USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=22 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 HE2:sc= 0.965 K(o=2.2,f=-3.8!) USER MOD Set 1.2: A 80 THR OG1 : rot 145:sc= 1.26 USER MOD Set 2.1: A 42 HIS : no HD1:sc= -1.05 K(o=-0.27,f=-2.4!) USER MOD Set 2.2: A 45 SER OG : rot -25:sc= 0.776 USER MOD Set 3.1: A 30 LYS NZ :NH3+ -148:sc= 1.25 (180deg=-0.138) USER MOD Set 3.2: A 32 TYR OH : rot 180:sc= 0.343 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.0685 USER MOD Single : A 38 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 2.34 (180deg=1.99) USER MOD Single : A 40 HIS : no HE2:sc= -0.454 K(o=-0.45,f=-3.9!) USER MOD Single : A 41 ASN : amide:sc= -0.0026 X(o=-0.0026,f=0.32) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00857 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -146:sc= -0.415 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= 0.881 (180deg=0.745) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 171:sc= 0.00651 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0449) USER MOD Single : A 64 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-4!) USER MOD Single : A 74 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.23) USER MOD Single : A 82 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.4!) USER MOD Single : A 88 HIS : no HD1:sc= -0.59 X(o=-0.59,f=-0.35) 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 150:sc= -0.35 (180deg=-1.47!) USER MOD Single : A 96 SER OG : rot -104:sc= 0.972 USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.05) USER MOD Single : A 98 THR OG1 : rot 92:sc= 0.0971 USER MOD Single : A 105 HIS : no HE2:sc= -2.07! C(o=-2.1!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 3.919 -9.037 -3.357 1.00 1.65 N ATOM 109 CA VAL A 29 2.865 -8.188 -2.812 1.00 1.29 C ATOM 110 C VAL A 29 3.025 -8.133 -1.300 1.00 1.04 C ATOM 111 O VAL A 29 2.414 -8.921 -0.576 1.00 1.10 O ATOM 112 CB VAL A 29 1.440 -8.708 -3.147 1.00 1.34 C ATOM 113 CG1 VAL A 29 0.420 -7.587 -3.032 1.00 1.70 C ATOM 114 CG2 VAL A 29 1.391 -9.340 -4.532 1.00 1.82 C ATOM 0 HA VAL A 29 2.966 -7.202 -3.265 1.00 1.29 H new ATOM 0 HB VAL A 29 1.188 -9.481 -2.421 1.00 1.34 H new ATOM 0 HG11 VAL A 29 -0.572 -7.971 -3.271 1.00 1.70 H new ATOM 0 HG12 VAL A 29 0.422 -7.196 -2.015 1.00 1.70 H new ATOM 0 HG13 VAL A 29 0.677 -6.789 -3.728 1.00 1.70 H new ATOM 0 HG21 VAL A 29 0.380 -9.693 -4.735 1.00 1.82 H new ATOM 0 HG22 VAL A 29 1.674 -8.599 -5.280 1.00 1.82 H new ATOM 0 HG23 VAL A 29 2.084 -10.180 -4.573 1.00 1.82 H new ATOM 124 N LYS A 30 3.884 -7.239 -0.835 1.00 0.90 N ATOM 125 CA LYS A 30 4.188 -7.139 0.586 1.00 0.79 C ATOM 126 C LYS A 30 2.968 -6.650 1.362 1.00 0.63 C ATOM 127 O LYS A 30 2.396 -5.605 1.044 1.00 0.66 O ATOM 128 CB LYS A 30 5.404 -6.228 0.813 1.00 0.87 C ATOM 129 CG LYS A 30 6.239 -6.589 2.032 1.00 1.26 C ATOM 130 CD LYS A 30 5.929 -5.700 3.224 1.00 2.11 C ATOM 131 CE LYS A 30 6.980 -5.859 4.314 1.00 2.93 C ATOM 132 NZ LYS A 30 6.815 -4.861 5.402 1.00 3.71 N ATOM 0 H LYS A 30 4.384 -6.571 -1.421 1.00 0.90 H new ATOM 0 HA LYS A 30 4.442 -8.130 0.961 1.00 0.79 H new ATOM 0 HB2 LYS A 30 6.040 -6.264 -0.072 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.058 -5.199 0.916 1.00 0.87 H new ATOM 0 HG2 LYS A 30 6.056 -7.630 2.300 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.297 -6.505 1.783 1.00 1.26 H new ATOM 0 HD2 LYS A 30 5.887 -4.659 2.904 1.00 2.11 H new ATOM 0 HD3 LYS A 30 4.946 -5.951 3.623 1.00 2.11 H new ATOM 0 HE2 LYS A 30 6.918 -6.864 4.732 1.00 2.93 H new ATOM 0 HE3 LYS A 30 7.973 -5.756 3.877 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 7.747 -4.621 5.797 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 6.369 -4.002 5.021 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 6.214 -5.260 6.151 1.00 3.71 H new ATOM 146 N TYR A 31 2.575 -7.404 2.374 1.00 0.56 N ATOM 147 CA TYR A 31 1.372 -7.094 3.126 1.00 0.49 C ATOM 148 C TYR A 31 1.698 -6.396 4.438 1.00 0.50 C ATOM 149 O TYR A 31 2.832 -6.428 4.920 1.00 0.64 O ATOM 150 CB TYR A 31 0.574 -8.368 3.426 1.00 0.56 C ATOM 151 CG TYR A 31 0.092 -9.102 2.195 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.514 -8.418 1.153 1.00 0.61 C ATOM 153 CD2 TYR A 31 0.229 -10.483 2.083 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.970 -9.079 0.035 1.00 0.75 C ATOM 155 CE2 TYR A 31 -0.228 -11.153 0.965 1.00 0.94 C ATOM 156 CZ TYR A 31 -0.826 -10.444 -0.056 1.00 0.89 C ATOM 157 OH TYR A 31 -1.280 -11.095 -1.176 1.00 1.06 O ATOM 0 H TYR A 31 3.072 -8.235 2.694 1.00 0.56 H new ATOM 0 HA TYR A 31 0.775 -6.424 2.508 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.195 -9.041 4.017 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.288 -8.107 4.040 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.631 -7.346 1.219 1.00 0.61 H new ATOM 0 HD2 TYR A 31 0.699 -11.038 2.881 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -1.439 -8.528 -0.767 1.00 0.75 H new ATOM 0 HE2 TYR A 31 -0.118 -12.225 0.891 1.00 0.94 H new ATOM 0 HH TYR A 31 -1.104 -12.055 -1.090 1.00 1.06 H new ATOM 167 N TYR A 32 0.690 -5.755 4.991 1.00 0.43 N ATOM 168 CA TYR A 32 0.737 -5.228 6.340 1.00 0.46 C ATOM 169 C TYR A 32 -0.526 -5.678 7.057 1.00 0.53 C ATOM 170 O TYR A 32 -1.170 -6.609 6.603 1.00 0.89 O ATOM 171 CB TYR A 32 0.866 -3.698 6.324 1.00 0.46 C ATOM 172 CG TYR A 32 2.252 -3.225 5.970 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.647 -3.086 4.645 1.00 0.98 C ATOM 174 CD2 TYR A 32 3.173 -2.940 6.965 1.00 1.09 C ATOM 175 CE1 TYR A 32 3.925 -2.673 4.326 1.00 1.03 C ATOM 176 CE2 TYR A 32 4.452 -2.535 6.656 1.00 1.20 C ATOM 177 CZ TYR A 32 4.824 -2.400 5.337 1.00 0.81 C ATOM 178 OH TYR A 32 6.112 -2.029 5.032 1.00 0.96 O ATOM 0 H TYR A 32 -0.194 -5.583 4.512 1.00 0.43 H new ATOM 0 HA TYR A 32 1.612 -5.606 6.868 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.154 -3.287 5.608 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.594 -3.306 7.304 1.00 0.46 H new ATOM 0 HD1 TYR A 32 1.945 -3.304 3.854 1.00 0.98 H new ATOM 0 HD2 TYR A 32 2.883 -3.037 8.001 1.00 1.09 H new ATOM 0 HE1 TYR A 32 4.219 -2.564 3.293 1.00 1.03 H new ATOM 0 HE2 TYR A 32 5.160 -2.324 7.444 1.00 1.20 H new ATOM 0 HH TYR A 32 6.612 -1.873 5.860 1.00 0.96 H new ATOM 188 N THR A 33 -0.872 -5.070 8.172 1.00 0.48 N ATOM 189 CA THR A 33 -2.153 -5.352 8.799 1.00 0.57 C ATOM 190 C THR A 33 -3.002 -4.093 8.848 1.00 0.56 C ATOM 191 O THR A 33 -2.513 -3.014 8.508 1.00 0.60 O ATOM 192 CB THR A 33 -1.982 -5.897 10.226 1.00 0.72 C ATOM 193 OG1 THR A 33 -1.098 -5.046 10.967 1.00 0.77 O ATOM 194 CG2 THR A 33 -1.447 -7.321 10.209 1.00 0.82 C ATOM 0 H THR A 33 -0.295 -4.385 8.661 1.00 0.48 H new ATOM 0 HA THR A 33 -2.647 -6.113 8.196 1.00 0.57 H new ATOM 0 HB THR A 33 -2.960 -5.911 10.708 1.00 0.72 H new ATOM 0 HG1 THR A 33 -0.866 -5.476 11.817 1.00 0.77 H new ATOM 0 HG21 THR A 33 -1.336 -7.680 11.232 1.00 0.82 H new ATOM 0 HG22 THR A 33 -2.143 -7.965 9.672 1.00 0.82 H new ATOM 0 HG23 THR A 33 -0.478 -7.340 9.711 1.00 0.82 H new ATOM 202 N LEU A 34 -4.262 -4.217 9.251 1.00 0.60 N ATOM 203 CA LEU A 34 -5.079 -3.037 9.489 1.00 0.64 C ATOM 204 C LEU A 34 -4.374 -2.161 10.516 1.00 0.58 C ATOM 205 O LEU A 34 -4.174 -0.961 10.344 1.00 0.59 O ATOM 206 CB LEU A 34 -6.474 -3.429 9.987 1.00 0.86 C ATOM 207 CG LEU A 34 -7.447 -2.258 10.167 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.664 -1.527 8.847 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.771 -2.752 10.731 1.00 1.46 C ATOM 0 H LEU A 34 -4.732 -5.107 9.417 1.00 0.60 H new ATOM 0 HA LEU A 34 -5.206 -2.488 8.556 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.909 -4.139 9.284 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.371 -3.947 10.940 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.010 -1.554 10.875 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.358 -0.700 8.999 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.712 -1.140 8.485 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -8.078 -2.218 8.112 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.451 -1.909 10.853 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -9.211 -3.477 10.046 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.601 -3.224 11.699 1.00 1.46 H new ATOM 221 N GLU A 35 -3.972 -2.866 11.586 1.00 0.65 N ATOM 222 CA GLU A 35 -3.279 -2.319 12.750 1.00 0.77 C ATOM 223 C GLU A 35 -2.135 -1.410 12.346 1.00 0.73 C ATOM 224 O GLU A 35 -1.995 -0.301 12.850 1.00 0.88 O ATOM 225 CB GLU A 35 -2.726 -3.481 13.578 1.00 0.94 C ATOM 226 CG GLU A 35 -2.086 -3.062 14.888 1.00 1.41 C ATOM 227 CD GLU A 35 -1.223 -4.158 15.480 1.00 1.91 C ATOM 228 OE1 GLU A 35 -1.775 -5.166 15.962 1.00 2.34 O ATOM 229 OE2 GLU A 35 0.014 -4.008 15.464 1.00 2.56 O ATOM 0 H GLU A 35 -4.130 -3.871 11.661 1.00 0.65 H new ATOM 0 HA GLU A 35 -3.989 -1.728 13.328 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -3.536 -4.180 13.789 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -1.989 -4.019 12.982 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -1.479 -2.172 14.725 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -2.865 -2.791 15.600 1.00 1.41 H new ATOM 236 N GLU A 36 -1.300 -1.940 11.451 1.00 0.63 N ATOM 237 CA GLU A 36 -0.086 -1.274 10.998 1.00 0.74 C ATOM 238 C GLU A 36 -0.382 0.052 10.335 1.00 0.67 C ATOM 239 O GLU A 36 0.431 0.961 10.365 1.00 0.82 O ATOM 240 CB GLU A 36 0.673 -2.172 10.028 1.00 0.85 C ATOM 241 CG GLU A 36 1.637 -3.116 10.718 1.00 0.95 C ATOM 242 CD GLU A 36 2.727 -2.370 11.464 1.00 1.24 C ATOM 243 OE1 GLU A 36 3.736 -1.995 10.833 1.00 1.67 O ATOM 244 OE2 GLU A 36 2.588 -2.173 12.684 1.00 1.76 O ATOM 0 H GLU A 36 -1.452 -2.851 11.019 1.00 0.63 H new ATOM 0 HA GLU A 36 0.526 -1.079 11.879 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -0.042 -2.754 9.447 1.00 0.85 H new ATOM 0 HB3 GLU A 36 1.225 -1.550 9.324 1.00 0.85 H new ATOM 0 HG2 GLU A 36 1.088 -3.749 11.416 1.00 0.95 H new ATOM 0 HG3 GLU A 36 2.090 -3.776 9.978 1.00 