TRP A 47 -0.350 4.914 6.549 1.00 0.37 C ATOM 422 CG TRP A 47 1.107 4.597 6.594 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.144 5.467 6.459 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.687 3.304 6.782 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.338 4.799 6.567 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.085 3.466 6.765 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.160 2.025 6.972 1.00 0.40 C ATOM 428 CZ2 TRP A 47 3.962 2.396 6.927 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.028 0.963 7.128 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.415 1.155 7.106 1.00 0.47 C ATOM 0 H TRP A 47 -0.568 7.068 8.063 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.074 6.570 5.217 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.776 4.752 7.539 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.841 4.214 5.873 1.00 0.37 H new ATOM 0 HD1 TRP A 47 2.042 6.529 6.291 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.263 5.225 6.509 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.092 1.869 6.996 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.032 2.541 6.912 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.631 -0.031 7.269 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.068 0.304 7.233 1.00 0.47 H new ATOM 441 N LEU A 48 -2.537 5.802 4.681 1.00 0.31 N ATOM 442 CA LEU A 48 -3.938 5.666 4.325 1.00 0.31 C ATOM 443 C LEU A 48 -4.103 4.498 3.370 1.00 0.28 C ATOM 444 O LEU A 48 -3.118 3.904 2.937 1.00 0.29 O ATOM 445 CB LEU A 48 -4.520 6.950 3.698 1.00 0.37 C ATOM 446 CG LEU A 48 -4.016 7.317 2.295 1.00 0.45 C ATOM 447 CD1 LEU A 48 -4.963 8.313 1.643 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.612 7.903 2.350 1.00 0.55 C ATOM 0 H LEU A 48 -1.893 5.368 4.019 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.495 5.484 5.244 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.604 6.847 3.655 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.305 7.784 4.367 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.983 6.404 1.700 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.596 8.566 0.648 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -5.956 7.871 1.562 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.016 9.216 2.251 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.282 8.153 1.342 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.617 8.804 2.964 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -1.930 7.172 2.784 1.00 0.55 H new ATOM 460 N ILE A 49 -5.333 4.162 3.054 1.00 0.34 N ATOM 461 CA ILE A 49 -5.612 3.136 2.064 1.00 0.36 C ATOM 462 C ILE A 49 -6.537 3.736 1.014 1.00 0.42 C ATOM 463 O ILE A 49 -7.345 4.608 1.327 1.00 0.65 O ATOM 464 CB ILE A 49 -6.259 1.891 2.712 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.463 1.466 3.949 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.323 0.739 1.722 1.00 0.49 C ATOM 467 CD1 ILE A 49 -6.106 0.341 4.730 1.00 0.46 C ATOM 0 H ILE A 49 -6.163 4.585 3.469 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.680 2.807 1.605 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.275 2.151 3.010 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.465 1.157 3.639 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.340 2.328 4.605 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.782 -0.126 2.200 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -6.918 1.034 0.858 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.315 0.482 1.397 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.485 0.095 5.591 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -7.093 0.653 5.071 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.204 -0.536 4.091 1.00 0.46 H new ATOM 479 N LEU A 50 -6.401 3.331 -0.233 1.00 0.41 N ATOM 480 CA LEU A 50 -7.218 3.920 -1.281 1.00 0.53 C ATOM 481 C LEU A 50 -8.003 2.877 -2.049 1.00 0.78 C ATOM 482 O LEU A 50 -8.942 3.216 -2.754 1.00 1.77 O ATOM 483 CB LEU A 50 -6.359 4.727 -2.251 1.00 0.49 C ATOM 484 CG LEU A 50 -6.624 6.235 -2.254 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.837 6.905 -3.365 1.00 0.93 C ATOM 486 CD2 LEU A 50 -8.110 6.526 -2.407 1.00 0.99 C ATOM 0 H LEU A 50 -5.748 2.612 -0.544 1.00 0.41 H new ATOM 0 HA LEU A 50 -7.929 4.582 -0.787 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.310 4.559 -2.009 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -6.519 4.344 -3.259 1.00 0.49 H new ATOM 0 HG LEU A 50 -6.296 6.641 -1.297 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -6.035 7.977 -3.356 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.772 6.731 -3.212 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.138 6.489 -4.326 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -8.272 7.604 -2.406 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.468 6.106 -3.347 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.656 6.077 -1.578 1.00 0.99 H new ATOM 498 N HIS A 51 -7.625 1.619 -1.899 1.00 0.67 N ATOM 499 CA HIS A 51 -8.212 0.527 -2.680 1.00 0.73 C ATOM 500 C HIS A 51 -7.482 -0.766 -2.357 1.00 0.82 C ATOM 501 O HIS A 51 -6.812 -1.315 -3.234 1.00 1.80 O ATOM 502 CB HIS A 51 -8.083 0.810 -4.190 1.00 0.79 C ATOM 503 CG HIS A 51 -9.387 1.100 -4.889 1.00 1.23 C ATOM 504 ND1 HIS A 51 -10.227 0.112 -5.346 1.00 1.87 N ATOM 505 CD2 HIS A 51 -9.980 2.275 -5.217 1.00 1.56 C ATOM 506 CE1 HIS A 51 -11.281 0.665 -5.923 1.00 2.45 C ATOM 507 NE2 HIS A 51 -11.157 1.977 -5.858 1.00 2.30 N ATOM 0 H HIS A 51 -6.908 1.320 -1.238 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.268 0.442 -2.424 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -7.414 1.659 -4.331 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -7.613 -0.049 -4.668 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -9.597 3.264 -5.012 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -12.106 0.132 -6.372 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -11.824 2.657 -6.223 1.00 2.30 H new ATOM 516 N HIS A 52 -7.581 -1.228 -1.100 1.00 0.46 N ATOM 517 CA HIS A 52 -6.785 -2.360 -0.600 1.00 0.42 C ATOM 518 C HIS A 52 -5.333 -1.935 -0.388 1.00 0.43 C ATOM 519 O HIS A 52 -4.720 -2.236 0.634 1.00 0.81 O ATOM 520 CB HIS A 52 -6.806 -3.550 -1.564 1.00 0.58 C ATOM 521 CG HIS A 52 -8.115 -4.268 -1.680 1.00 1.12 C ATOM 522 ND1 HIS A 52 -8.960 -4.123 -2.759 1.00 1.75 N ATOM 523 CD2 HIS A 52 -8.695 -5.187 -0.875 1.00 1.81 C ATOM 524 CE1 HIS A 52 -9.999 -4.922 -2.611 1.00 2.34 C ATOM 525 NE2 HIS A 52 -9.866 -5.584 -1.477 1.00 2.36 N ATOM 0 H HIS A 52 -8.212 -0.829 -0.405 1.00 0.46 H new ATOM 0 HA HIS A 52 -7.235 -2.668 0.344 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.517 -3.197 -2.554 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -6.047 -4.265 -1.246 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -8.309 -5.544 0.068 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -10.822 -5.019 -3.303 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -10.521 -6.274 -1.109 1.00 2.36 H new ATOM 534 N LYS A 53 -4.793 -1.247 -1.384 1.00 0.33 N ATOM 535 CA LYS A 53 -3.402 -0.849 -1.387 1.00 0.36 C ATOM 536 C LYS A 53 -3.159 0.315 -0.435 1.00 0.29 C ATOM 537 O LYS A 53 -3.847 1.339 -0.500 1.00 0.32 O ATOM 538 CB LYS A 53 -2.967 -0.516 -2.818 1.00 0.45 C ATOM 539 CG LYS A 53 -3.344 -1.623 -3.795 1.00 0.66 C ATOM 540 CD LYS A 53 -3.041 -1.283 -5.245 1.00 0.95 C ATOM 541 CE LYS A 53 -1.560 -1.416 -5.541 1.00 1.25 C ATOM 542 NZ LYS A 53 -1.296 -1.619 -6.989 1.00 1.76 N ATOM 0 H LYS