0.95 H new ATOM 251 N ILE A 37 -1.540 0.132 9.708 1.00 0.52 N ATOM 252 CA ILE A 37 -1.932 1.326 8.979 1.00 0.50 C ATOM 253 C ILE A 37 -2.736 2.259 9.877 1.00 0.53 C ATOM 254 O ILE A 37 -2.650 3.480 9.765 1.00 0.72 O ATOM 255 CB ILE A 37 -2.764 0.961 7.737 1.00 0.49 C ATOM 256 CG1 ILE A 37 -2.021 -0.078 6.894 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.048 2.214 6.923 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.830 -0.606 5.734 1.00 0.72 C ATOM 0 H ILE A 37 -2.230 -0.619 9.688 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.024 1.835 8.656 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.714 0.529 8.053 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -1.102 0.366 6.513 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.731 -0.912 7.533 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.637 1.951 6.044 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.604 2.926 7.533 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.107 2.664 6.607 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -2.240 -1.337 5.182 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.737 -1.080 6.109 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -3.098 0.218 5.072 1.00 0.72 H new ATOM 270 N GLN A 38 -3.502 1.656 10.774 1.00 0.48 N ATOM 271 CA GLN A 38 -4.313 2.378 11.746 1.00 0.52 C ATOM 272 C GLN A 38 -3.427 3.244 12.643 1.00 0.54 C ATOM 273 O GLN A 38 -3.730 4.401 12.912 1.00 0.64 O ATOM 274 CB GLN A 38 -5.085 1.361 12.588 1.00 0.56 C ATOM 275 CG GLN A 38 -6.255 1.943 13.361 1.00 0.78 C ATOM 276 CD GLN A 38 -7.338 2.481 12.449 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.273 1.765 12.091 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.218 3.741 12.059 1.00 0.74 N ATOM 0 H GLN A 38 -3.580 0.642 10.849 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.011 3.035 11.226 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -5.455 0.572 11.933 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -4.397 0.894 13.292 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.677 1.175 14.009 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -5.897 2.744 14.008 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.428 4.301 12.379 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -7.916 4.152 11.439 1.00 0.74 H new ATOM 287 N LYS A 39 -2.317 2.648 13.088 1.00 0.54 N ATOM 288 CA LYS A 39 -1.386 3.282 14.028 1.00 0.62 C ATOM 289 C LYS A 39 -0.554 4.371 13.346 1.00 0.58 C ATOM 290 O LYS A 39 0.218 5.076 13.996 1.00 0.66 O ATOM 291 CB LYS A 39 -0.453 2.217 14.622 1.00 0.77 C ATOM 292 CG LYS A 39 0.472 1.577 13.602 1.00 1.28 C ATOM 293 CD LYS A 39 1.365 0.520 14.236 1.00 1.57 C ATOM 294 CE LYS A 39 0.565 -0.679 14.726 1.00 2.08 C ATOM 295 NZ LYS A 39 1.436 -1.851 14.997 1.00 2.52 N ATOM 0 H LYS A 39 -2.037 1.709 12.806 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.971 3.751 14.819 1.00 0.62 H new ATOM 0 HB2 LYS A 39 0.148 2.672 15.409 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -1.056 1.439 15.091 1.00 0.77 H new ATOM 0 HG2 LYS A 39 -0.121 1.124 12.808 1.00 1.28 H new ATOM 0 HG3 LYS A 39 1.091 2.346 13.139 1.00 1.28 H new ATOM 0 HD2 LYS A 39 2.107 0.189 13.510 1.00 1.57 H new ATOM 0 HD3 LYS A 39 1.910 0.959 15.072 1.00 1.57 H new ATOM 0 HE2 LYS A 39 0.026 -0.409 15.634 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -0.182 -0.947 13.979 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 0.847 -2.698 15.130 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 2.079 -1.999 14.193 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 1.993 -1.678 15.858 1.00 2.52 H new ATOM 309 N HIS A 40 -0.699 4.487 12.032 1.00 0.53 N ATOM 310 CA HIS A 40 0.103 5.415 11.244 1.00 0.56 C ATOM 311 C HIS A 40 -0.797 6.433 10.550 1.00 0.65 C ATOM 312 O HIS A 40 -0.650 6.718 9.364 1.00 0.93 O ATOM 313 CB HIS A 40 0.956 4.643 10.225 1.00 0.56 C ATOM 314 CG HIS A 40 2.073 3.867 10.854 1.00 0.93 C ATOM 315 ND1 HIS A 40 2.427 2.605 10.450 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.921 4.187 11.860 1.00 1.39 C ATOM 317 CE1 HIS A 40 3.443 2.177 11.173 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.765 3.120 12.040 1.00 1.80 N ATOM 0 H HIS A 40 -1.370 3.946 11.486 1.00 0.53 H new ATOM 0 HA HIS A 40 0.776 5.958 11.908 1.00 0.56 H new ATOM 0 HB2 HIS A 40 0.315 3.958 9.670 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.372 5.346 9.503 1.00 0.56 H new ATOM 0 HD1 HIS A 40 1.973 2.078 9.704 1.00 1.08 H new ATOM 0 HD2 HIS A 40 2.931 5.112 12.418 1.00 1.39 H new ATOM 0 HE1 HIS A 40 3.930 1.218 11.073 1.00 1.59 H new ATOM 327 N ASN A 41 -1.753 6.944 11.326 1.00 0.56 N ATOM 328 CA ASN A 41 -2.756 7.902 10.850 1.00 0.64 C ATOM 329 C ASN A 41 -2.437 9.295 11.385 1.00 0.82 C ATOM 330 O ASN A 41 -3.201 10.245 11.209 1.00 1.20 O ATOM 331 CB ASN A 41 -4.130 7.467 11.372 1.00 0.69 C ATOM 332 CG ASN A 41 -4.322 7.795 12.843 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.825 7.091 13.719 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.047 8.867 13.125 1.00 1.74 N ATOM 0 H ASN A 41 -1.855 6.704 12.312 1.00 0.56 H new ATOM 0 HA ASN A 41 -2.752 7.928 9.760 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -4.909 7.958 10.789 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.249 6.394 11.223 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -5.209 9.132 14.097 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -5.444 9.427 12.371 1.00 1.74 H new ATOM 341 N HIS A 42 -1.296 9.382 12.059 1.00 0.73 N ATOM 342 CA HIS A 42 -0.943 10.548 12.867 1.00 0.97 C ATOM 343 C HIS A 42 0.068 11.461 12.170 1.00 1.06 C ATOM 344 O HIS A 42 0.462 11.221 11.039 1.00 1.54 O ATOM 345 CB HIS A 42 -0.389 10.089 14.227 1.00 1.05 C ATOM 346 CG HIS A 42 0.782 9.147 14.150 1.00 0.90 C ATOM 347 ND1 HIS A 42 1.802 9.275 13.234 1.00 0.81 N ATOM 348 CD2 HIS A 42 1.096 8.066 14.904 1.00 1.14 C ATOM 349 CE1 HIS A 42 2.694 8.322 13.431 1.00 0.87 C ATOM 350 NE2 HIS A 42 2.292 7.574 14.439 1.00 1.08 N ATOM 0 H HIS A 42 -0.588 8.647 12.062 1.00 0.73 H new ATOM 0 HA HIS A 42 -1.853 11.131 13.012 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.092 10.969 14.797 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -1.191 9.604 14.784 1.00 1.05 H new ATOM 0 HD2 HIS A 42 0.514 7.665 15.720 1.00 1.14 H new ATOM 0 HE1 HIS A 42 3.601 8.179 12.862 1.00 0.87 H new ATOM 0 HE2 HIS A 42 2.787 6.764 14.812 1.00 1.08 H new ATOM 359 N SER A 43 0.506 12.484 12.891 1.00 1.01 N ATOM 360 CA SER A 43 1.446 13.479 12.380 1.00 1.12 C ATOM 361 C SER A 43 2.658 12.841 11.695 1.00 0.97 C ATOM 362 O SER A 43 2.928 13.080 10.522 1.00 1.05 O ATOM 363 CB SER A 43 1.910 14.337 13.552 1.00 1.34 C ATOM 364 OG SER A 43 2.168 13.517 14.685 1.00 2.00 O ATOM 0 H SER A 43 0.218 12.650 13.855 1.00 1.01 H new ATOM 0 HA SER A 43 0.938 14.080 11.626 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.811 14.885 13.277 1.00 1.34 H new ATOM 0 HB3 SER A 43 1.148 15.077 13.795 1.00 1.34 H new ATOM 0 HG SER A 43 2.467 14.076 15.432 1.00 2.00 H new ATOM 370 N LYS A 44 3.374 12.016 12.455 1.00 0.89 N ATOM 371 CA LYS A 44 4.675 11.492 12.039 1.00 0.89 C ATOM 372 C LYS A 44 4.589 10.516 10.870 1.00 0.77 C ATOM 373 O LYS A 44 5.618 10.132 10.316 1.00 0.94 O ATOM 374 CB LYS A 44 5.361 10.827 13.229 1.00 1.01 C ATOM 375 CG LYS A 44 5.816 11.829 14.274 1.00 1.53 C ATOM 376 CD LYS A 44 6.605 11.176 15.395 1.00 2.16 C ATOM 377 CE LYS A 44 7.183 12.229 16.332 1.00 2.63 C ATOM 378 NZ LYS A 44 8.075 11.648 17.371 1.00 3.26 N ATOM 0 H LYS A 44 3.071 11.692 13.374 1.00 0.89 H new ATOM 0 HA LYS A 44 5.262 12.340 11.687 1.00 0.89 H new ATOM 0 HB2 LYS A 44 4.675 10.115 13.688 1.00 1.01 H new ATOM 0 HB3 LYS A 44 6.222 10.259 12.877 1.00 1.01 H new ATOM 0 HG2 LYS A 44 6.430 12.593 13.798 1.00 1.53 H new ATOM 0 HG3 LYS A 44 4.946 12.335 14.692 1.00 1.53 H new ATOM 0 HD2 LYS A 44 5.959 10.499 15.955 1.00 2.16 H new ATOM 0 HD3 LYS A 44 7.411 10.573 14.976 1.00 2.16 H new ATOM 0 HE2 LYS A 44 7.741 12.961 15.748 1.00 2.63 H new ATOM 0 HE3 LYS A 44 6.367 12.764 16.818 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 8.440 12.408 17.980 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 7.539 10.969 17.948 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 8.871 11.160 16.912 1.00 3.26 H new ATOM 392 N SER A 45 3.377 10.114 10.507 1.00 0.63 N ATOM 393 CA SER A 45 3.167 9.196 9.392 1.00 0.62 C ATOM 394 C SER A 45 1.719 9.270 8.935 1.00 0.65 C ATOM 395 O SER A 45 0.816 9.008 9.726 1.00 1.05 O ATOM 396 CB SER A 45 3.499 7.740 9.767 1.00 0.65 C ATOM 397 OG SER A 45 4.772 7.632 10.377 1.00 1.31 O ATOM 0 H SER A 45 2.519 10.411 10.971 1.00 0.63 H new ATOM 0 HA SER A 45 3.840 9.500 8.590 1.00 0.62 H new ATOM 0 HB2 SER A 45 2.737 7.357 10.446 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.471 7.119 8.872 1.00 0.65 H new ATOM 0 HG SER A 45 5.334 8.384 10.097 1.00 1.31 H new ATOM 403 N THR A 46 1.485 9.607 7.680 1.00 0.43 N ATOM 404 CA THR A 46 0.126 9.648 7.175 1.00 0.42 C ATOM 405 C THR A 46 -0.096 8.539 6.152 1.00 0.39 C ATOM 406 O THR A 46 0.201 8.698 4.965 1.00 0.47 O ATOM 407 CB THR A 46 -0.203 11.020 6.559 1.00 0.51 C ATOM 408 OG1 THR A 46 0.229 12.060 7.448 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.701 11.156 6.316 1.00 0.64 C ATOM 0 H THR A 46 2.206 9.853 7.001 1.00 0.43 H new ATOM 0 HA THR A 46 -0.547 9.490 8.017 1.00 0.42 H new ATOM 0 HB THR A 46 0.317 11.106 5.605 1.00 0.51 H new ATOM 0 HG1 THR A 46 -0.388 12.819 7.388 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.912 12.133 5.880 1.00 0.64 H new ATOM 0 HG22 THR A 46 -2.031 10.375 5.631 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.233 11.058 7.262 1.00 0.64 H new ATOM 417 N TRP A 47 -0.579 7.398 6.623 1.00 0.37 N ATOM 418 CA TRP A 47 -0.889 6.290 5.737 1.00 0.36 C ATOM 419 C TRP A 47 -2.359 6.281 5.367 1.00 0.37 C ATOM 420 O TRP A 47 -3.183 6.886 6.045 1.00 0.50 O ATOM 421 CB TRP A 47 -0.527 4.939 6.362 1.00 0.37 C ATOM 422 CG TRP A 47 0.943 4.670 6.437 1.00 0.36 C ATOM 423 CD1 TRP A 47 1.952 5.551 6.192 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.567 3.426 6.775 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.165 4.934 6.349 1.00 0.40 N ATOM 426 CE2 TRP A 47 2.956 3.629 6.712 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.083 2.160 7.130 1.00 0.40 C ATOM 428 CZ2 TRP A 47 3.869 2.611 6.979 1.00 0.45 C ATOM 429 CZ3 TRP A 47 1.991 1.153 7.398 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.368 1.385 7.324 1.00 0.47 C ATOM 0 H TRP A 47 -0.763 7.218 7.610 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.287 6.435 4.840 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.945 4.893 7.368 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -1.001 4.146 5.784 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.816 6.586 5.914 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.076 5.374 6.217 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.021 1.975 7.193 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 4.933 2.783 6.916 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.631 0.171 7.669 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.052 0.578 7.544 1.00 0.47 H new ATOM 441 N LEU A 48 -2.680 5.573 4.305 1.00 0.31 N ATOM 442 CA LEU A 48 -4.063 5.376 3.907 1.00 0.31 C ATOM 443 C LEU A 48 -4.185 4.110 3.076 1.00 0.28 C ATOM 444 O LEU A 48 -3.191 3.429 2.832 1.00 0.29 O ATOM 445 CB LEU A 48 -4.615 6.575 3.121 1.00 0.37 C ATOM 446 CG LEU A 48 -3.890 6.913 1.814 1.00 0.45 C ATOM 447 CD1 LEU A 48 -4.842 7.607 0.859 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.678 7.799 2.074 1.00 0.55 C ATOM 0 H LEU A 48 -1.998 5.120 3.696 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.657 5.280 4.816 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.663 6.383 2.893 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.585 7.452 3.767 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.543 5.982 1.366 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.319 7.844 -0.068 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -5.684 6.949 0.643 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.208 8.527 1.315 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.182 8.024 1.130 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -3.001 8.728 2.544 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -1.983 7.280 2.734 1.00 0.55 H new ATOM 460 N ILE A 49 -5.397 3.796 2.654 1.00 0.34 N ATOM 461 CA ILE A 49 -5.638 2.669 1.773 1.00 0.36 C ATOM 462 C ILE A 49 -6.531 3.100 0.616 1.00 0.42 C ATOM 463 O ILE A 49 -7.410 3.942 0.791 1.00 0.65 O ATOM 464 CB ILE A 49 -6.304 1.493 2.526 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.441 1.056 3.709 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.534 0.320 1.583 1.00 0.49 C ATOM 467 CD1 ILE A 49 -6.123 0.050 4.602 1.00 0.46 C ATOM 0 H ILE A 49 -6.238 4.313 2.911 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.674 2.329 1.394 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.268 1.831 2.905 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.511 0.628 3.334 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.173 1.933 4.299 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -7.003 -0.499 2.128 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.185 0.632 0.766 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.579 -0.014 1.178 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.457 -0.219 5.422 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -7.039 0.483 5.005 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.367 -0.842 4.025 1.00 0.46 H new ATOM 479 N LEU A 50 -6.271 2.568 -0.569 1.00 0.41 N ATOM 480 CA LEU A 50 -7.168 2.737 -1.700 1.00 0.53 C ATOM 481 C LEU A 50 -7.526 1.374 -2.264 1.00 0.78 C ATOM 482 O LEU A 50 -6.819 0.844 -3.126 1.00 1.77 O ATOM 483 CB LEU A 50 -6.550 3.614 -2.794 1.00 0.49 C ATOM 484 CG LEU A 50 -6.307 5.078 -2.413 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.683 5.830 -3.577 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.611 5.745 -1.998 1.00 0.99 C ATOM 0 H LEU A 50 -5.440 2.012 -0.772 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.067 3.243 -1.348 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.599 3.173 -3.094 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.203 3.588 -3.667 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.619 5.104 -1.568 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.516 6.869 -3.292 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.731 5.369 -3.840 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.354 5.793 -4.436 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.419 6.784 -1.731 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.318 5.708 -2.826 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.030 5.221 -1.139 1.00 0.99 H new ATOM 498 N HIS A 51 -8.576 0.785 -1.707 1.00 0.67 N ATOM 499 CA HIS A 51 -9.134 -0.486 -2.171 1.00 0.73 C ATOM 500 C HIS A 51 -8.364 -1.690 -1.611 1.00 0.82 C ATOM 501 O HIS A 51 -8.963 -2.585 -1.025 1.00 1.80 O ATOM 502 CB HIS A 51 -9.222 -0.524 -3.701 1.00 0.79 C ATOM 503 CG HIS A 51 -10.284 0.388 -4.242 1.00 1.23 C ATOM 504 ND1 HIS A 51 -11.279 -0.033 -5.090 1.00 1.87 N ATOM 505 CD2 HIS A 51 -10.528 1.699 -4.004 1.00 1.56 C ATOM 506 CE1 HIS A 51 -12.095 0.975 -5.342 1.00 2.45 C ATOM 507 NE2 HIS A 51 -11.664 2.041 -4.693 1.00 2.30 N ATOM 0 H HIS A 51 -9.074 1.179 -0.909 1.00 0.67 H new ATOM 0 HA HIS A 51 -10.150 -0.559 -1.782 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -8.257 -0.243 -4.124 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -9.426 -1.545 -4.024 1.00 0.79 H new ATOM 0 HD1 HIS A 51 -11.373 -0.976 -5.466 1.00 1.87 H new ATOM 0 HD2 HIS A 51 -9.936 2.356 -3.384 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -12.970 0.934 -5.974 1.00 2.45 H new ATOM 516 N HIS A 52 -7.048 -1.732 -1.797 1.00 0.46 N ATOM 517 CA HIS A 52 -6.250 -2.839 -1.245 1.00 0.42 C ATOM 518 C HIS A 52 -4.944 -2.319 -0.667 1.00 0.43 C ATOM 519 O HIS A 52 -4.415 -2.860 0.303 1.00 0.81 O ATOM 520 CB HIS A 52 -5.858 -3.893 -2.300 1.00 0.58 C ATOM 521 CG HIS A 52 -6.838 -4.158 -3.407 1.00 1.12 C ATOM 522 ND1 HIS A 52 -6.504 -4.025 -4.740 1.00 1.75 N ATOM 523 CD2 HIS A 52 -8.116 -4.609 -3.387 1.00 1.81 C ATOM 524 CE1 HIS A 52 -7.528 -4.383 -5.487 1.00 2.34 C ATOM 525 NE2 HIS A 52 -8.520 -4.742 -4.695 1.00 2.36 N ATOM 0 H HIS A 52 -6.514 -1.032 -2.313 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.887 -3.297 -0.488 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -4.915 -3.584 -2.751 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.671 -4.834 -1.783 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -8.706 -4.824 -2.509 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -7.552 -4.383 -6.567 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -9.437 -5.065 -5.003 1.00 2.36 H new ATOM 534 N LYS A 53 -4.422 -1.273 -1.294 1.00 0.33 N ATOM 535 CA LYS A 53 -3.025 -0.898 -1.141 1.00 0.36 C ATOM 536 C LYS A 53 -2.842 0.183 -0.093 1.00 0.29 C ATOM 537 O LYS A 53 -3.605 1.147 -0.050 1.00 0.32 O ATOM 538 CB LYS A 53 -2.479 -0.428 -2.493 1.00 0.45 C ATOM 539 CG LYS A 53 -2.916 -1.325 -3.641 1.00 0.66 C ATOM 540 CD LYS A 53 -2.495 -0.797 -4.999 1.00 0.95 C ATOM 541 CE LYS A 53 -1.207 -1.446 -5.471 1.00 1.25 C ATOM 542 NZ LYS A 53 -1.384 -2.893 -5.764 1.00 1.76 N ATOM 0 H LYS A 53 -4.952 -0.665 -1.919 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.470 -1.772 -0.800 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -2.817 0.591 -2.683 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.390 -0.400 -2.452 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -2.495 -2.320 -3.498 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -4.001 -1.432 -3.619 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -3.286 -0.985 -5.725 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -2.361 0.283 -4.945 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -0.852 -0.936 -6.367 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -0.439 -1.323 -4.708 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -0.512 -3.406 -5.521 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -2.174 -3.267 -5.201 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -1.590 -3.020 -6.776 1.00 1.76 H new ATOM 556 N VAL A 54 -1.823 0.023 0.734 1.00 0.27 N ATOM 557 CA VAL A 54 -1.480 1.019 1.729 1.00 0.25 C ATOM 558 C VAL A 54 -0.528 2.054 1.120 1.00 0.23 C ATOM 559 O VAL A 54 0.377 1.708 0.352 1.00 0.25 O ATOM 560 CB VAL A 54 -0.844 0.359 2.976 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.358 -0.496 2.605 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.461 1.406 4.007 1.00 0.32 C ATOM 0 H VAL A 54 -1.215 -0.796 0.734 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.393 1.522 2.048 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.594 -0.298 3.416 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.778 -0.943 3.506 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.046 -1.284 1.920 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.112 0.126 2.123 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.016 0.917 4.874 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.259 2.099 3.572 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.351 1.954 4.316 1.00 0.32 H new ATOM 572 N TYR A 55 -0.761 3.321 1.421 1.00 0.23 N ATOM 573 CA TYR A 55 0.076 4.391 0.897 1.00 0.25 C ATOM 574 C TYR A 55 0.772 5.146 2.025 1.00 0.27 C ATOM 575 O TYR A 55 0.494 4.910 3.200 1.00 0.35 O ATOM 576 CB TYR A 55 -0.744 5.382 0.060 1.00 0.27 C ATOM 577 CG TYR A 55 -1.323 4.817 -1.223 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.298 3.829 -1.187 1.00 0.74 C ATOM 579 CD2 TYR A 55 -0.877 5.251 -2.466 1.00 0.83 C ATOM 580 CE1 TYR A 55 -2.814 3.294 -2.350 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.390 4.720 -3.632 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.407 