A 53 -5.312 -0.951 -2.211 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.794 -1.679 -1.027 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.432 0.419 -3.131 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.888 -0.360 -2.843 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -2.809 -2.533 -3.524 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -4.408 -1.837 -3.695 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -3.607 -1.944 -5.902 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -3.367 -0.265 -5.459 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -1.041 -0.520 -5.200 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -1.152 -2.255 -4.977 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -0.272 -1.705 -7.146 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -1.770 -2.488 -7.310 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -1.662 -0.807 -7.526 1.00 1.76 H new ATOM 556 N VAL A 54 -2.178 0.144 0.438 1.00 0.27 N ATOM 557 CA VAL A 54 -1.856 1.128 1.460 1.00 0.25 C ATOM 558 C VAL A 54 -0.851 2.158 0.924 1.00 0.23 C ATOM 559 O VAL A 54 0.019 1.838 0.105 1.00 0.25 O ATOM 560 CB VAL A 54 -1.284 0.434 2.722 1.00 0.28 C ATOM 561 CG1 VAL A 54 -0.031 -0.362 2.390 1.00 0.30 C ATOM 562 CG2 VAL A 54 -1.003 1.441 3.828 1.00 0.32 C ATOM 0 H VAL A 54 -1.581 -0.683 0.458 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.775 1.647 1.732 1.00 0.25 H new ATOM 0 HB VAL A 54 -2.042 -0.261 3.085 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.348 -0.838 3.294 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -0.271 -1.126 1.651 1.00 0.30 H new ATOM 0 HG13 VAL A 54 0.729 0.307 1.986 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.603 0.922 4.699 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -0.277 2.174 3.477 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.928 1.949 4.101 1.00 0.32 H new ATOM 572 N TYR A 55 -0.991 3.395 1.376 1.00 0.23 N ATOM 573 CA TYR A 55 -0.118 4.481 0.956 1.00 0.25 C ATOM 574 C TYR A 55 0.523 5.165 2.163 1.00 0.27 C ATOM 575 O TYR A 55 0.198 4.857 3.310 1.00 0.35 O ATOM 576 CB TYR A 55 -0.900 5.539 0.173 1.00 0.27 C ATOM 577 CG TYR A 55 -1.358 5.138 -1.213 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.360 4.193 -1.373 1.00 0.74 C ATOM 579 CD2 TYR A 55 -0.759 5.658 -2.353 1.00 0.83 C ATOM 580 CE1 TYR A 55 -2.761 3.783 -2.629 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.149 5.250 -3.612 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.244 4.493 -3.766 1.00 0.42 C ATOM 583 OH TYR A 55 -2.535 3.892 -4.998 1.00 0.49 O ATOM 0 H TYR A 55 -1.711 3.674 2.043 1.00 0.23 H new ATOM 0 HA TYR A 55 0.654 4.043 0.323 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.777 5.819 0.757 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.278 6.430 0.085 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.835 3.770 -0.500 1.00 0.74 H new ATOM 0 HD2 TYR A 55 0.025 6.394 -2.252 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.442 2.954 -2.753 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -0.570 5.542 -4.476 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.153 4.430 -5.723 1.00 0.49 H new ATOM 593 N ASP A 56 1.414 6.107 1.883 1.00 0.34 N ATOM 594 CA ASP A 56 1.973 7.005 2.897 1.00 0.38 C ATOM 595 C ASP A 56 1.967 8.428 2.342 1.00 0.38 C ATOM 596 O ASP A 56 2.166 8.612 1.141 1.00 0.48 O ATOM 597 CB ASP A 56 3.410 6.589 3.271 1.00 0.47 C ATOM 598 CG ASP A 56 4.121 7.588 4.181 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.524 8.668 3.698 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.261 7.311 5.388 1.00 1.32 O ATOM 0 H ASP A 56 1.774 6.274 0.943 1.00 0.34 H new ATOM 0 HA ASP A 56 1.366 6.951 3.800 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.381 5.618 3.765 1.00 0.47 H new ATOM 0 HB3 ASP A 56 3.992 6.465 2.358 1.00 0.47 H new ATOM 605 N LEU A 57 1.702 9.426 3.172 1.00 0.37 N ATOM 606 CA LEU A 57 1.902 10.807 2.743 1.00 0.39 C ATOM 607 C LEU A 57 3.034 11.424 3.547 1.00 0.51 C ATOM 608 O LEU A 57 4.075 11.766 2.995 1.00 1.12 O ATOM 609 CB LEU A 57 0.641 11.685 2.868 1.00 0.45 C ATOM 610 CG LEU A 57 -0.605 11.213 2.100 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.677 12.294 2.099 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.249 10.825 0.674 1.00 1.27 C ATOM 0 H LEU A 57 1.356 9.314 4.125 1.00 0.37 H new ATOM 0 HA LEU A 57 2.148 10.772 1.682 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.382 11.761 3.924 1.00 0.45 H new ATOM 0 HB3 LEU A 57 0.890 12.690 2.528 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.998 10.332 2.608 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.550 11.940 1.551 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -1.962 12.525 3.125 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.287 13.192 1.620 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.147 10.495 0.152 1.00 1.27 H new ATOM 0 HD22 LEU A 57 0.175 11.686 0.158 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.481 10.015 0.689 1.00 1.27 H new ATOM 624 N THR A 58 2.797 11.544 4.858 1.00 0.54 N ATOM 625 CA THR A 58 3.779 12.031 5.836 1.00 0.56 C ATOM 626 C THR A 58 4.446 13.349 5.417 1.00 0.66 C ATOM 627 O THR A 58 4.045 14.413 5.879 1.00 1.15 O ATOM 628 CB THR A 58 4.827 10.946 6.156 1.00 0.65 C ATOM 629 OG1 THR A 58 4.161 9.762 6.629 1.00 1.43 O ATOM 630 CG2 THR A 58 5.817 11.422 7.209 1.00 1.12 C ATOM 0 H THR A 58 1.900 11.301 5.278 1.00 0.54 H new ATOM 0 HA THR A 58 3.224 12.251 6.748 1.00 0.56 H new ATOM 0 HB THR A 58 5.380 10.729 5.242 1.00 0.65 H new ATOM 0 HG1 THR A 58 4.469 8.986 6.116 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.541 10.633 7.411 1.00 1.12 H new ATOM 0 HG22 THR A 58 6.337 12.308 6.845 1.00 1.12 H new ATOM 0 HG23 THR A 58 5.282 11.667 8.127 1.00 1.12 H new ATOM 638 N LYS A 59 5.452 13.285 4.551 1.00 0.57 N ATOM 639 CA LYS A 59 6.073 14.494 4.022 1.00 0.58 C ATOM 640 C LYS A 59 5.093 15.244 3.124 1.00 0.48 C ATOM 641 O LYS A 59 5.104 16.470 3.026 1.00 0.54 O ATOM 642 CB LYS A 59 7.331 14.159 3.233 1.00 0.69 C ATOM 643 CG LYS A 59 8.587 14.079 4.079 1.00 1.37 C ATOM 644 CD LYS A 59 9.807 13.956 3.191 1.00 1.96 C ATOM 645 CE LYS A 59 11.092 14.108 3.977 1.00 2.58 C ATOM 646 NZ LYS A 59 11.190 15.451 4.603 1.00 3.59 N ATOM 0 H LYS A 59 5.853 12.414 4.202 1.00 0.57 H new ATOM 0 HA LYS A 59 6.347 15.127 4.866 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.186 13.205 2.725 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.474 14.913 2.459 1.00 0.69 H new ATOM 0 HG2 LYS A 59 8.671 14.968 4.704 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.529 13.222 4.750 1.00 1.37 H new ATOM 0 HD2 LYS A 59 9.798 12.986 2.693 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.766 14.716 2.410 1.00 1.96 H new ATOM 0 HE2 LYS A 59 11.140 13.341 4.750 1.00 2.58 H new ATOM 0 HE3 LYS A 59 11.945 13.950 3.317 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 12.185 15.661 4.821 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 10.821 16.168 3.946 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 10.633 15.466 5.481 1.00 3.59 H new ATOM 660 N PHE A 60 4.273 14.446 2.427 1.00 0.40 N ATOM 661 CA PHE A 60 3.465 14.907 1.298 1.00 0.35 C ATOM 662 C PHE A 60 2.505 16.024 1.673 1.00 0.36 C ATOM 663 O PHE A 60 2.029 16.773 0.817 1.00 0.40 O ATOM 664 CB PHE A 60 2.699 13.730 0.693 1.00 0.37 C ATOM 665 CG PHE A 60 2.192 13.993 -0.701 1.00 0.76 C ATOM 666 CD1 PHE A 60 3.058 14.418 -1.705 1.00 1.62 C ATOM 667 