3.822 -3.578 1.00 0.42 C ATOM 583 OH TYR A 55 -2.876 3.209 -4.719 1.00 0.49 O ATOM 0 H TYR A 55 -1.521 3.635 2.024 1.00 0.23 H new ATOM 0 HA TYR A 55 0.827 3.924 0.260 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.562 5.762 0.673 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.111 6.233 -0.190 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.659 3.473 -0.233 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.117 6.016 -2.520 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.522 2.479 -2.311 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -0.983 5.019 -4.587 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.522 3.671 -5.508 1.00 0.49 H new ATOM 593 N ASP A 56 1.662 6.054 1.655 1.00 0.34 N ATOM 594 CA ASP A 56 2.307 6.952 2.609 1.00 0.38 C ATOM 595 C ASP A 56 2.357 8.357 2.024 1.00 0.38 C ATOM 596 O ASP A 56 2.674 8.520 0.848 1.00 0.48 O ATOM 597 CB ASP A 56 3.732 6.471 2.936 1.00 0.47 C ATOM 598 CG ASP A 56 4.473 7.356 3.934 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.894 8.476 3.564 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.676 6.918 5.087 1.00 1.32 O ATOM 0 H ASP A 56 1.959 6.191 0.689 1.00 0.34 H new ATOM 0 HA ASP A 56 1.728 6.957 3.533 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.680 5.458 3.334 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.308 6.421 2.012 1.00 0.47 H new ATOM 605 N LEU A 57 2.003 9.364 2.807 1.00 0.37 N ATOM 606 CA LEU A 57 2.206 10.739 2.369 1.00 0.39 C ATOM 607 C LEU A 57 3.326 11.369 3.184 1.00 0.51 C ATOM 608 O LEU A 57 4.408 11.643 2.667 1.00 1.12 O ATOM 609 CB LEU A 57 0.929 11.590 2.491 1.00 0.45 C ATOM 610 CG LEU A 57 -0.319 11.048 1.780 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.472 12.035 1.897 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.022 10.746 0.317 1.00 1.27 C ATOM 0 H LEU A 57 1.582 9.262 3.730 1.00 0.37 H new ATOM 0 HA LEU A 57 2.475 10.712 1.313 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.696 11.708 3.549 1.00 0.45 H new ATOM 0 HB3 LEU A 57 1.142 12.585 2.099 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.609 10.117 2.267 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.348 11.634 1.387 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -1.707 12.197 2.949 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.188 12.982 1.439 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -0.921 10.363 -0.165 1.00 1.27 H new ATOM 0 HD22 LEU A 57 0.299 11.659 -0.185 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.770 9.999 0.253 1.00 1.27 H new ATOM 624 N THR A 58 3.029 11.571 4.474 1.00 0.54 N ATOM 625 CA THR A 58 3.985 12.030 5.492 1.00 0.56 C ATOM 626 C THR A 58 4.595 13.402 5.187 1.00 0.66 C ATOM 627 O THR A 58 4.350 14.363 5.909 1.00 1.15 O ATOM 628 CB THR A 58 5.087 10.982 5.723 1.00 0.65 C ATOM 629 OG1 THR A 58 4.482 9.718 6.033 1.00 1.43 O ATOM 630 CG2 THR A 58 6.018 11.388 6.865 1.00 1.12 C ATOM 0 H THR A 58 2.093 11.416 4.849 1.00 0.54 H new ATOM 0 HA THR A 58 3.410 12.151 6.410 1.00 0.56 H new ATOM 0 HB THR A 58 5.680 10.908 4.811 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.169 9.019 6.038 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.784 10.624 6.999 1.00 1.12 H new ATOM 0 HG22 THR A 58 6.493 12.340 6.626 1.00 1.12 H new ATOM 0 HG23 THR A 58 5.442 11.490 7.785 1.00 1.12 H new ATOM 638 N LYS A 59 5.395 13.490 4.137 1.00 0.57 N ATOM 639 CA LYS A 59 5.961 14.764 3.712 1.00 0.58 C ATOM 640 C LYS A 59 5.044 15.431 2.708 1.00 0.48 C ATOM 641 O LYS A 59 5.027 16.650 2.550 1.00 0.54 O ATOM 642 CB LYS A 59 7.329 14.542 3.087 1.00 0.69 C ATOM 643 CG LYS A 59 8.374 14.091 4.083 1.00 1.37 C ATOM 644 CD LYS A 59 9.764 14.165 3.489 1.00 1.96 C ATOM 645 CE LYS A 59 10.815 13.785 4.510 1.00 2.58 C ATOM 646 NZ LYS A 59 10.760 12.338 4.842 1.00 3.59 N ATOM 0 H LYS A 59 5.669 12.694 3.561 1.00 0.57 H new ATOM 0 HA LYS A 59 6.066 15.410 4.584 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.243 13.796 2.297 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.661 15.468 2.616 1.00 0.69 H new ATOM 0 HG2 LYS A 59 8.323 14.715 4.975 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.164 13.069 4.397 1.00 1.37 H new ATOM 0 HD2 LYS A 59 9.831 13.499 2.629 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.954 15.175 3.126 1.00 1.96 H new ATOM 0 HE2 LYS A 59 11.804 14.033 4.124 1.00 2.58 H new ATOM 0 HE3 LYS A 59 10.671 14.372 5.417 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 11.575 12.087 5.437 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 9.880 12.133 5.356 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 10.787 11.779 3.965 1.00 3.59 H new ATOM 660 N PHE A 60 4.273 14.588 2.034 1.00 0.40 N ATOM 661 CA PHE A 60 3.458 14.993 0.891 1.00 0.35 C ATOM 662 C PHE A 60 2.283 15.859 1.327 1.00 0.36 C ATOM 663 O PHE A 60 1.566 16.419 0.488 1.00 0.40 O ATOM 664 CB PHE A 60 2.958 13.724 0.190 1.00 0.37 C ATOM 665 CG PHE A 60 2.361 13.931 -1.175 1.00 0.76 C ATOM 666 CD1 PHE A 60 3.172 14.262 -2.249 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.992 13.830 -1.383 1.00 1.62 C ATOM 668 CE1 PHE A 60 2.633 14.484 -3.503 1.00 1.72 C ATOM 669 CE2 PHE A 60 0.449 14.057 -2.636 1.00 2.01 C ATOM 670 CZ PHE A 60 1.244 14.249 -3.706 1.00 1.72 C ATOM 0 H PHE A 60 4.193 13.598 2.264 1.00 0.40 H new ATOM 0 HA PHE A 60 4.061 15.592 0.208 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.791 13.027 0.101 1.00 0.37 H new ATOM 0 HB3 PHE A 60 2.211 13.249 0.826 1.00 0.37 H new ATOM 0 HD1 PHE A 60 4.239 14.348 -2.105 1.00 1.40 H new ATOM 0 HD2 PHE A 60 0.344 13.572 -0.559 1.00 1.62 H new ATOM 0 HE1 PHE A 60 3.256 14.830 -4.315 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -0.624 14.080 -2.757 1.00 2.01 H new ATOM 0 HZ PHE A 60 0.833 14.225 -4.705 1.00 1.72 H new ATOM 680 N LEU A 61 2.119 15.949 2.639 1.00 0.38 N ATOM 681 CA LEU A 61 0.963 16.567 3.284 1.00 0.44 C ATOM 682 C LEU A 61 0.750 17.996 2.838 1.00 0.47 C ATOM 683 O LEU A 61 -0.380 18.444 2.671 1.00 0.60 O ATOM 684 CB LEU A 61 1.156 16.544 4.799 1.00 0.50 C ATOM 685 CG LEU A 61 1.345 15.158 5.413 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.423 15.256 6.930 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.219 14.231 4.990 1.00 0.61 C ATOM 0 H LEU A 61 2.802 15.586 3.304 1.00 0.38 H new ATOM 0 HA LEU A 61 0.083 15.993 2.995 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.024 17.155 5.047 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.291 17.015 5.266 1.00 0.50 H new ATOM 0 HG LEU A 61 2.284 14.741 5.048 1.00 0.56 H new ATOM 0 HD11 LEU A 61 1.558 14.260 7.352 1.00 0.72 H new ATOM 0 HD12 LEU A 61 2.267 15.887 7.211 1.00 0.72 H new ATOM 0 HD13 LEU A 61 0.501 15.691 7.314 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.370 13.248 5.436 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.734 14.640 5.325 1.00 0.61 H new ATOM 0 HD23 LEU A 61 0.212 14.139 3.904 1.00 0.61 H new ATOM 699 N GLU A 62 1.869 18.709 2.677 1.00 0.46 N ATOM 700 CA GLU A 62 1.862 20.145 2.424 1.00 0.55 C ATOM 701 C GLU A 62 1.533 20.435 0.977 1.00 0.53 C ATOM 702 O GLU A 62 0.868 21.418 0.649 1.00 0.72 O ATOM 703 CB GLU A 62 3.236 20.738 2.725 1.00 0.68 C ATOM 704 CG GLU A 62 3.819 20.311 4.056 1.00 0.99 C ATOM 705 CD GLU A 62 5.122 21.023 4.360 1.00 1.22 C ATOM 706 OE1 GLU A 62 5.110 22.260 4.505 1.00 1.60 O ATOM 707 OE2 GLU A 62 6.167 20.336 4.472 1.00 1.62 O ATOM 0 H GLU A 62 2.804 18.302 2.719 1.00 0.46 H new ATOM 0 HA GLU A 62 1.105 20.590 3.070 1.00 0.55 H new ATOM 0 HB2 GLU A 62 3.925 20.451 1.931 1.00 0.68 H new ATOM 0 HB3 GLU A 62 3.162 21.825 2.706 1.00 0.68 H new ATOM 0 HG2 GLU A 62 3.100 20.516 4.849 1.00 0.99 H new ATOM 0 HG3 GLU A 62 3.987 19.234 4.049 1.00 0.99 H new ATOM 714 N GLU A 63 2.048 19.560 0.125 1.00 0.42 N ATOM 715 CA GLU A 63 2.083 19.770 -1.314 1.00 0.48 C ATOM 716 C GLU A 63 0.780 19.321 -1.954 1.00 0.46 C ATOM 717 O GLU A 63 0.396 19.810 -3.018 1.00 0.66 O ATOM 718 CB GLU A 63 3.251 18.974 -1.891 1.00 0.59 C ATOM 719 CG GLU A 63 4.544 19.156 -1.118 1.00 1.05 C ATOM 720 CD GLU A 63 5.632 18.221 -1.590 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.568 17.015 -1.264 1.00 1.83 O ATOM 722 OE2 GLU A 63 6.547 18.685 -2.298 1.00 2.03 O ATOM 0 H GLU A 63 2.458 18.673 0.418 1.00 0.42 H new ATOM 0 HA GLU A 63 2.212 20.832 -1.524 1.00 0.48 H new ATOM 0 HB2 GLU A 63 2.989 17.916 -1.903 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.410 19.275 -2.927 1.00 0.59 H new ATOM 0 HG2 GLU A 63 4.884 20.186 -1.221 1.00 1.05 H new ATOM 0 HG3 GLU A 63 4.357 18.986 -0.058 1.00 1.05 H new ATOM 729 N HIS A 64 0.132 18.364 -1.292 1.00 0.33 N ATOM 730 CA HIS A 64 -1.135 17.813 -1.747 1.00 0.32 C ATOM 731 C HIS A 64 -2.241 18.860 -1.630 1.00 0.42 C ATOM 732 O HIS A 64 -2.444 19.428 -0.555 1.00 0.52 O ATOM 733 CB HIS A 64 -1.479 16.561 -0.929 1.00 0.38 C ATOM 734 CG HIS A 64 -2.760 15.811 -1.274 1.00 0.36 C ATOM 735 ND1 HIS A 64 -3.842 15.693 -0.421 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.082 15.137 -2.436 1.00 0.34 C ATOM 737 CE1 HIS A 64 -4.792 14.968 -1.046 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.364 14.623 -2.258 1.00 0.36 N ATOM 0 H HIS A 64 0.474 17.951 -0.424 1.00 0.33 H new ATOM 0 HA HIS A 64 -1.047 17.531 -2.796 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.648 15.862 -1.022 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.535 16.852 0.120 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -2.460 15.030 -3.312 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -5.753 14.707 -0.627 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -4.887 14.075 -2.941 1.00 0.36 H new ATOM 746 N PRO A 65 -2.959 19.125 -2.749 1.00 0.51 N ATOM 747 CA PRO A 65 -4.038 20.137 -2.828 1.00 0.73 C ATOM 748 C PRO A 65 -5.107 19.967 -1.744 1.00 0.90 C ATOM 749 O PRO A 65 -5.876 20.885 -1.458 1.00 1.46 O ATOM 750 CB PRO A 65 -4.634 19.895 -4.221 1.00 0.96 C ATOM 751 CG PRO A 65 -3.509 19.322 -5.007 