CD2 PHE A 60 0.852 13.803 -1.015 1.00 1.40 C ATOM 668 CE1 PHE A 60 2.592 14.646 -2.988 1.00 2.01 C ATOM 669 CE2 PHE A 60 0.387 14.031 -2.295 1.00 1.72 C ATOM 670 CZ PHE A 60 1.257 14.452 -3.281 1.00 1.72 C ATOM 0 H PHE A 60 4.153 13.455 2.635 1.00 0.40 H new ATOM 0 HA PHE A 60 4.152 15.321 0.560 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.349 12.855 0.675 1.00 0.37 H new ATOM 0 HB3 PHE A 60 1.855 13.487 1.338 1.00 0.37 H new ATOM 0 HD1 PHE A 60 4.103 14.571 -1.480 1.00 1.62 H new ATOM 0 HD2 PHE A 60 0.166 13.473 -0.249 1.00 1.40 H new ATOM 0 HE1 PHE A 60 3.272 14.975 -3.759 1.00 2.01 H new ATOM 0 HE2 PHE A 60 -0.657 13.880 -2.525 1.00 1.72 H new ATOM 0 HZ PHE A 60 0.893 14.630 -4.282 1.00 1.72 H new ATOM 680 N LEU A 61 2.202 16.051 2.977 1.00 0.38 N ATOM 681 CA LEU A 61 1.184 16.908 3.578 1.00 0.44 C ATOM 682 C LEU A 61 1.353 18.357 3.166 1.00 0.47 C ATOM 683 O LEU A 61 0.377 19.094 3.053 1.00 0.60 O ATOM 684 CB LEU A 61 1.260 16.780 5.108 1.00 0.50 C ATOM 685 CG LEU A 61 1.102 15.356 5.657 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.151 15.363 7.177 1.00 0.72 C ATOM 687 CD2 LEU A 61 -0.198 14.727 5.171 1.00 0.61 C ATOM 0 H LEU A 61 2.675 15.458 3.659 1.00 0.38 H new ATOM 0 HA LEU A 61 0.206 16.583 3.223 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.219 17.176 5.442 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.486 17.409 5.547 1.00 0.50 H new ATOM 0 HG LEU A 61 1.932 14.755 5.284 1.00 0.56 H new ATOM 0 HD11 LEU A 61 1.037 14.345 7.549 1.00 0.72 H new ATOM 0 HD12 LEU A 61 2.108 15.766 7.508 1.00 0.72 H new ATOM 0 HD13 LEU A 61 0.343 15.983 7.564 1.00 0.72 H new ATOM 0 HD21 LEU A 61 -0.287 13.718 5.574 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -1.042 15.328 5.509 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.197 14.684 4.082 1.00 0.61 H new ATOM 699 N GLU A 62 2.628 18.737 2.976 1.00 0.46 N ATOM 700 CA GLU A 62 3.036 20.107 2.667 1.00 0.55 C ATOM 701 C GLU A 62 2.661 20.494 1.248 1.00 0.53 C ATOM 702 O GLU A 62 2.346 21.647 0.965 1.00 0.72 O ATOM 703 CB GLU A 62 4.558 20.228 2.778 1.00 0.68 C ATOM 704 CG GLU A 62 5.149 19.727 4.081 1.00 0.99 C ATOM 705 CD GLU A 62 5.111 20.764 5.188 1.00 1.22 C ATOM 706 OE1 GLU A 62 5.330 21.963 4.898 1.00 1.60 O ATOM 707 OE2 GLU A 62 4.922 20.378 6.362 1.00 1.62 O ATOM 0 H GLU A 62 3.412 18.087 3.035 1.00 0.46 H new ATOM 0 HA GLU A 62 2.527 20.762 3.374 1.00 0.55 H new ATOM 0 HB2 GLU A 62 5.012 19.676 1.955 1.00 0.68 H new ATOM 0 HB3 GLU A 62 4.834 21.275 2.650 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.604 18.840 4.403 1.00 0.99 H new ATOM 0 HG3 GLU A 62 6.182 19.422 3.912 1.00 0.99 H new ATOM 714 N GLU A 63 2.754 19.519 0.355 1.00 0.42 N ATOM 715 CA GLU A 63 2.771 19.781 -1.078 1.00 0.48 C ATOM 716 C GLU A 63 1.430 19.459 -1.732 1.00 0.46 C ATOM 717 O GLU A 63 1.116 19.988 -2.802 1.00 0.66 O ATOM 718 CB GLU A 63 3.881 18.940 -1.715 1.00 0.59 C ATOM 719 CG GLU A 63 4.560 19.617 -2.896 1.00 1.05 C ATOM 720 CD GLU A 63 5.266 20.896 -2.493 1.00 1.31 C ATOM 721 OE1 GLU A 63 6.421 20.821 -2.022 1.00 1.83 O ATOM 722 OE2 GLU A 63 4.665 21.982 -2.632 1.00 2.03 O ATOM 0 H GLU A 63 2.819 18.531 0.600 1.00 0.42 H new ATOM 0 HA GLU A 63 2.958 20.843 -1.235 1.00 0.48 H new ATOM 0 HB2 GLU A 63 4.631 18.711 -0.958 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.461 17.990 -2.045 1.00 0.59 H new ATOM 0 HG2 GLU A 63 5.281 18.931 -3.341 1.00 1.05 H new ATOM 0 HG3 GLU A 63 3.817 19.840 -3.662 1.00 1.05 H new ATOM 729 N HIS A 64 0.654 18.575 -1.093 1.00 0.33 N ATOM 730 CA HIS A 64 -0.651 18.166 -1.616 1.00 0.32 C ATOM 731 C HIS A 64 -1.637 19.331 -1.571 1.00 0.42 C ATOM 732 O HIS A 64 -1.904 19.883 -0.501 1.00 0.52 O ATOM 733 CB HIS A 64 -1.193 16.968 -0.832 1.00 0.38 C ATOM 734 CG HIS A 64 -2.482 16.328 -1.325 1.00 0.36 C ATOM 735 ND1 HIS A 64 -3.664 16.287 -0.605 1.00 0.44 N ATOM 736 CD2 HIS A 64 -2.704 15.674 -2.517 1.00 0.34 C ATOM 737 CE1 HIS A 64 -4.578 15.619 -1.344 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.022 15.243 -2.503 1.00 0.36 N ATOM 0 H HIS A 64 0.910 18.130 -0.212 1.00 0.33 H new ATOM 0 HA HIS A 64 -0.525 17.865 -2.656 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.421 16.199 -0.817 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.348 17.284 0.200 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -1.988 15.525 -3.311 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -5.597 15.420 -1.046 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -4.489 14.727 -3.249 1.00 0.36 H new ATOM 746 N PRO A 65 -2.191 19.712 -2.742 1.00 0.51 N ATOM 747 CA PRO A 65 -2.997 20.935 -2.897 1.00 0.73 C ATOM 748 C PRO A 65 -4.250 20.981 -2.018 1.00 0.90 C ATOM 749 O PRO A 65 -4.451 21.930 -1.258 1.00 1.46 O ATOM 750 CB PRO A 65 -3.402 20.910 -4.377 1.00 0.96 C ATOM 751 CG PRO A 65 -2.402 20.027 -5.034 1.00 0.81 C ATOM 752 CD PRO A 65 -2.068 18.981 -4.017 1.00 0.55 C ATOM 0 HA PRO A 65 -2.424 21.810 -2.591 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -4.413 20.523 -4.503 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -3.388 21.911 -4.807 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -2.809 19.578 -5.940 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -1.515 20.588 -5.327 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.754 18.136 -4.066 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.063 18.584 -4.160 1.00 0.55 H new ATOM 760 N GLY A 66 -5.080 19.951 -2.109 1.00 1.08 N ATOM 761 CA GLY A 66 -6.410 20.034 -1.539 1.00 1.38 C ATOM 762 C GLY A 66 -6.588 19.269 -0.248 1.00 1.38 C ATOM 763 O GLY A 66 -7.423 18.371 -0.176 1.00 2.03 O ATOM 0 H GLY A 66 -4.859 19.065 -2.564 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -6.651 21.082 -1.361 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -7.128 19.661 -2.269 1.00 1.38 H new ATOM 767 N GLY A 67 -5.822 19.616 0.776 1.00 1.25 N ATOM 768 CA GLY A 67 -6.071 19.037 2.076 1.00 1.70 C ATOM 769 C GLY A 67 -4.827 18.809 2.906 1.00 1.24 C ATOM 770 O GLY A 67 -4.389 17.676 3.072 1.00 1.66 O ATOM 0 H GLY A 67 -5.046 20.277 0.731 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -6.747 19.690 2.628 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -6.585 18.085 1.944 1.00 1.70 H new ATOM 774 N GLU A 68 -4.269 19.889 3.431 1.00 1.38 N ATOM 775 CA GLU A 68 -3.223 19.795 4.444 1.00 1.18 C ATOM 776 C GLU A 68 -3.828 19.264 5.737 1.00 0.94 C ATOM 777 O GLU A 68 -3.274 18.400 6.413 1.00 0.98 O ATOM 778 CB GLU A 68 -2.615 21.173 4.694 1.00 1.50 C ATOM 779 CG GLU A 68 -1.641 21.200 5.865 1.00 1.48 C ATOM 780 CD GLU A 68 -1.375 22.602 6.363 1.00 2.09 C ATOM 781 OE1 GLU A 68 -2.203 23.123 7.145 1.00 2.25 O ATOM 782 OE2 GLU A 68 -0.344 23.192 5.973 1.00 2.88 O ATOM 0 H GLU A 68 -4.522 20.843 3.174 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.441 19.120 4.096 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -2.098 21.503 3.793 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.417 21.887 4.881 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -2.041 20.598 6.681 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.700 20.741 5.562 1.00 1.48 H new ATOM 789 N GLU A 69 -4.987 19.818 6.063 1.00 0.91 N ATOM 790 CA GLU A 69 -5.689 19.504 7.300 1.00 0.84 C ATOM 791 C GLU A 69 -6.719 18.401 7.085 1.00 0.75 C ATOM 792 O GLU A 69 -6.856 17.493 7.901 1.00 0.78 O ATOM 793 CB GLU A 69 -6.367 20.785 7.813 1.00 0.97 C ATOM 794 CG GLU A 69 -7.222 20.602 9.058 1.00 1.64 C ATOM 795 CD GLU A 69 -6.405 