1.00 0.81 C ATOM 752 CD PRO A 65 -2.752 18.457 -4.046 1.00 0.55 C ATOM 0 HA PRO A 65 -3.658 21.147 -2.672 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.480 19.209 -4.178 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -4.998 20.822 -4.665 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -3.877 18.741 -5.853 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -2.873 20.108 -5.413 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -3.134 17.436 -4.038 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.695 18.400 -4.304 1.00 0.55 H new ATOM 760 N GLY A 66 -5.126 18.781 -1.135 1.00 1.08 N ATOM 761 CA GLY A 66 -6.116 18.450 -0.119 1.00 1.38 C ATOM 762 C GLY A 66 -5.795 19.052 1.234 1.00 1.38 C ATOM 763 O GLY A 66 -6.222 18.538 2.275 1.00 2.03 O ATOM 0 H GLY A 66 -4.462 18.032 -1.332 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -7.095 18.801 -0.445 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.182 17.366 -0.023 1.00 1.38 H new ATOM 767 N GLY A 67 -5.026 20.130 1.210 1.00 1.25 N ATOM 768 CA GLY A 67 -4.726 20.885 2.403 1.00 1.70 C ATOM 769 C GLY A 67 -3.748 20.191 3.322 1.00 1.24 C ATOM 770 O GLY A 67 -2.536 20.316 3.159 1.00 1.66 O ATOM 0 H GLY A 67 -4.596 20.500 0.362 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -4.319 21.855 2.117 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -5.652 21.075 2.946 1.00 1.70 H new ATOM 774 N GLU A 68 -4.298 19.446 4.269 1.00 1.38 N ATOM 775 CA GLU A 68 -3.541 18.826 5.344 1.00 1.18 C ATOM 776 C GLU A 68 -4.546 18.188 6.295 1.00 0.94 C ATOM 777 O GLU A 68 -4.643 16.967 6.443 1.00 0.98 O ATOM 778 CB GLU A 68 -2.691 19.893 6.066 1.00 1.50 C ATOM 779 CG GLU A 68 -1.764 19.354 7.145 1.00 1.48 C ATOM 780 CD GLU A 68 -2.342 19.488 8.539 1.00 2.09 C ATOM 781 OE1 GLU A 68 -2.427 20.628 9.047 1.00 2.25 O ATOM 782 OE2 GLU A 68 -2.705 18.457 9.136 1.00 2.88 O ATOM 0 H GLU A 68 -5.299 19.253 4.312 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.858 18.068 4.962 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -2.092 20.422 5.324 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.361 20.626 6.516 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -1.553 18.304 6.944 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.813 19.885 7.099 1.00 1.48 H new ATOM 789 N GLU A 69 -5.348 19.085 6.864 1.00 0.91 N ATOM 790 CA GLU A 69 -6.281 18.799 7.949 1.00 0.84 C ATOM 791 C GLU A 69 -7.260 17.684 7.609 1.00 0.75 C ATOM 792 O GLU A 69 -7.553 16.828 8.445 1.00 0.78 O ATOM 793 CB GLU A 69 -7.036 20.089 8.285 1.00 0.97 C ATOM 794 CG GLU A 69 -8.068 19.936 9.383 1.00 1.64 C ATOM 795 CD GLU A 69 -8.138 21.158 10.269 1.00 1.97 C ATOM 796 OE1 GLU A 69 -8.851 22.118 9.917 1.00 2.27 O ATOM 797 OE2 GLU A 69 -7.455 21.166 11.316 1.00 2.63 O ATOM 0 H GLU A 69 -5.366 20.062 6.572 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.710 18.448 8.808 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -6.316 20.851 8.582 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -7.531 20.452 7.384 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -9.046 19.754 8.938 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -7.826 19.063 9.989 1.00 1.64 H new ATOM 804 N VAL A 70 -7.758 17.695 6.376 1.00 0.79 N ATOM 805 CA VAL A 70 -8.834 16.796 5.973 1.00 0.86 C ATOM 806 C VAL A 70 -8.271 15.476 5.449 1.00 0.82 C ATOM 807 O VAL A 70 -9.013 14.596 5.024 1.00 1.01 O ATOM 808 CB VAL A 70 -9.747 17.454 4.906 1.00 1.09 C ATOM 809 CG1 VAL A 70 -11.048 16.673 4.730 1.00 1.96 C ATOM 810 CG2 VAL A 70 -10.041 18.905 5.276 1.00 1.41 C ATOM 0 H VAL A 70 -7.432 18.318 5.637 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.439 16.590 6.856 1.00 0.86 H new ATOM 0 HB VAL A 70 -9.215 17.436 3.955 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -11.666 17.160 3.975 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -10.821 15.655 4.412 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -11.587 16.645 5.677 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -10.683 19.351 4.516 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -10.544 18.939 6.242 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -9.106 19.462 5.334 1.00 1.41 H new ATOM 820 N LEU A 71 -6.960 15.330 5.498 1.00 0.72 N ATOM 821 CA LEU A 71 -6.339 14.068 5.150 1.00 0.74 C ATOM 822 C LEU A 71 -6.356 13.150 6.362 1.00 0.70 C ATOM 823 O LEU A 71 -6.661 11.958 6.270 1.00 0.77 O ATOM 824 CB LEU A 71 -4.896 14.284 4.676 1.00 0.84 C ATOM 825 CG LEU A 71 -4.747 15.070 3.373 1.00 1.10 C ATOM 826 CD1 LEU A 71 -3.281 15.381 3.103 1.00 1.62 C ATOM 827 CD2 LEU A 71 -5.340 14.271 2.227 1.00 1.69 C ATOM 0 H LEU A 71 -6.309 16.065 5.774 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.900 13.611 4.335 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.348 14.806 5.460 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.423 13.310 4.550 1.00 0.84 H new ATOM 0 HG LEU A 71 -5.283 16.015 3.464 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -3.193 15.941 2.172 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -2.878 15.975 3.923 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.721 14.450 3.021 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -5.233 14.832 1.299 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -4.816 13.319 2.138 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -6.397 14.087 2.420 1.00 1.69 H new ATOM 839 N ARG A 72 -6.060 13.766 7.504 1.00 0.70 N ATOM 840 CA ARG A 72 -5.800 13.067 8.760 1.00 0.78 C ATOM 841 C ARG A 72 -6.951 12.163 9.187 1.00 0.92 C ATOM 842 O ARG A 72 -6.743 11.137 9.825 1.00 1.03 O ATOM 843 CB ARG A 72 -5.526 14.099 9.856 1.00 0.77 C ATOM 844 CG ARG A 72 -4.498 15.144 9.447 1.00 1.42 C ATOM 845 CD ARG A 72 -4.185 16.111 10.577 1.00 1.49 C ATOM 846 NE ARG A 72 -5.388 16.726 11.140 1.00 2.11 N ATOM 847 CZ ARG A 72 -5.500 18.031 11.392 1.00 2.48 C ATOM 848 NH1 ARG A 72 -4.560 18.871 10.978 1.00 2.24 N ATOM 849 NH2 ARG A 72 -6.573 18.501 12.020 1.00 3.47 N ATOM 0 H ARG A 72 -5.993 14.781 7.584 1.00 0.70 H new ATOM 0 HA ARG A 72 -4.934 12.424 8.603 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -6.459 14.598 10.118 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -5.177 13.585 10.752 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -3.581 14.646 9.132 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.870 15.701 8.587 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -3.649 15.582 11.365 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -3.520 16.892 10.208 1.00 1.49 H new ATOM 0 HE ARG A 72 -6.184 16.124 11.351 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -3.751 18.519 10.466 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -4.647 19.869 11.171 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -7.314 17.863 12.311 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -6.655 19.500 12.211 1.00 3.47 H new ATOM 863 N GLU A 73 -8.168 12.585 8.835 1.00 1.13 N ATOM 864 CA GLU A 73 -9.396 11.951 9.311 1.00 1.55 C ATOM 865 C GLU A 73 -9.661 10.639 8.573 1.00 1.28 C ATOM 866 O GLU A 73 -10.323 9.744 9.092 1.00 1.60 O ATOM 867 CB GLU A 73 -10.564 12.930 9.129 1.00 1.97 C ATOM 868 CG GLU A 73 -11.858 12.486 9.795 1.00 2.63 C ATOM 869 CD GLU A 73 -12.909 13.578 9.824 1.00 3.18 C ATOM 870 OE1 GLU A 73 -12.576 14.718 10.214 1.00 3.55 O ATOM 871 OE2 GLU A 73 -14.072 13.301 9.464 1.00 3.65 O ATOM 0 H GLU A 73 -8.328 13.376 8.212 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.289 11.708 10.368 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.276 13.901 9.531 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.746 13.068 8.063 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.255 11.620 9.266 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -11.645 12.166 10.815 1.00 2.63 H new ATOM 878 N GLN A 74 -9.138 10.557 7.350 1.00 0.77 N ATOM 879 CA GLN A 74 -9.314 9.388 6.485 1.00 0.62 C ATOM 880 C GLN A 74 -8.108 8.467 6.590 1.00 0.56 C ATOM 881 O GLN A 74 -8.165 7.295 6.220 1.00 0.64 O ATOM 882 CB GLN A 74 -9.481 9.841 5.031 1.00 0.63 C ATOM 883 CG GLN A 74 -10.895 10.272 4.657 1.00 0.76 C ATOM 884 CD GLN A 74 -11.399 11.458 5.456 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.042 11.299 6.491 1.00 1.57 O ATOM 886 NE2 GLN A 74 -11.108 12.656 4.978 1.00 1.68 N ATOM 0 H GLN A 74 -8.579 11.300 6.929 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.204 8.847 6.806 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.801 10.672 4.843 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.178 9.026 4.374 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.921 10.522 3.596 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -11.573 9.431 4.804 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -10.572 12.744 4.115 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -11.420 13.492 5.472 1.00 1.68 H new ATOM 895 N ALA A 75 -7.009 9.032 7.079 1.00 0.55 N ATOM 896 CA ALA A 75 -5.757 8.308 7.226 1.00 0.58 C ATOM 897 C ALA A 75 -5.874 7.225 8.284 1.00 0.52 C ATOM 898 O ALA A 75 -6.500 7.424 9.323 1.00 0.70 O ATOM 899 CB ALA A 75 -4.636 9.272 7.579 1.00 0.70 C ATOM 0 H ALA A 75 -6.964 10.004 7.384 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.526 7.827 6.275 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.702 8.720 7.687 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.530 10.013 6.786 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -4.871 9.775 8.517 1.00 0.70 H new ATOM 905 N GLY A 76 -5.259 6.087 8.012 1.00 0.49 N ATOM 906 CA GLY A 76 -5.336 4.959 8.914 1.00 0.58 C ATOM 907 C GLY A 76 -6.123 3.814 8.315 1.00 0.48 C ATOM 908 O GLY A 76 -5.913 2.656 8.670 1.00 0.72 O ATOM 0 H GLY A 76 -4.702 5.923 7.173 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.329 4.620 9.159 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -5.803 5.272 9.848 1.00 0.58 H new ATOM 912 N GLY A 77 -7.026 4.133 7.398 1.00 0.42 N ATOM 913 CA GLY A 77 -7.765 3.104 6.704 1.00 0.52 C ATOM 914 C GLY A 77 -7.976 3.470 5.257 1.00 0.44 C ATOM 915 O GLY A 77 -7.195 4.238 4.696 1.00 0.78 O ATOM 0 H GLY A 77 -7.258 5.088 7.124 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.226 2.159 6.768 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.730 2.955 7.189 1.00 0.52 H new ATOM 919 N ASP A 78 -9.015 2.926 4.642 1.00 0.55 N ATOM 920 CA ASP A 78 -9.293 3.229 3.248 1.00 0.72 C ATOM 921 C ASP A 78 -9.882 4.627 3.128 1.00 0.67 C ATOM 922 O ASP A 78 -10.589 5.085 4.026 1.00 1.04 O ATOM 923 CB ASP A 78 -10.237 2.197 2.633 1.00 1.14 C ATOM 924 CG ASP A 78 -10.108 2.111 1.125 1.00 1.82 C ATOM 925 OD1 ASP A 78 -10.377 3.118 0.447 1.00 2.59 O ATOM 926 OD2 ASP A 78 -9.738 1.040 0.612 1.00 2.28 O ATOM 0 H ASP A 78 -9.672 2.280 5.080 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.354 3.189 2.696 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -10.032 1.219 3.067 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -11.265 2.451 2.892 1.00 1.14 H new ATOM 931 N ALA A 79 -9.615 5.287 2.018 1.00 0.54 N ATOM 932 CA ALA A 79 -10.118 6.630 1.795 1.00 0.58 C ATOM 933 C ALA A 79 -10.853 6.724 0.456 1.00 0.56 C ATOM 934 O ALA A 79 -11.125 7.820 -0.042 1.00 0.67 O ATOM 935 CB ALA A 79 -8.978 7.633 1.861 1.00 0.73 C ATOM 0 H ALA A 79 -9.051 4.915 1.254 1.00 0.54 H new ATOM 0 HA ALA A 79 -10.834 6.867 2.582 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.367 8.637 1.692 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.508 7.586 2.844 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.240 7.396 1.095 1.00 0.73 H new ATOM 941 N THR A 80 -11.194 5.567 -0.116 1.00 0.54 N ATOM 942 CA THR A 80 -11.928 5.511 -1.379 1.00 0.60 C ATOM 943 C THR A 80 -13.256 6.253 -1.271 1.00 0.65 C ATOM 944 O THR A 80 -13.821 6.680 -2.276 1.00 0.84 O ATOM 945 CB THR A 80 -12.199 4.051 -1.826 1.00 0.66 C ATOM 946 OG1 THR A 80 -12.787 4.030 -3.136 1.00 0.84 O ATOM 947 CG2 THR A 80 -13.126 3.331 -0.851 1.00 0.70 C ATOM 0 H THR A 80 -10.972 4.653 0.279 1.00 0.54 H new ATOM 0 HA THR A 80 -11.299 5.993 -2.127 1.00 0.60 H new ATOM 0 HB THR A 80 -11.240 3.533 -1.843 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.467 3.243 -3.625 1.00 0.84 H new ATOM 0 HG21 THR A 80 -13.294 2.311 -1.195 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.668 3.310 0.138 1.00 0.70 H new ATOM 0 HG23 THR A 80 -14.079 3.858 -0.798 1.00 0.70 H new ATOM 955 N GLU A 81 -13.727 6.415 -0.038 1.00 0.65 N ATOM 956 CA GLU A 81 -14.987 7.086 0.243 1.00 0.79 C ATOM 957 C GLU A 81 -15.035 8.444 -0.449 1.00 0.85 C ATOM 958 O GLU A 81 -15.913 8.721 -1.251 1.00 0.98 O ATOM 959 CB GLU A 81 -15.133 7.264 1.761 1.00 0.91 C ATOM 960 CG GLU A 81 -16.538 7.634 2.213 1.00 1.54 C ATOM 961 CD GLU A 81 -17.375 6.418 2.561 1.00 1.82 C ATOM 962 OE1 GLU A 81 -17.273 5.921 3.698 1.00 2.27 O ATOM 963 OE2 GLU A 81 -18.139 5.948 1.687 1.00 2.27 O ATOM 0 H GLU A 81 -13.242 6.083 0.795 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.809 6.480 -0.137 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -14.837 6.338 2.254 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -14.441 8.038 2.093 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -16.476 8.289 3.082 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -17.034 8.198 1.423 1.00 1.54 H new ATOM 970 N ASN A 82 -14.050 9.276 -0.129 1.00 0.82 N ATOM 971 CA ASN A 82 -13.958 10.632 -0.661 1.00 0.90 C ATOM 972 C ASN A 82 -13.751 10.603 -2.163 1.00 0.94 C ATOM 973 O ASN A 82 -14.254 11.451 -2.897 1.00 1.09 O ATOM 974 CB ASN A 82 -12.800 11.360 0.016 1.00 0.93 C ATOM 975 CG ASN A 82 -12.949 11.344 1.521 1.00 1.70 C ATOM 976 OD1 ASN A 82 -12.525 10.398 2.178 1.00 2.41 O ATOM 977 ND2 ASN A 82 -13.545 12.387 2.077 1.00 2.40 N ATOM 0 H ASN A 82 -13.292 9.030 0.507 1.00 0.82 H new ATOM 0 HA ASN A 82 -14.890 11.160 -0.457 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -11.858 10.889 -0.264 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.759 12.390 -0.337 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -13.666 12.425 3.089 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -13.883 13.152 1.493 1.00 2.40 H new ATOM 984 N PHE A 83 -12.985 9.602 -2.590 1.00 0.85 N ATOM 985 CA PHE A 83 -12.687 9.369 -3.996 1.00 0.89 C ATOM 986 C PHE A 83 -13.968 9.063 -4.782 1.00 1.02 C ATOM 987 O PHE A 83 -14.047 9.330 -5.980 1.00 1.17 O ATOM 988 CB PHE A 83 -11.667 8.213 -4.102 1.00 0.81 C ATOM 989 CG PHE A 83 -11.387 7.741 -5.501 1.00 0.86 C ATOM 990 CD1 PHE A 83 -10.439 8.370 -6.289 1.00 0.97 C ATOM 991 CD2 PHE A 83 -12.069 6.652 -6.019 1.00 1.20 C ATOM 992 CE1 PHE A 83 -10.179 7.923 -7.570 1.00 1.06 C ATOM 993 CE2 PHE A 83 -11.816 6.203 -7.297 1.00 1.33 C ATOM 994 CZ PHE A 83 -10.869 6.838 -8.075 1.00 1.13 C ATOM 0 H PHE A 83 -12.551 8.925 -1.962 1.00 0.85 H new ATOM 0 HA PHE A 83 -12.254 10.268 -4.435 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.729 8.533 -3.648 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -12.034 7.370 -3.516 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -9.897 9.219 -5.899 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -12.808 6.149 -5.414 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -9.437 8.421 -8.176 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -12.358 5.355 -7.689 1.00 1.33 H new ATOM 0 HZ PHE A 83 -10.668 6.487 -9.076 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.964 8.502 -4.094 1.00 1.00 N ATOM 1005 CA GLU A 84 -16.205 8.056 -4.731 1.00 1.14 C ATOM 1006 C GLU A 84 -17.407 8.935 -4.336 1.00 1.24 C ATOM 1007 O GLU A 84 -18.510 8.791 -4.873 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.444 6.586 -4.348 1.00 1.20 C ATOM 1009 CG GLU A 84 -16.925 6.363 -2.927 1.00 1.33 C ATOM 1010 CD GLU A 84 -17.092 4.891 -2.602 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -16.094 4.140 -2.686 1.00 2.19 O ATOM 1012 OE2 GLU A 84 -18.230 4.479 -2.289 1.00 2.30 O ATOM 0 H GLU A 84 -14.934 8.345 -3.087 1.00 1.00 H new ATOM 0 HA GLU A 84 -16.104 8.149 -5.812 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -17.177 6.162 -5.034 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -15.516 6.033 -4.492 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -16.214 6.808 -2.231 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -17.876 6.875 -2.783 1.00 1.33 H new ATOM 1019 N ASP A 85 -17.169 9.832 -3.374 1.00 1.18 N ATOM 1020 CA ASP A 85 -18.211 10.703 -2.804 1.00 1.34 C ATOM 1021 C ASP A 85 -18.169 12.097 -3.428 1.00 1.45 C ATOM 1022 O ASP A 85 -19.208 12.682 -3.720 1.00 1.90 O ATOM 1023 CB ASP A 85 -18.012 10.816 -1.285 1.00 1.35 C ATOM 1024 CG ASP A 85 -19.093 11.620 -0.582 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -20.128 11.029 -0.197 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -18.894 12.835 -0.372 1.00 1.81 O ATOM 0 H ASP A 85 -16.246 9.978 -2.965 1.00 1.18 H new ATOM 0 HA ASP A 85 -19.183 10.260 -3.021 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -17.981 9.814 -0.857 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -17.044 11.277 -1.088 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.963 12.641 -3.600 1.00 1.34 N ATOM 1032 CA VAL A 86 -16.804 13.973 -4.194 1.00 1.50 C ATOM 1033 C VAL A 86 -15.834 13.951 -5.381 1.00 1.26 C ATOM 1034 O VAL A 86 -15.811 14.882 -6.189 1.00 1.87 O ATOM 1035 CB VAL A 86 -16.350 15.039 -3.159 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -17.457 15.323 -2.152 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -15.083 14.604 -2.439 1.00 2.64 C ATOM 0 H VAL A 86 -16.088 12.186 -3.340 1.00 1.34 H new ATOM 0 HA VAL A 86 -17.793 14.259 -4.553 1.00 1.50 H new ATOM 0 HB VAL A 86 -16.133 15.957 -3.706 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -17.116 16.072 -1.438 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -18.338 15.695 -2.675 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -17.711 14.405 -1.622 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -14.791 15.371 -1.722 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -15.267 13.667 -1.914 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -14.282 14.462 -3.165 1.00 2.64 H new ATOM 1047 N GLY A 87 -15.027 12.897 -5.478 1.00 1.38 N ATOM 1048 CA GLY A 87 -14.223 12.686 -6.669 1.00 1.82 C ATOM 1049 C GLY A 87 -12.732 12.886 -6.448 1.00 1.46 C ATOM 1050 O GLY A 87 -12.277 13.108 -5.325 1.00 2.23 O ATOM 0 H GLY A 87 -14.916 12.187 -4.754 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -14.394 11.674 -7.036 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -14.560 13.369 -7.449 1.00 1.82 H new ATOM 1054 N HIS A 88 -11.989 12.806 -7.544 1.00 1.05 N ATOM 1055 CA HIS A 88 -10.536 12.941 -7.548 1.00 0.81 C ATOM 1056 C HIS A 88 -10.118 13.265 -8.981 1.00 0.89 C ATOM 1057 O HIS A 88 -10.929 13.784 -9.748 1.00 1.32 O ATOM 1058 CB HIS A 88 -9.882 11.629 -7.067 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.531 11.780 -6.421 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -7.457 10.924 -6.650 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -8.099 12.680 -5.498 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -6.433 11.322 -5.870 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.788 12.367 -5.176 1.00 0.48 N ATOM 0 H HIS A 88 -12.384 12.643 -8.470 1.00 1.05 H new ATOM 0 HA HIS A 88 -10.213 13.733 -6.872 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -10.554 11.147 -6.357 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -9.785 10.957 -7.920 1.00 0.89 H new ATOM 0 HD2 HIS A 88 -8.676 13.496 -5.088 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -5.464 10.847 -5.826 1.00 0.98 H new ATOM 0 HE2 HIS A 88 -6.201 12.869 -4.510 1.00 0.48 H new ATOM 1071 N SER A 89 -8.885 12.970 -9.361 1.00 0.81 N ATOM 1072 CA SER A 89 -8.483 13.128 -10.745 1.00 1.00 C ATOM 1073 C SER A 89 -7.538 12.015 -11.179 1.00 1.00 C ATOM 1074 O SER A 89 -6.707 11.565 -10.383 1.00 1.43 O ATOM 1075 CB SER A 89 -7.850 14.486 -10.968 1.00 1.22 C ATOM 1076 OG SER A 89 -7.318 