20.288 10.291 1.00 1.97 C ATOM 796 OE1 GLU A 69 -5.630 21.159 10.738 1.00 2.63 O ATOM 797 OE2 GLU A 69 -6.527 19.160 10.812 1.00 2.27 O ATOM 0 H GLU A 69 -5.468 20.499 5.476 1.00 0.91 H new ATOM 0 HA GLU A 69 -4.975 19.138 8.038 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -5.597 21.527 8.025 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -6.991 21.192 7.018 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -7.800 21.510 9.233 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -7.937 19.797 8.887 1.00 1.64 H new ATOM 804 N VAL A 70 -7.431 18.467 5.969 1.00 0.79 N ATOM 805 CA VAL A 70 -8.611 17.628 5.777 1.00 0.86 C ATOM 806 C VAL A 70 -8.289 16.256 5.195 1.00 0.82 C ATOM 807 O VAL A 70 -9.196 15.467 4.941 1.00 1.01 O ATOM 808 CB VAL A 70 -9.667 18.329 4.902 1.00 1.09 C ATOM 809 CG1 VAL A 70 -10.159 19.589 5.595 1.00 1.96 C ATOM 810 CG2 VAL A 70 -9.116 18.651 3.521 1.00 1.41 C ATOM 0 H VAL A 70 -7.217 19.086 5.187 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.018 17.470 6.776 1.00 0.86 H new ATOM 0 HB VAL A 70 -10.508 17.649 4.767 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -10.906 20.080 4.971 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -10.604 19.326 6.555 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -9.320 20.266 5.758 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -9.886 19.145 2.928 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -8.254 19.311 3.618 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -8.813 17.728 3.026 1.00 1.41 H new ATOM 820 N LEU A 71 -7.008 15.960 4.993 1.00 0.72 N ATOM 821 CA LEU A 71 -6.616 14.621 4.562 1.00 0.74 C ATOM 822 C LEU A 71 -6.666 13.683 5.759 1.00 0.70 C ATOM 823 O LEU A 71 -6.897 12.483 5.658 1.00 0.77 O ATOM 824 CB LEU A 71 -5.238 14.648 3.848 1.00 0.84 C ATOM 825 CG LEU A 71 -3.938 14.484 4.662 1.00 1.10 C ATOM 826 CD1 LEU A 71 -3.857 15.474 5.805 1.00 1.62 C ATOM 827 CD2 LEU A 71 -3.755 13.048 5.147 1.00 1.69 C ATOM 0 H LEU A 71 -6.236 16.615 5.118 1.00 0.72 H new ATOM 0 HA LEU A 71 -7.317 14.241 3.819 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -5.249 13.860 3.095 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -5.168 15.597 3.316 1.00 0.84 H new ATOM 0 HG LEU A 71 -3.110 14.707 3.989 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -2.926 15.323 6.352 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -3.885 16.489 5.410 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -4.701 15.323 6.478 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -2.829 12.972 5.716 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -4.596 12.769 5.782 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -3.710 12.377 4.289 1.00 1.69 H new ATOM 839 N ARG A 72 -6.409 14.325 6.914 1.00 0.70 N ATOM 840 CA ARG A 72 -6.268 13.672 8.220 1.00 0.78 C ATOM 841 C ARG A 72 -7.418 12.725 8.532 1.00 0.92 C ATOM 842 O ARG A 72 -7.217 11.653 9.091 1.00 1.03 O ATOM 843 CB ARG A 72 -6.144 14.737 9.314 1.00 0.77 C ATOM 844 CG ARG A 72 -4.791 15.429 9.318 1.00 1.42 C ATOM 845 CD ARG A 72 -4.700 16.500 10.395 1.00 1.49 C ATOM 846 NE ARG A 72 -3.330 16.983 10.567 1.00 2.11 N ATOM 847 CZ ARG A 72 -3.010 18.096 11.224 1.00 2.48 C ATOM 848 NH1 ARG A 72 -3.959 18.916 11.647 1.00 2.24 N ATOM 849 NH2 ARG A 72 -1.732 18.405 11.427 1.00 3.47 N ATOM 0 H ARG A 72 -6.292 15.337 6.961 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.364 13.064 8.186 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -6.927 15.483 9.178 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -6.312 14.273 10.286 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -4.006 14.689 9.476 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.612 15.880 8.342 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -5.350 17.335 10.133 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -5.065 16.097 11.340 1.00 1.49 H new ATOM 0 HE ARG A 72 -2.574 16.434 10.159 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -4.939 18.696 11.470 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -3.710 19.768 12.150 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -0.997 17.789 11.079 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -1.487 19.258 11.930 1.00 3.47 H new ATOM 863 N GLU A 73 -8.626 13.172 8.176 1.00 1.13 N ATOM 864 CA GLU A 73 -9.872 12.440 8.422 1.00 1.55 C ATOM 865 C GLU A 73 -9.894 11.111 7.685 1.00 1.28 C ATOM 866 O GLU A 73 -10.520 10.149 8.124 1.00 1.60 O ATOM 867 CB GLU A 73 -11.052 13.284 7.942 1.00 1.97 C ATOM 868 CG GLU A 73 -11.213 14.594 8.683 1.00 2.63 C ATOM 869 CD GLU A 73 -11.944 14.429 10.000 1.00 3.18 C ATOM 870 OE1 GLU A 73 -11.294 14.079 11.009 1.00 3.55 O ATOM 871 OE2 GLU A 73 -13.179 14.628 10.025 1.00 3.65 O ATOM 0 H GLU A 73 -8.768 14.064 7.703 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.942 12.244 9.492 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.928 13.492 6.879 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -11.968 12.703 8.048 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -10.230 15.026 8.868 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -11.758 15.299 8.055 1.00 2.63 H new ATOM 878 N GLN A 74 -9.226 11.098 6.541 1.00 0.77 N ATOM 879 CA GLN A 74 -9.310 10.005 5.590 1.00 0.62 C ATOM 880 C GLN A 74 -8.137 9.048 5.761 1.00 0.56 C ATOM 881 O GLN A 74 -8.104 7.973 5.164 1.00 0.64 O ATOM 882 CB GLN A 74 -9.321 10.602 4.182 1.00 0.63 C ATOM 883 CG GLN A 74 -10.362 11.708 4.008 1.00 0.76 C ATOM 884 CD GLN A 74 -11.791 11.217 4.169 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.044 9.974 3.782 1.00 1.57 O flip ATOM 886 NE2 GLN A 74 -12.661 11.958 4.629 1.00 1.68 N flip ATOM 0 H GLN A 74 -8.606 11.853 6.246 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.222 9.432 5.760 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.333 11.002 3.956 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.517 9.810 3.459 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.171 12.495 4.737 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -10.247 12.154 3.020 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.423 12.908 4.915 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.619 11.622 4.724 1.00 1.68 H new ATOM 895 N ALA A 75 -7.173 9.462 6.573 1.00 0.55 N ATOM 896 CA ALA A 75 -6.008 8.638 6.876 1.00 0.58 C ATOM 897 C ALA A 75 -6.331 7.647 7.985 1.00 0.52 C ATOM 898 O ALA A 75 -6.904 8.017 9.009 1.00 0.70 O ATOM 899 CB ALA A 75 -4.827 9.515 7.276 1.00 0.70 C ATOM 0 H ALA A 75 -7.175 10.370 7.037 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.738 8.079 5.980 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.965 8.886 7.499 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.581 10.190 6.456 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -5.089 10.098 8.159 1.00 0.70 H new ATOM 905 N GLY A 76 -5.955 6.390 7.789 1.00 0.49 N ATOM 906 CA GLY A 76 -6.287 5.353 8.749 1.00 0.58 C ATOM 907 C GLY A 76 -6.852 4.121 8.084 1.00 0.48 C ATOM 908 O GLY A 76 -6.780 3.021 8.626 1.00 0.72 O ATOM 0 H GLY A 76 -5.424 6.068 6.980 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -5.394 5.083 9.313 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -7.011 5.742 9.465 1.00 0.58 H new ATOM 912 N GLY A 77 -7.426 4.315 6.910 1.00 0.42 N ATOM 913 CA GLY A 77 -7.958 3.213 6.135 1.00 0.52 C ATOM 914 C GLY A 77 -8.349 3.675 4.753 1.00 0.44 C ATOM 915 O GLY A 77 -7.816 4.681 4.279 1.00 0.78 O ATOM 0 H GLY A 77 -7.535 5.230 6.473 