14.609 -12.278 1.00 1.06 O ATOM 0 H SER A 89 -8.155 12.624 -8.738 1.00 0.81 H new ATOM 0 HA SER A 89 -9.380 13.061 -11.361 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.594 15.266 -10.803 1.00 1.22 H new ATOM 0 HB3 SER A 89 -7.057 14.642 -10.237 1.00 1.22 H new ATOM 0 HG SER A 89 -6.919 15.498 -12.387 1.00 1.06 H new ATOM 1082 N THR A 90 -7.662 11.580 -12.428 1.00 1.14 N ATOM 1083 CA THR A 90 -6.855 10.484 -12.958 1.00 1.15 C ATOM 1084 C THR A 90 -5.354 10.796 -12.895 1.00 1.15 C ATOM 1085 O THR A 90 -4.531 9.888 -12.764 1.00 1.72 O ATOM 1086 CB THR A 90 -7.262 10.165 -14.408 1.00 1.27 C ATOM 1087 OG1 THR A 90 -8.691 10.089 -14.502 1.00 1.45 O ATOM 1088 CG2 THR A 90 -6.658 8.846 -14.863 1.00 1.49 C ATOM 0 H THR A 90 -8.321 11.974 -13.100 1.00 1.14 H new ATOM 0 HA THR A 90 -7.043 9.613 -12.330 1.00 1.15 H new ATOM 0 HB THR A 90 -6.888 10.961 -15.052 1.00 1.27 H new ATOM 0 HG1 THR A 90 -8.948 9.888 -15.426 1.00 1.45 H new ATOM 0 HG21 THR A 90 -6.960 8.643 -15.890 1.00 1.49 H new ATOM 0 HG22 THR A 90 -5.571 8.906 -14.809 1.00 1.49 H new ATOM 0 HG23 THR A 90 -7.009 8.042 -14.216 1.00 1.49 H new ATOM 1096 N ASP A 91 -5.015 12.084 -12.966 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.630 12.558 -12.827 1.00 0.97 C ATOM 1098 C ASP A 91 -2.946 11.866 -11.646 1.00 0.89 C ATOM 1099 O ASP A 91 -1.822 11.368 -11.739 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.664 14.077 -12.610 1.00 1.12 C ATOM 1101 CG ASP A 91 -2.292 14.716 -12.509 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -1.633 14.554 -11.468 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -1.894 15.418 -13.470 1.00 1.90 O ATOM 0 H ASP A 91 -5.691 12.832 -13.122 1.00 0.95 H new ATOM 0 HA ASP A 91 -3.062 12.322 -13.727 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -4.209 14.539 -13.433 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -4.221 14.291 -11.698 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.689 11.791 -10.553 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.176 11.317 -9.279 1.00 0.90 C ATOM 1110 C ALA A 92 -3.029 9.799 -9.229 1.00 0.82 C ATOM 1111 O ALA A 92 -2.568 9.255 -8.233 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.099 11.780 -8.176 1.00 0.97 C ATOM 0 H ALA A 92 -4.673 12.060 -10.526 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.177 11.734 -9.148 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -3.722 11.429 -7.215 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.144 12.869 -8.172 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.097 11.376 -8.344 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.429 9.120 -10.291 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.327 7.663 -10.357 1.00 0.73 C ATOM 1120 C ARG A 93 -1.946 7.248 -10.869 1.00 0.69 C ATOM 1121 O ARG A 93 -1.537 6.094 -10.758 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.418 7.112 -11.275 1.00 0.82 C ATOM 1123 CG ARG A 93 -5.829 7.358 -10.776 1.00 1.64 C ATOM 1124 CD ARG A 93 -6.855 6.861 -11.780 1.00 1.70 C ATOM 1125 NE ARG A 93 -6.679 5.445 -12.100 1.00 2.71 N ATOM 1126 CZ ARG A 93 -7.675 4.619 -12.429 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -8.924 5.068 -12.494 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -7.417 3.346 -12.704 1.00 4.15 N ATOM 0 H ARG A 93 -3.829 9.552 -11.124 1.00 0.75 H new ATOM 0 HA ARG A 93 -3.461 7.253 -9.356 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -4.309 7.562 -12.262 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -4.269 6.039 -11.396 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -5.974 6.852 -9.821 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -5.975 8.423 -10.598 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -7.857 7.019 -11.381 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -6.780 7.450 -12.694 1.00 1.70 H new ATOM 0 HE ARG A 93 -5.734 5.063 -12.070 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -9.125 6.047 -12.292 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -9.682 4.433 -12.746 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -6.458 3.000 -12.664 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -8.177 2.714 -12.955 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.241 8.228 -11.421 1.00 0.60 N ATOM 1143 CA GLU A 94 0.044 8.022 -12.085 1.00 0.60 C ATOM 1144 C GLU A 94 1.150 8.537 -11.176 1.00 0.58 C ATOM 1145 O GLU A 94 2.283 8.063 -11.181 1.00 0.74 O ATOM 1146 CB GLU A 94 0.028 8.783 -13.424 1.00 0.68 C ATOM 1147 CG GLU A 94 1.344 8.769 -14.196 1.00 1.19 C ATOM 1148 CD GLU A 94 1.733 7.396 -14.723 1.00 1.38 C ATOM 1149 OE1 GLU A 94 1.862 6.458 -13.922 1.00 1.62 O ATOM 1150 OE2 GLU A 94 1.942 7.261 -15.948 1.00 2.11 O ATOM 0 H GLU A 94 -1.548 9.201 -11.421 1.00 0.60 H new ATOM 0 HA GLU A 94 0.221 6.965 -12.283 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -0.750 8.356 -14.057 1.00 0.68 H new ATOM 0 HB3 GLU A 94 -0.250 9.819 -13.231 1.00 0.68 H new ATOM 0 HG2 GLU A 94 1.270 9.462 -15.034 1.00 1.19 H new ATOM 0 HG3 GLU A 94 2.139 9.137 -13.547 1.00 1.19 H new ATOM 1157 N MET A 95 0.769 9.539 -10.393 1.00 0.48 N ATOM 1158 CA MET A 95 1.650 10.190 -9.436 1.00 0.49 C ATOM 1159 C MET A 95 1.823 9.327 -8.193 1.00 0.42 C ATOM 1160 O MET A 95 2.862 9.356 -7.536 1.00 0.50 O ATOM 1161 CB MET A 95 1.033 11.528 -9.026 1.00 0.53 C ATOM 1162 CG MET A 95 1.919 12.366 -8.117 1.00 0.65 C ATOM 1163 SD MET A 95 3.151 13.320 -9.029 1.00 1.09 S ATOM 1164 CE MET A 95 2.091 14.327 -10.069 1.00 1.75 C ATOM 0 H MET A 95 -0.174 9.926 -10.407 1.00 0.48 H new ATOM 0 HA MET A 95 2.625 10.342 -9.900 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.806 12.102 -9.924 1.00 0.53 H new ATOM 0 HB3 MET A 95 0.086 11.340 -8.520 1.00 0.53 H new ATOM 0 HG2 MET A 95 1.296 13.046 -7.536 1.00 0.65 H new ATOM 0 HG3 MET A 95 2.425 11.712 -7.407 1.00 0.65 H new ATOM 0 HE1 MET A 95 2.582 15.278 -10.276 1.00 1.75 H new ATOM 0 HE2 MET A 95 1.900 13.805 -11.007 1.00 1.75 H new ATOM 0 HE3 MET A 95 1.147 14.510 -9.557 1.00 1.75 H new ATOM 1174 N SER A 96 0.775 8.576 -7.875 1.00 0.34 N ATOM 1175 CA SER A 96 0.643 7.968 -6.558 1.00 0.31 C ATOM 1176 C SER A 96 1.347 6.635 -6.409 1.00 0.31 C ATOM 1177 O SER A 96 1.467 6.085 -5.319 1.00 0.33 O ATOM 1178 CB SER A 96 -0.826 7.783 -6.210 1.00 0.36 C ATOM 1179 OG SER A 96 -1.476 6.978 -7.176 1.00 1.13 O ATOM 0 H SER A 96 0.004 8.374 -8.512 1.00 0.34 H new ATOM 0 HA SER A 96 1.130 8.662 -5.873 1.00 0.31 H new ATOM 0 HB2 SER A 96 -0.916 7.322 -5.226 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.315 8.755 -6.152 1.00 0.36 H new ATOM 0 HG SER A 96 -2.020 7.545 -7.762 1.00 1.13 H new ATOM 1185 N LYS A 97 1.788 6.114 -7.568 1.00 0.36 N ATOM 1186 CA LYS A 97 2.360 4.780 -7.664 1.00 0.43 C ATOM 1187 C LYS A 97 3.516 4.618 -6.697 1.00 0.41 C ATOM 1188 O LYS A 97 3.660 3.585 -6.071 1.00 0.48 O ATOM 1189 CB LYS A 97 2.837 4.504 -9.091 1.00 0.56 C ATOM 1190 CG LYS A 97 1.755 4.680 -10.146 1.00 0.83 C ATOM 1191 CD LYS A 97 2.277 4.373 -11.539 1.00 1.15 C ATOM 1192 CE LYS A 97 3.557 5.142 -11.833 1.00 1.56 C ATOM 1193 NZ LYS A 97 3.974 5.017 -13.253 1.00 2.15 N ATOM 0 H LYS A 97 1.753 6.613 -8.457 1.00 0.36 H new ATOM 0 HA LYS A 97 1.583 4.062 -7.403 1.00 0.43 H new ATOM 0 HB2 LYS A 97 3.668 5.171 -9.322 1.00 0.56 H new ATOM 0 HB3 LYS A 97 3.221 3.485 -9.145 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.915 4.024 -9.919 1.00 0.83 H new ATOM 0 HG3 LYS A 97 1.379 5.703 -10.115 1.00 0.83 H new ATOM 0 HD2 LYS A 97 2.464 3.303 -11.632 1.00 1.15 H new ATOM 0 HD3 LYS A 97 1.518 4.629 -12.278 1.00 1.15 H new ATOM 0 HE2 LYS A 97 3.410 6.195 -11.591 1.00 1.56 H new ATOM 0 HE3 LYS A 97 4.355 4.775 -11.188 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 4.908 5.456 -13.380 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 4.025 4.011 -13.512 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 3.281 5.497 -13.862 1.00 2.15 H new ATOM 1207 N THR A 98 4.329 5.664 -6.581 1.00 0.40 N ATOM 1208 CA THR A 98 5.569 5.607 -5.812 1.00 0.46 C ATOM 1209 C THR A 98 5.307 5.736 -4.312 1.00 0.41 C ATOM 1210 O THR A 98 6.238 5.768 -3.506 1.00 0.48 O ATOM 1211 CB THR A 98 6.505 6.738 -6.265 1.00 0.59 C ATOM 1212 OG1 THR A 98 6.014 7.279 -7.499 1.00 1.01 O ATOM 1213 CG2 THR A 98 7.932 6.237 -6.465 1.00 1.15 C ATOM 0 H THR A 98 4.149 6.570 -7.014 1.00 0.40 H new ATOM 0 HA THR A 98 6.033 4.637 -5.993 1.00 0.46 H new ATOM 0 HB THR A 98 6.523 7.503 -5.489 1.00 0.59 H new ATOM 0 HG1 THR A 98 5.416 8.032 -7.311 1.00 1.01 H new ATOM 0 HG21 THR A 98 8.566 7.064 -6.785 1.00 1.15 H new ATOM 0 HG22 THR A 98 8.310 5.832 -5.526 1.00 1.15 H new ATOM 0 HG23 THR A 98 7.940 5.457 -7.226 1.00 1.15 H new ATOM 1221 N PHE A 99 4.033 5.826 -3.959 1.00 0.32 N ATOM 1222 CA PHE A 99 3.611 5.942 -2.574 1.00 0.32 C ATOM 1223 C PHE A 99 2.999 4.631 -2.088 1.00 0.30 C ATOM 1224 O PHE A 99 2.697 4.476 -0.905 1.00 0.31 O ATOM 1225 CB PHE A 99 2.592 7.076 -2.445 1.00 0.34 C ATOM 1226 CG PHE A 99 3.148 8.426 -2.798 1.00 0.36 C ATOM 1227 CD1 PHE A 99 4.010 9.081 -1.937 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.804 9.038 -3.992 1.00 0.77 C ATOM 1229 CE1 PHE A 99 4.522 10.322 -2.258 1.00 0.90 C ATOM 1230 CE2 PHE A 99 3.312 10.278 -4.319 1.00 0.81 C ATOM 1231 CZ PHE A 99 4.177 10.921 -3.448 1.00 0.47 C ATOM 0 H PHE A 99 3.263 5.820 -4.627 1.00 0.32 H new ATOM 0 HA PHE A 99 4.481 6.164 -1.957 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.740 6.863 -3.091 1.00 0.34 H new ATOM 0 HB3 PHE A 99 2.218 7.103 -1.422 1.00 0.34 H new ATOM 0 HD1 PHE A 99 4.286 8.616 -1.002 1.00 0.88 H new ATOM 0 HD2 PHE A 99 2.131 8.539 -4.674 1.00 0.77 H new ATOM 0 HE1 PHE A 99 5.193 10.823 -1.576 1.00 0.90 H new ATOM 0 HE2 PHE A 99 3.036 10.747 -5.252 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.580 11.890 -3.703 1.00 0.47 H new ATOM 1241 N ILE A 100 2.806 3.688 -3.014 1.00 0.32 N ATOM 1242 CA ILE A 100 2.180 2.418 -2.679 1.00 0.32 C ATOM 1243 C ILE A 100 3.203 1.492 -2.043 1.00 0.34 C