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.214 2.420 6.062 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.825 2.790 6.642 1.00 0.52 H new ATOM 919 N ASP A 78 -9.269 2.967 4.107 1.00 0.55 N ATOM 920 CA ASP A 78 -9.678 3.330 2.754 1.00 0.72 C ATOM 921 C ASP A 78 -10.371 4.687 2.734 1.00 0.67 C ATOM 922 O ASP A 78 -11.390 4.882 3.399 1.00 1.04 O ATOM 923 CB ASP A 78 -10.588 2.276 2.111 1.00 1.14 C ATOM 924 CG ASP A 78 -9.864 0.985 1.765 1.00 1.82 C ATOM 925 OD1 ASP A 78 -9.810 0.073 2.623 1.00 2.28 O ATOM 926 OD2 ASP A 78 -9.330 0.889 0.639 1.00 2.59 O ATOM 0 H ASP A 78 -9.741 2.149 4.492 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.763 3.384 2.164 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -11.410 2.052 2.791 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -11.029 2.691 1.205 1.00 1.14 H new ATOM 931 N ALA A 79 -9.826 5.619 1.973 1.00 0.54 N ATOM 932 CA ALA A 79 -10.474 6.905 1.748 1.00 0.58 C ATOM 933 C ALA A 79 -11.219 6.884 0.415 1.00 0.56 C ATOM 934 O ALA A 79 -11.636 7.920 -0.104 1.00 0.67 O ATOM 935 CB ALA A 79 -9.441 8.021 1.764 1.00 0.73 C ATOM 0 H ALA A 79 -8.931 5.511 1.496 1.00 0.54 H new ATOM 0 HA ALA A 79 -11.192 7.088 2.547 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.936 8.977 1.595 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.939 8.038 2.731 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.707 7.848 0.977 1.00 0.73 H new ATOM 941 N THR A 80 -11.422 5.683 -0.110 1.00 0.54 N ATOM 942 CA THR A 80 -11.881 5.501 -1.481 1.00 0.60 C ATOM 943 C THR A 80 -13.351 5.887 -1.693 1.00 0.65 C ATOM 944 O THR A 80 -13.841 5.819 -2.815 1.00 0.84 O ATOM 945 CB THR A 80 -11.650 4.043 -1.949 1.00 0.66 C ATOM 946 OG1 THR A 80 -12.015 3.888 -3.325 1.00 0.84 O ATOM 947 CG2 THR A 80 -12.439 3.058 -1.099 1.00 0.70 C ATOM 0 H THR A 80 -11.274 4.812 0.399 1.00 0.54 H new ATOM 0 HA THR A 80 -11.284 6.184 -2.086 1.00 0.60 H new ATOM 0 HB THR A 80 -10.587 3.829 -1.834 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.677 4.569 -3.566 1.00 0.84 H new ATOM 0 HG21 THR A 80 -12.255 2.044 -1.453 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.125 3.142 -0.059 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.503 3.282 -1.176 1.00 0.70 H new ATOM 955 N GLU A 81 -14.052 6.307 -0.645 1.00 0.65 N ATOM 956 CA GLU A 81 -15.449 6.714 -0.799 1.00 0.79 C ATOM 957 C GLU A 81 -15.550 7.936 -1.706 1.00 0.85 C ATOM 958 O GLU A 81 -16.177 7.909 -2.766 1.00 0.98 O ATOM 959 CB GLU A 81 -16.100 7.016 0.553 1.00 0.91 C ATOM 960 CG GLU A 81 -17.497 7.614 0.408 1.00 1.54 C ATOM 961 CD GLU A 81 -18.287 7.617 1.697 1.00 1.82 C ATOM 962 OE1 GLU A 81 -18.028 8.493 2.546 1.00 2.27 O ATOM 963 OE2 GLU A 81 -19.146 6.733 1.874 1.00 2.27 O ATOM 0 H GLU A 81 -13.687 6.375 0.305 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.985 5.881 -1.254 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -16.160 6.098 1.137 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -15.468 7.707 1.111 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -17.410 8.637 0.042 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -18.048 7.052 -0.346 1.00 1.54 H new ATOM 970 N ASN A 82 -14.893 9.009 -1.256 1.00 0.82 N ATOM 971 CA ASN A 82 -14.915 10.308 -1.927 1.00 0.90 C ATOM 972 C ASN A 82 -14.416 10.177 -3.355 1.00 0.94 C ATOM 973 O ASN A 82 -14.863 10.872 -4.260 1.00 1.09 O ATOM 974 CB ASN A 82 -14.036 11.304 -1.165 1.00 0.93 C ATOM 975 CG ASN A 82 -14.349 11.354 0.319 1.00 1.70 C ATOM 976 OD1 ASN A 82 -13.780 10.599 1.104 1.00 2.41 O ATOM 977 ND2 ASN A 82 -15.258 12.243 0.711 1.00 2.40 N ATOM 0 H ASN A 82 -14.326 8.998 -0.408 1.00 0.82 H new ATOM 0 HA ASN A 82 -15.943 10.671 -1.945 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -12.989 11.035 -1.301 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -14.168 12.298 -1.593 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -15.507 12.317 1.697 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -15.706 12.851 0.025 1.00 2.40 H new ATOM 984 N PHE A 83 -13.458 9.259 -3.498 1.00 0.85 N ATOM 985 CA PHE A 83 -12.768 8.961 -4.750 1.00 0.89 C ATOM 986 C PHE A 83 -13.731 8.463 -5.825 1.00 1.02 C ATOM 987 O PHE A 83 -13.563 8.758 -7.004 1.00 1.17 O ATOM 988 CB PHE A 83 -11.704 7.892 -4.461 1.00 0.81 C ATOM 989 CG PHE A 83 -10.883 7.481 -5.653 1.00 0.86 C ATOM 990 CD1 PHE A 83 -9.736 8.174 -5.991 1.00 0.97 C ATOM 991 CD2 PHE A 83 -11.256 6.391 -6.426 1.00 1.20 C ATOM 992 CE1 PHE A 83 -8.975 7.794 -7.077 1.00 1.06 C ATOM 993 CE2 PHE A 83 -10.500 6.005 -7.517 1.00 1.33 C ATOM 994 CZ PHE A 83 -9.358 6.707 -7.843 1.00 1.13 C ATOM 0 H PHE A 83 -13.132 8.686 -2.720 1.00 0.85 H new ATOM 0 HA PHE A 83 -12.310 9.874 -5.131 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -11.034 8.266 -3.687 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -12.197 7.009 -4.055 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -9.432 9.024 -5.398 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -12.148 5.837 -6.172 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -8.081 8.345 -7.329 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -10.802 5.156 -8.112 1.00 1.33 H new ATOM 0 HZ PHE A 83 -8.764 6.409 -8.694 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.715 7.679 -5.387 1.00 1.00 N ATOM 1005 CA GLU A 84 -15.647 7.001 -6.284 1.00 1.14 C ATOM 1006 C GLU A 84 -16.810 7.901 -6.676 1.00 1.24 C ATOM 1007 O GLU A 84 -17.426 7.729 -7.727 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.198 5.753 -5.594 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.144 4.714 -5.250 1.00 1.33 C ATOM 1010 CD GLU A 84 -14.478 4.104 -6.467 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -15.087 4.118 -7.560 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -13.356 3.570 -6.328 1.00 2.19 O ATOM 0 H GLU A 84 -14.888 7.496 -4.398 1.00 1.00 H new ATOM 0 HA GLU A 84 -15.102 6.733 -7.189 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.708 6.053 -4.679 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -16.946 5.295 -6.241 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -14.382 5.175 -4.621 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -15.605 3.921 -4.662 1.00 1.33 H new ATOM 1019 N ASP A 85 -17.122 8.840 -5.789 1.00 1.18 N ATOM 1020 CA ASP A 85 -18.284 9.710 -5.949 1.00 1.34 C ATOM 1021 C ASP A 85 -17.893 10.990 -6.684 1.00 1.45 C ATOM 1022 O ASP A 85 -18.624 11.471 -7.553 1.00 1.90 O ATOM 1023 CB ASP A 85 -18.872 10.040 -4.574 1.00 1.35 C ATOM 1024 CG ASP A 85 -20.283 10.588 -4.656 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -21.234 9.786 -4.729 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -20.443 11.830 -4.672 1.00 1.81 O ATOM 0 H ASP A 85 -16.581 9.020 -4.943 1.00 1.18 H new ATOM 0 HA ASP A 85 -19.038 9.193 -6.543 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -18.871 9.141 -3.958 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -18.232 10.768 -4.075 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.743 11.538 -6.315 1.00 1.34 N ATOM 1032 CA VAL A 86 -16.155 12.679 -7.006 1.00 1.50 C ATOM 1033 C VAL A 86 -14.746 12.300 -7.428 1.00 1.26 C ATOM 1034 O VAL A 86 -13.813 12.350 -6.625 1.00 1.87 O ATOM 1035 CB VAL A 86 -16.123 13.948 -6.114 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -15.449 15.115 -6.829 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -17.532 14.334 -5.690 1.00 2.64 C ATOM 0 H VAL A 86 -16.190 11.203 -5.526 1.00 1.34 H new ATOM 0 HA VAL A 86 -16.768 12.920 -7.874 