ATOM 1244 O ILE A 100 3.930 0.791 -2.748 1.00 0.43 O ATOM 1245 CB ILE A 100 1.595 1.691 -3.905 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.761 2.644 -4.765 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.765 0.513 -3.429 1.00 0.42 C ATOM 1248 CD1 ILE A 100 0.170 2.005 -6.006 1.00 0.38 C ATOM 0 H ILE A 100 3.074 3.784 -3.993 1.00 0.32 H new ATOM 0 HA ILE A 100 1.365 2.653 -1.995 1.00 0.32 H new ATOM 0 HB ILE A 100 2.409 1.327 -4.531 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.049 3.049 -4.158 1.00 0.32 H new ATOM 0 HG13 ILE A 100 1.386 3.485 -5.065 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.346 -0.008 -4.290 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.396 -0.171 -2.862 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.044 0.872 -2.793 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.406 2.748 -6.559 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.973 1.625 -6.637 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.483 1.182 -5.716 1.00 0.38 H new ATOM 1260 N ILE A 101 3.247 1.479 -0.722 1.00 0.32 N ATOM 1261 CA ILE A 101 4.287 0.758 0.001 1.00 0.35 C ATOM 1262 C ILE A 101 3.959 -0.729 0.140 1.00 0.36 C ATOM 1263 O ILE A 101 4.833 -1.539 0.456 1.00 0.43 O ATOM 1264 CB ILE A 101 4.516 1.370 1.395 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.196 1.429 2.158 1.00 0.33 C ATOM 1266 CG2 ILE A 101 5.142 2.757 1.279 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.319 2.044 3.527 1.00 0.38 C ATOM 0 H ILE A 101 2.574 1.960 -0.125 1.00 0.32 H new ATOM 0 HA ILE A 101 5.201 0.852 -0.586 1.00 0.35 H new ATOM 0 HB ILE A 101 5.210 0.738 1.949 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.474 2.001 1.575 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.797 0.419 2.257 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.295 3.171 2.275 1.00 0.46 H new ATOM 0 HG22 ILE A 101 6.101 2.682 0.766 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.478 3.410 0.713 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.342 2.053 4.011 1.00 0.38 H new ATOM 0 HD12 ILE A 101 4.016 1.459 4.127 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.688 3.066 3.435 1.00 0.38 H new ATOM 1279 N GLY A 102 2.700 -1.080 -0.083 1.00 0.33 N ATOM 1280 CA GLY A 102 2.304 -2.473 -0.056 1.00 0.39 C ATOM 1281 C GLY A 102 0.801 -2.623 -0.054 1.00 0.35 C ATOM 1282 O GLY A 102 0.089 -1.696 -0.437 1.00 0.35 O ATOM 0 H GLY A 102 1.945 -0.424 -0.282 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.721 -2.987 -0.922 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.719 -2.953 0.830 1.00 0.39 H new ATOM 1286 N GLU A 103 0.310 -3.779 0.372 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.126 -3.985 0.502 1.00 0.42 C ATOM 1288 C GLU A 103 -1.490 -4.513 1.885 1.00 0.37 C ATOM 1289 O GLU A 103 -0.664 -4.525 2.798 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.671 -4.912 -0.589 1.00 0.52 C ATOM 1291 CG GLU A 103 -1.593 -4.305 -1.984 1.00 0.74 C ATOM 1292 CD GLU A 103 -2.458 -5.027 -3.000 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -2.886 -6.165 -2.709 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -2.708 -4.470 -4.086 1.00 1.85 O ATOM 0 H GLU A 103 0.881 -4.584 0.632 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.597 -3.010 0.375 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -1.112 -5.848 -0.575 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.709 -5.157 -0.364 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -1.897 -3.259 -1.936 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -0.557 -4.320 -2.322 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.722 -4.960 2.030 1.00 0.40 N ATOM 1302 CA LEU A 104 -3.269 -5.291 3.334 1.00 0.42 C ATOM 1303 C LEU A 104 -3.092 -6.784 3.650 1.00 0.42 C ATOM 1304 O LEU A 104 -2.790 -7.571 2.757 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.739 -4.887 3.336 1.00 0.51 C ATOM 1306 CG LEU A 104 -5.360 -4.592 4.697 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -4.432 -3.730 5.538 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -6.695 -3.894 4.498 1.00 1.33 C ATOM 0 H LEU A 104 -3.369 -5.104 1.255 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.735 -4.750 4.115 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.851 -4.001 2.711 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -5.313 -5.685 2.864 1.00 0.51 H new ATOM 0 HG LEU A 104 -5.517 -5.531 5.227 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -4.896 -3.532 6.504 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -3.487 -4.252 5.689 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -4.247 -2.787 5.024 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -7.143 -3.681 5.469 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -6.540 -2.960 3.957 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -7.361 -4.539 3.925 1.00 1.33 H new ATOM 1320 N HIS A 105 -3.276 -7.173 4.913 1.00 0.48 N ATOM 1321 CA HIS A 105 -3.071 -8.568 5.333 1.00 0.53 C ATOM 1322 C HIS A 105 -4.106 -9.468 4.676 1.00 0.60 C ATOM 1323 O HIS A 105 -5.200 -9.024 4.401 1.00 0.64 O ATOM 1324 CB HIS A 105 -3.196 -8.704 6.854 1.00 0.68 C ATOM 1325 CG HIS A 105 -2.339 -9.787 7.434 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -2.846 -10.915 8.052 1.00 1.82 N ATOM 1327 CD2 HIS A 105 -0.991 -9.907 7.485 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -1.843 -11.675 8.458 1.00 2.41 C ATOM 1329 NE2 HIS A 105 -0.711 -11.085 8.125 1.00 2.37 N ATOM 0 H HIS A 105 -3.566 -6.547 5.664 1.00 0.48 H new ATOM 0 HA HIS A 105 -2.068 -8.866 5.027 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.930 -7.754 7.318 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -4.237 -8.902 7.108 1.00 0.68 H new ATOM 0 HD1 HIS A 105 -3.836 -11.127 8.175 1.00 1.82 H new ATOM 0 HD2 HIS A 105 -0.270 -9.204 7.094 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -1.935 -12.619 8.975 1.00 2.41 H new ATOM 1338 N PRO A 106 -3.762 -10.735 4.406 1.00 0.74 N ATOM 1339 CA PRO A 106 -4.685 -11.736 3.849 1.00 1.00 C ATOM 1340 C PRO A 106 -6.135 -11.647 4.349 1.00 1.18 C ATOM 1341 O PRO A 106 -7.085 -11.845 3.589 1.00 1.67 O ATOM 1342 CB PRO A 106 -4.045 -13.037 4.309 1.00 1.17 C ATOM 1343 CG PRO A 106 -2.581 -12.767 4.266 1.00 1.02 C ATOM 1344 CD PRO A 106 -2.404 -11.297 4.553 1.00 0.79 C ATOM 0 HA PRO A 106 -4.797 -11.611 2.772 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -4.370 -13.306 5.314 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -4.315 -13.866 3.655 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -2.054 -13.372 5.004 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -2.168 -13.023 3.290 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -2.010 -11.131 5.556 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -1.704 -10.836 3.856 1.00 0.79 H new ATOM 1352 N ASP A 107 -6.276 -11.358 5.637 1.00 1.16 N ATOM 1353 CA ASP A 107 -7.567 -11.344 6.316 1.00 1.47 C ATOM 1354 C ASP A 107 -8.274 -10.023 6.051 1.00 1.22 C ATOM 1355 O ASP A 107 -9.488 -9.961 5.882 1.00 1.47 O ATOM 1356 CB ASP A 107 -7.346 -11.502 7.828 1.00 1.90 C ATOM 1357 CG ASP A 107 -6.436 -12.662 8.189 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -6.960 -13.788 8.382 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -5.200 -12.470 8.262 1.00 3.31 O ATOM 0 H ASP A 107 -5.491 -11.125 6.245 1.00 1.16 H new ATOM 0 HA ASP A 107 -8.179 -12.164 5.942 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -6.920 -10.580 8.223 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -8.311 -11.642 8.316 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.470 -8.971 6.027 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.950 -7.597 5.951 1.00 1.11 C ATOM 1366 C ASP A 108 -8.078 -7.134 4.502 1.00 1.14 C ATOM 1367 O ASP A 108 -8.899 -6.277 4.180 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.954 -6.676 6.660 1.00 1.39 C ATOM 1369 CG ASP A 108 -6.714 -7.018 8.121 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -7.506 -6.581 8.977 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -5.703 -7.698 8.412 1.00 3.44 O ATOM 0 H ASP A 108 -6.453 -9.047 6.060 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.930 -7.556 6.426 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -6.002 -6.713 6.130 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -7.316 -5.650 6.594 1.00 1.39 H new ATOM 1376 N ARG A 109 -7.237 -7.713 3.649 1.00 0.99 N ATOM 1377 CA ARG A 109 -7.069 -7.296 2.260 1.00 1.18 C ATOM 1378 C ARG A 109 -8.398 -7.292 1.501 1.00 1.48 C ATOM 1379 O ARG A 109 -8.782 -6.267 0.942 1.00 1.98 O ATOM 1380 CB ARG A 109 -6.056 -8.214 1.556 1.00 1.11 C ATOM 1381 CG ARG A 109 -5.466 -7.640 0.280 1.00 1.45 C ATOM 1382 CD ARG A 109 -5.235 -8.726 -0.756 1.00 1.73 C ATOM 1383 NE ARG A 109 -4.542 -8.212 -1.938 1.00 2.25 N ATOM 1384 CZ ARG A 109 -4.607 -8.755 -3.152 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -5.303 -9.868 -3.363 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -3.950 -8.185 -4.153 1.00 3.35 N ATOM 0 H ARG A 109 -6.642 -8.500 3.909 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.692 -6.273 2.263 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -5.244 -8.437 2.248 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -6.544 -9.160 1.322 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -6.138 -6.884 -0.126 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -4.523 -7.142 0.504 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -4.649 -9.532 -0.313 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -6.192 -9.154 -1.054 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.967 -7.377 -1.824 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -5.795 -10.316 -2.590 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -5.345 -10.274 -4.298 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -3.403 -7.340 -3.988 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -3.992 -8.591 -5.088 1.00 3.35 H new