1.00 1.50 H new ATOM 0 HB VAL A 86 -15.536 13.715 -5.225 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -15.444 15.988 -6.176 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -14.424 14.844 -7.081 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -15.997 15.348 -7.742 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -17.492 15.226 -5.065 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -18.135 14.537 -6.575 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -17.979 13.515 -5.126 1.00 2.64 H new ATOM 1047 N GLY A 87 -14.613 11.896 -8.686 1.00 1.38 N ATOM 1048 CA GLY A 87 -13.363 11.344 -9.177 1.00 1.82 C ATOM 1049 C GLY A 87 -12.165 12.244 -8.946 1.00 1.46 C ATOM 1050 O GLY A 87 -12.248 13.468 -9.104 1.00 2.23 O ATOM 0 H GLY A 87 -15.357 11.942 -9.382 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -13.184 10.385 -8.691 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -13.458 11.148 -10.245 1.00 1.82 H new ATOM 1054 N HIS A 88 -11.051 11.629 -8.568 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.802 12.348 -8.349 1.00 0.81 C ATOM 1056 C HIS A 88 -9.256 12.836 -9.695 1.00 0.89 C ATOM 1057 O HIS A 88 -9.715 12.386 -10.745 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.791 11.429 -7.633 1.00 0.89 C ATOM 1059 CG HIS A 88 -7.583 12.123 -7.065 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -6.438 12.393 -7.804 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.337 12.600 -5.805 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -5.558 13.003 -6.998 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.064 13.147 -5.808 1.00 0.48 N ATOM 0 H HIS A 88 -10.988 10.624 -8.405 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.977 13.216 -7.713 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -9.306 10.910 -6.824 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -8.455 10.668 -8.337 1.00 0.89 H new ATOM 0 HD2 HIS A 88 -8.012 12.558 -4.963 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -4.571 13.328 -7.294 1.00 0.98 H new ATOM 0 HE2 HIS A 88 -5.602 13.588 -5.013 1.00 0.48 H new ATOM 1071 N SER A 89 -8.263 13.713 -9.676 1.00 0.81 N ATOM 1072 CA SER A 89 -7.747 14.311 -10.903 1.00 1.00 C ATOM 1073 C SER A 89 -6.731 13.391 -11.606 1.00 1.00 C ATOM 1074 O SER A 89 -5.762 13.865 -12.209 1.00 1.43 O ATOM 1075 CB SER A 89 -7.133 15.660 -10.581 1.00 1.22 C ATOM 1076 OG SER A 89 -6.967 16.450 -11.746 1.00 1.06 O ATOM 0 H SER A 89 -7.797 14.028 -8.825 1.00 0.81 H new ATOM 0 HA SER A 89 -8.575 14.448 -11.598 1.00 1.00 H new ATOM 0 HB2 SER A 89 -7.768 16.189 -9.870 1.00 1.22 H new ATOM 0 HB3 SER A 89 -6.166 15.514 -10.099 1.00 1.22 H new ATOM 0 HG SER A 89 -6.499 15.928 -12.431 1.00 1.06 H new ATOM 1082 N THR A 90 -6.960 12.076 -11.517 1.00 1.14 N ATOM 1083 CA THR A 90 -6.125 11.066 -12.185 1.00 1.15 C ATOM 1084 C THR A 90 -4.721 10.917 -11.553 1.00 1.15 C ATOM 1085 O THR A 90 -4.016 9.936 -11.806 1.00 1.72 O ATOM 1086 CB THR A 90 -6.010 11.371 -13.700 1.00 1.27 C ATOM 1087 OG1 THR A 90 -7.322 11.497 -14.256 1.00 1.45 O ATOM 1088 CG2 THR A 90 -5.263 10.273 -14.446 1.00 1.49 C ATOM 0 H THR A 90 -7.731 11.679 -10.979 1.00 1.14 H new ATOM 0 HA THR A 90 -6.628 10.109 -12.045 1.00 1.15 H new ATOM 0 HB THR A 90 -5.449 12.299 -13.811 1.00 1.27 H new ATOM 0 HG1 THR A 90 -7.254 11.692 -15.214 1.00 1.45 H new ATOM 0 HG21 THR A 90 -5.205 10.527 -15.504 1.00 1.49 H new ATOM 0 HG22 THR A 90 -4.256 10.178 -14.040 1.00 1.49 H new ATOM 0 HG23 THR A 90 -5.793 9.328 -14.328 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.324 11.870 -10.722 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.032 11.804 -10.038 1.00 0.97 C ATOM 1098 C ASP A 91 -2.964 10.562 -9.164 1.00 0.89 C ATOM 1099 O ASP A 91 -2.084 9.716 -9.334 1.00 0.88 O ATOM 1100 CB ASP A 91 -2.830 13.047 -9.186 1.00 1.12 C ATOM 1101 CG ASP A 91 -3.366 14.281 -9.863 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -2.659 14.858 -10.711 1.00 1.90 O ATOM 1103 OD2 ASP A 91 -4.523 14.642 -9.572 1.00 2.46 O ATOM 0 H ASP A 91 -4.875 12.700 -10.502 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.241 11.753 -10.787 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.327 12.914 -8.225 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -1.768 13.178 -8.980 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.916 10.451 -8.240 1.00 0.90 N ATOM 1109 CA ALA A 92 -4.049 9.270 -7.391 1.00 0.90 C ATOM 1110 C ALA A 92 -4.647 8.117 -8.187 1.00 0.82 C ATOM 1111 O ALA A 92 -5.750 7.645 -7.911 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.891 9.583 -6.168 1.00 0.97 C ATOM 0 H ALA A 92 -4.613 11.173 -8.060 1.00 0.90 H new ATOM 0 HA ALA A 92 -3.059 8.972 -7.047 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.978 8.691 -5.548 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.417 10.379 -5.594 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.884 9.905 -6.482 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.902 7.704 -9.193 1.00 0.75 N ATOM 1119 CA ARG A 93 -4.296 6.688 -10.126 1.00 0.73 C ATOM 1120 C ARG A 93 -3.066 6.298 -10.935 1.00 0.69 C ATOM 1121 O ARG A 93 -2.789 5.123 -11.173 1.00 0.81 O ATOM 1122 CB ARG A 93 -5.377 7.253 -11.036 1.00 0.82 C ATOM 1123 CG ARG A 93 -5.798 6.307 -12.127 1.00 1.64 C ATOM 1124 CD ARG A 93 -6.912 6.907 -12.968 1.00 1.70 C ATOM 1125 NE ARG A 93 -7.438 5.970 -13.960 1.00 2.71 N ATOM 1126 CZ ARG A 93 -8.104 6.340 -15.059 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -8.267 7.628 -15.345 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -8.613 5.419 -15.870 1.00 4.15 N ATOM 0 H ARG A 93 -2.975 8.085 -9.383 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.692 5.810 -9.616 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -6.248 7.512 -10.434 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -5.015 8.177 -11.487 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -4.943 6.075 -12.762 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -6.134 5.367 -11.689 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -7.722 7.230 -12.314 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -6.539 7.796 -13.476 1.00 1.70 H new ATOM 0 HE ARG A 93 -7.288 4.973 -13.804 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -7.883 8.341 -14.725 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -8.776 7.903 -16.185 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -8.496 4.429 -15.655 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -9.121 5.702 -16.708 1.00 4.15 H new ATOM 1142 N GLU A 94 -2.321 7.331 -11.332 1.00 0.60 N ATOM 1143 CA GLU A 94 -1.122 7.182 -12.145 1.00 0.60 C ATOM 1144 C GLU A 94 0.127 7.624 -11.388 1.00 0.58 C ATOM 1145 O GLU A 94 1.096 6.882 -11.262 1.00 0.74 O ATOM 1146 CB GLU A 94 -1.264 8.009 -13.422 1.00 0.68 C ATOM 1147 CG GLU A 94 -2.032 7.297 -14.516 1.00 1.19 C ATOM 1148 CD GLU A 94 -1.296 6.071 -15.017 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -1.349 5.029 -14.335 1.00 2.11 O ATOM 1150 OE2 GLU A 94 -0.679 6.142 -16.103 1.00 1.62 O ATOM 0 H GLU A 94 -2.538 8.299 -11.095 1.00 0.60 H new ATOM 0 HA GLU A 94 -1.011 6.126 -12.392 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -1.768 8.946 -13.185 1.00 0.68 H new ATOM 0 HB3 GLU A 94 -0.271 8.265 -13.793 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -3.012 7.004 -14.140 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -2.202 7.983 -15.346 1.00 1.19 H new ATOM 1157 N MET A 95 0.088 8.856 -10.899 1.00 0.48 N ATOM 1158 CA MET A 95 1.251 9.486 -10.278 1.00 0.49 C ATOM 1159 C MET A 95 1.510 8.903 -8.891 1.00 0.42 C ATOM 1160 O MET A 95 2.638 8.885 -8.409 1.00 0.50 O ATOM 1161 CB MET A 95 1.032 11.002 -10.180 1.00 0.53 C ATOM 1162 CG MET A 95 2.219 11.761 -9.602 1.00 0.65 C ATOM 1163 SD MET A 95 1.963 13.549 -9.589 1.00 1.09 S ATOM 1164 CE MET A 95 3.567 14.124 -9.031 1.00 1.75 C ATOM 0 H MET A 95 -0.744 9.446 -10.920 1.00 0.48 H new ATOM 0 HA MET A 95 2.124 9.288 -10.900 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.813 11.392 -11.174 1.00 0.53 H new ATOM 0 HB3 MET A 95 0.155 11.193 -9.562 1.00 0.53 H new ATOM 0 HG2 MET A 95 2.404 11.417 -8.584 1.00 0.65 H new ATOM 0 HG3 MET A 95 3.111 11.530 -10.184 1.00 0.65 H new ATOM 0 HE1 MET A 95 3.563 15.212 -8.973 1.00 1.75 H new ATOM 0 HE2 MET A 95 3.780 13.709 -8.046 1.00 1.75 H new ATOM 0 HE3 MET A 95 4.334 13.801 -9.734 1.00 1.75 H new ATOM 1174 N SER A 96 0.438 8.429 -8.267 1.00 0.34 N ATOM 1175 CA SER A 96 0.461 8.035 -6.865 1.00 0.31 C ATOM 1176 C SER A 96 1.131 6.679 -6.667 1.00 0.31 C ATOM 1177 O SER A 96 1.385 6.255 -5.543 1.00 0.33 O ATOM 1178 CB SER A 96 -0.967 8.024 -6.328 1.00 0.36 C ATOM 1179 OG SER A 96 -1.788 7.142 -7.071 1.00 1.13 O ATOM 0 H SER A 96 -0.469 8.308 -8.718 1.00 0.34 H new ATOM 0 HA SER A 96 1.055 8.760 -6.308 1.00 0.31 H new ATOM 0 HB2 SER A 96 -0.962 7.724 -5.280 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.381 9.031 -6.369 1.00 0.36 H new ATOM 0 HG SER A 96 -2.628 6.993 -6.589 1.00 1.13 H new ATOM 1185 N LYS A 97 1.367 5.997 -7.804 1.00 0.36 N ATOM 1186 CA LYS A 97 1.747 4.576 -7.856 1.00 0.43 C ATOM 1187 C LYS A 97 3.030 4.277 -7.092 1.00 0.41 C ATOM 1188 O LYS A 97 3.291 3.126 -6.744 1.00 0.48 O ATOM 1189 CB LYS A 97 1.912 4.117 -9.311 1.00 0.56 C ATOM 1190 CG LYS A 97 0.611 4.032 -10.101 1.00 0.83 C ATOM 1191 CD LYS A 97 0.752 3.121 -11.321 1.00 1.15 C ATOM 1192 CE LYS A 97 1.704 3.682 -12.379 1.00 1.56 C ATOM 1193 NZ LYS A 97 1.156 4.882 -13.066 1.00 2.15 N ATOM 0 H LYS A 97 1.297 6.427 -8.726 1.00 0.36 H new ATOM 0 HA LYS A 97 0.938 4.026 -7.375 1.00 0.43 H new ATOM 0 HB2 LYS A 97 2.587 4.804 -9.821 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.390 3.138 -9.317 1.00 0.56 H new ATOM 0 HG2 LYS A 97 -0.183 3.657 -9.456 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.315 5.030 -10.424 1.00 0.83 H new ATOM 0 HD2 LYS A 97 1.111 2.144 -10.998 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -0.230 2.968 -11.768 1.00 1.15 H new ATOM 0 HE2 LYS A 97 2.653 3.940 -11.908 1.00 1.56 H new ATOM 0 HE3 LYS A 97 1.915 2.909 -13.119 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 1.766 5.130 -13.871 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 0.196 4.677 -13.409 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 1.123 5.679 -12.399 1.00 2.15 H new ATOM 1207 N THR A 98 3.830 5.316 -6.879 1.00 0.40 N ATOM 1208 CA THR A 98 5.105 5.197 -6.182 1.00 0.46 C ATOM 1209 C THR A 98 4.941 5.422 -4.678 1.00 0.41 C ATOM 1210 O THR A 98 5.898 5.298 -3.917 1.00 0.48 O ATOM 1211 CB THR A 98 6.124 6.213 -6.735 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.487 7.489 -6.887 1.00 1.01 O ATOM 1213 CG2 THR A 98 6.690 5.760 -8.074 1.00 1.15 C ATOM 0 H THR A 98 3.613 6.264 -7.185 1.00 0.40 H new ATOM 0 HA THR A 98 5.471 4.184 -6.349 1.00 0.46 H new ATOM 0 HB THR A 98 6.951 6.288 -6.029 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.133 8.138 -7.237 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.405 6.499 -8.436 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.191 4.800 -7.951 1.00 1.15 H new ATOM 0 HG23 THR A 98 5.879 5.656 -8.795 1.00 1.15 H new ATOM 1221 N PHE A 99 3.727 5.774 -4.265 1.00 0.32 N ATOM 1222 CA PHE A 99 3.403 5.920 -2.850 1.00 0.32 C ATOM 1223 C PHE A 99 2.799 4.636 -2.318 1.00 0.30 C ATOM 1224 O PHE A 99 2.636 4.467 -1.110 1.00 0.31 O ATOM 1225 CB PHE A 99 2.414 7.070 -2.627 1.00 0.34 C ATOM 1226 CG PHE A 99 3.031 8.430 -2.739 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.702 8.987 -1.662 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.936 9.155 -3.914 1.00 0.77 C ATOM 1229 CE1 PHE A 99 4.269 10.242 -1.756 1.00 0.90 C ATOM 1230 CE2 PHE A 99 3.501 10.413 -4.015 1.00 0.81 C ATOM 1231 CZ PHE A 99 4.169 10.956 -2.933 1.00 0.47 C ATOM 0 H PHE A 99 2.947 5.964 -4.895 1.00 0.32 H new ATOM 0 HA PHE A 99 4.328 6.142 -2.317 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.606 6.987 -3.354 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.966 6.965 -1.639 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.782 8.433 -0.739 1.00 0.88 H new ATOM 0 HD2 PHE A 99 2.415 8.734 -4.761 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.790 10.665 -0.910 1.00 0.90 H new ATOM 0 HE2 PHE A 99 3.421 10.970 -4.937 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.612 11.938 -3.009 1.00 0.47 H new ATOM 1241 N ILE A 100 2.430 3.742 -3.232 1.00 0.32 N ATOM 1242 CA ILE A 100 1.803 2.493 -2.846 1.00 0.32 C ATOM 1243 C ILE A 100 2.834 1.554 -2.235 1.00 0.34 C ATOM 1244 O ILE A 100 3.488 0.800 -2.956 1.00 0.43 O ATOM 1245 CB ILE A 100 1.148 1.757 -4.031 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.410 2.735 -4.948 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.198 0.700 -3.500 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.243 2.069 -6.141 1.00 0.38 C ATOM 0 H ILE A 100 2.556 3.863 -4.237 1.00 0.32 H new ATOM 0 HA ILE A 100 1.027 2.757 -2.128 1.00 0.32 H new ATOM 0 HB ILE A 100 1.927 1.278 -4.624 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.353 3.257 -4.370 1.00 0.32 H new ATOM 0 HG13 ILE A 100 1.113 3.489 -5.302 1.00 0.32 H new ATOM 0 HG21 ILE A 100 -0.268 0.177 -4.335 1.00 0.42 H new ATOM 0 HG22 ILE A 100 0.752 -0.013 -2.889 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.573 1.175 -2.894 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.748 2.822 -6.747 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.518 1.571 -6.741 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.970 1.335 -5.795 1.00 0.38 H new ATOM 1260 N ILE A 101 2.973 1.595 -0.917 1.00 0.32 N ATOM 1261 CA ILE A 101 3.963 0.774 -0.230 1.00 0.35 C ATOM 1262 C ILE A 101 3.581 -0.709 -0.242 1.00 0.36 C ATOM 1263 O ILE A 101 4.429 -1.576 -0.026 1.00 0.43 O ATOM 1264 CB ILE A 101 4.192 1.251 1.219 1.00 0.36 C ATOM 1265 CG1 ILE A 101 2.862 1.443 1.951 1.00 0.33 C ATOM 1266 CG2 ILE A 101 4.997 2.544 1.222 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.013 1.966 3.365 1.00 0.38 C ATOM 0 H ILE A 101 2.414 2.187 -0.302 1.00 0.32 H new ATOM 0 HA ILE A 101 4.896 0.889 -0.781 1.00 0.35 H new ATOM 0 HB ILE A 101 4.756 0.483 1.749 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.241 2.135 1.382 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.333 0.490 1.980 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.153 2.873 2.249 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.962 2.373 0.745 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.452 3.313 0.674 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.028 2.076 3.819 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.606 1.264 3.951 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.513 2.934 3.343 1.00 0.38 H new ATOM 1279 N GLY A 102 2.309 -0.996 -0.490 1.00 0.33 N ATOM 1280 CA GLY A 102 1.873 -2.373 -0.621 1.00 0.39 C ATOM 1281 C GLY A 102 0.396 -2.522 -0.352 1.00 0.35 C ATOM 1282 O GLY A 102 -0.379 -1.608 -0.629 1.00 0.35 O ATOM 0 H GLY A 102 1.572 -0.300 -0.603 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.097 -2.731 -1.626 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.434 -2.999 0.073 1.00 0.39 H new ATOM 1286 N GLU A 103 0.001 -3.660 0.188 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.394 -3.901 0.524 1.00 0.42 C ATOM 1288 C GLU A 103 -1.510 -4.463 1.932 1.00 0.37 C ATOM 1289 O GLU A 103 -0.546 -4.437 2.697 1.00 0.39 O ATOM 1290 CB GLU A 103 -2.058 -4.840 -0.493 1.00 0.52 C ATOM 1291 CG GLU A 103 -2.296 -4.188 -1.845 1.00 0.74 C ATOM 1292 CD GLU A 103 -2.982 -5.103 -2.839 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -4.077 -5.612 -2.524 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -2.427 -5.322 -3.940 1.00 1.85 O ATOM 0 H GLU A 103 0.627 -4.436 0.405 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.920 -2.947 0.486 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -1.431 -5.721 -0.627 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -3.010 -5.185 -0.091 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -2.902 -3.293 -1.707 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -1.340 -3.865 -2.258 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.677 -4.972 2.275 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.921 -5.451 3.621 1.00 0.42 C ATOM 1303 C LEU A 104 -2.409 -6.879 3.783 1.00 0.42 C ATOM 1304 O LEU A 104 -1.987 -7.490 2.807 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.414 -5.380 3.933 1.00 0.51 C ATOM 1306 CG LEU A 104 -5.106 -4.071 3.535 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -6.572 -4.095 3.936 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -4.408 -2.879 4.165 1.00 1.33 C ATOM 0 H LEU A 104 -3.470 -5.064 1.641 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.382 -4.815 4.324 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.914 -6.205 3.425 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.552 -5.534 5.003 1.00 0.51 H new ATOM 0 HG LEU A 104 -5.044 -3.973 2.451 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -7.044 -3.157 3.645 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -7.073 -4.924 3.436 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -6.652 -4.221 5.016 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -4.916 -1.961 3.869 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -4.434 -2.974 5.251 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -3.372 -2.845 3.829 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.422 -7.401 5.005 1.00 0.48 N ATOM 1321 CA HIS A 105 -1.992 -8.782 5.258 1.00 0.53 C ATOM 1322 C HIS A 105 -2.793 -9.781 4.405 1.00 0.60 C ATOM 1323 O HIS A 105 -3.883 -9.465 3.940 1.00 0.64 O ATOM 1324 CB HIS A 105 -2.169 -9.113 6.743 1.00 0.68 C ATOM 1325 CG HIS A 105 -1.073 -9.957 7.311 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -1.297 -11.131 8.002 1.00 1.82 N ATOM 1327 CD2 HIS A 105 0.271 -9.784 7.289 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -0.138 -11.635 8.387 1.00 2.41 C ATOM 1329 NE2 HIS A 105 0.825 -10.838 7.966 1.00 2.37 N ATOM 0 H HIS A 105 -2.724 -6.895 5.837 1.00 0.48 H new ATOM 0 HA HIS A 105 -0.941 -8.867 4.983 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.228 -8.183 7.308 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -3.119 -9.629 6.879 1.00 0.68 H new ATOM 0 HD1 HIS A 105 -2.212 -11.544 8.186 1.00 1.82 H new ATOM 0 HD2 HIS A 105 0.805 -8.968 6.825 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -0.002 -12.546 8.951 1.00 2.41 H new ATOM 1338 N PRO A 106 -2.244 -10.994 4.166 1.00 0.74 N ATOM 1339 CA PRO A 106 -2.955 -12.098 3.496 1.00 1.00 C ATOM 1340 C PRO A 106 -4.402 -12.286 3.978 1.00 1.18 C ATOM 1341 O PRO A 106 -5.271 -12.710 3.225 1.00 1.67 O ATOM 1342 CB PRO A 106 -2.118 -13.339 3.862 1.00 1.17 C ATOM 1343 CG PRO A 106 -0.989 -12.856 4.715 1.00 1.02 C ATOM 1344 CD PRO A 106 -0.863 -11.386 4.461 1.00 0.79 C ATOM 0 HA PRO A 106 -3.044 -11.908 2.426 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -2.723 -14.070 4.398 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -1.743 -13.832 2.965 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -1.188 -13.052 5.769 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -0.064 -13.374 4.463 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -0.468 -10.857 5.328 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -0.194 -11.174 3.627 1.00 0.79 H new ATOM 1352 N ASP A 107 -4.623 -11.986 5.257 1.00 1.16 N ATOM 1353 CA ASP A 107 -5.920 -12.150 5.910 1.00 1.47 C ATOM 1354 C ASP A 107 -6.827 -10.984 5.574 1.00 1.22 C ATOM 1355 O ASP A 107 -8.047 -11.123 5.460 1.00 1.47 O ATOM 1356 CB ASP A 107 -5.723 -12.190 7.427 1.00 1.90 C ATOM 1357 CG ASP A 107 -4.613 -13.122 7.857 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -3.439 -12.695 7.866 1.00 3.31 O ATOM 1359 OD2 ASP A 107 -4.917 -14.292 8.179 1.00 3.27 O ATOM 0 H ASP A 107 -3.899 -11.619 5.875 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.373 -13.078 5.560 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -5.504 -11.184 7.785 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -6.654 -12.501 7.900 1.00 1.90 H new ATOM 1364 N ASP A 108 -6.198 -9.825 5.442 1.00 0.95 N ATOM 1365 CA ASP A 108 -6.901 -8.552 5.340 1.00 1.11 C ATOM 1366 C ASP A 108 -7.266 -8.257 3.892 1.00 1.14 C ATOM 1367 O ASP A 108 -8.301 -7.627 3.619 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.006 -7.407 5.856 1.00 1.39 C ATOM 1369 CG ASP A 108 -5.408 -7.646 7.234 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -6.032 -8.354 8.051 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -4.316 -7.100 7.508 1.00 3.44 O ATOM 0 H ASP A 108 -5.182 -9.740 5.402 1.00 0.95 H new ATOM 0 HA ASP A 108 -7.807 -8.621 5.942 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -5.196 -7.248 5.145 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.592 -6.488 5.883 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.379 -8.682 3.003 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.415 -8.300 1.592 1.00 1.18 C ATOM 1378 C ARG A 109 -7.667 -8.801 0.892 1.00 1.48 C ATOM 1379 O ARG A 109 -8.280 -8.043 0.151 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.169 -8.819 0.847 1.00 1.11 C ATOM 1381 CG ARG A 109 -4.985 -8.192 -0.527 1.00 1.45 C ATOM 1382 CD ARG A 109 -4.046 -8.999 -1.409 1.00 1.73 C ATOM 1383 NE ARG A 109 -3.671 -8.239 -2.599 1.00 2.25 N ATOM 1384 CZ ARG A 109 -3.218 -8.766 -3.738 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -3.061 -10.080 -3.867 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -2.906 -7.962 -4.747 1.00 3.35 N ATOM 0 H ARG A 109 -5.607 -9.306 3.239 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.425 -7.210 1.567 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.284 -8.620 1.451 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -5.244 -9.901 0.738 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -5.955 -8.105 -1.017 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -4.594 -7.181 -0.413 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.152 -9.267 -0.846 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -4.528 -9.931 -1.704 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.763 -7.224 -2.556 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -3.288 -10.700 -3.089 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -2.714 -10.468 -4.744 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -3.013 -6.953 -4.647 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -2.559 -8.354 -5.623 1.00 3.35 H new