USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 23 THR OG1 : rot -150:sc= -1.62! USER MOD Set 1.2: A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 SER OG : rot 140:sc= 0.796 USER MOD Set 2.2: A 18 GLN : amide:sc= 1.06 K(o=0.49,f=-0.46) USER MOD Set 2.3: A 75 ASN :FLIP amide:sc= -1.37 F(o=-1.3!,f=0.49) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc=-0.00751 (180deg=-0.102) USER MOD Single : A 9 SER OG : rot -126:sc= 0.516 USER MOD Single : A 12 ASN : amide:sc= -0.0224 K(o=-0.022,f=-3!) USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0.513) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -159:sc= -0.178 (180deg=-0.725) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 162:sc= -2.67 (180deg=-3.17!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -80:sc= -2.87! USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -133:sc= -0.104 (180deg=-0.524) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -124:sc= 0.686 (180deg=-0.263) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 110:sc= 0.951 USER MOD Single : A 72 MET CE :methyl 157:sc= -0.157 (180deg=-0.811) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -162:sc= -2.41! (180deg=-3.54!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -114:sc= -1.59 (180deg=-4.15!) USER MOD Single : A 85 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 14.517 -7.458 2.145 1.00 1.00 N ATOM 107 CA VAL A 2 13.411 -8.086 1.444 1.00 1.00 C ATOM 108 C VAL A 2 12.194 -7.156 1.474 1.00 1.00 C ATOM 109 O VAL A 2 11.425 -7.126 2.436 1.00 1.00 O ATOM 110 CB VAL A 2 13.068 -9.487 2.024 1.00 1.00 C ATOM 111 CG1 VAL A 2 12.828 -9.437 3.530 1.00 1.00 C ATOM 112 CG2 VAL A 2 11.869 -10.093 1.303 1.00 1.00 C ATOM 0 HA VAL A 2 13.711 -8.250 0.409 1.00 1.00 H new ATOM 0 HB VAL A 2 13.933 -10.129 1.855 1.00 1.00 H new ATOM 0 HG11 VAL A 2 12.591 -10.437 3.894 1.00 1.00 H new ATOM 0 HG12 VAL A 2 13.725 -9.072 4.030 1.00 1.00 H new ATOM 0 HG13 VAL A 2 11.996 -8.767 3.744 1.00 1.00 H new ATOM 0 HG21 VAL A 2 11.647 -11.073 1.726 1.00 1.00 H new ATOM 0 HG22 VAL A 2 11.004 -9.441 1.425 1.00 1.00 H new ATOM 0 HG23 VAL A 2 12.097 -10.199 0.242 1.00 1.00 H new ATOM 122 N ALA A 3 12.059 -6.356 0.429 1.00 1.00 N ATOM 123 CA ALA A 3 11.026 -5.337 0.383 1.00 1.00 C ATOM 124 C ALA A 3 9.807 -5.810 -0.393 1.00 1.00 C ATOM 125 O ALA A 3 9.922 -6.467 -1.433 1.00 1.00 O ATOM 126 CB ALA A 3 11.575 -4.055 -0.225 1.00 1.00 C ATOM 0 H ALA A 3 12.653 -6.394 -0.399 1.00 1.00 H new ATOM 0 HA ALA A 3 10.710 -5.138 1.407 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.789 -3.300 -0.253 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.406 -3.692 0.380 1.00 1.00 H new ATOM 0 HB3 ALA A 3 11.924 -4.253 -1.238 1.00 1.00 H new ATOM 132 N LEU A 4 8.644 -5.463 0.127 1.00 1.00 N ATOM 133 CA LEU A 4 7.381 -5.794 -0.500 1.00 1.00 C ATOM 134 C LEU A 4 7.050 -4.761 -1.567 1.00 1.00 C ATOM 135 O LEU A 4 6.666 -3.633 -1.257 1.00 1.00 O ATOM 136 CB LEU A 4 6.261 -5.846 0.548 1.00 1.00 C ATOM 137 CG LEU A 4 6.248 -7.082 1.461 1.00 1.00 C ATOM 138 CD1 LEU A 4 7.522 -7.190 2.284 1.00 1.00 C ATOM 139 CD2 LEU A 4 5.034 -7.048 2.376 1.00 1.00 C ATOM 0 H LEU A 4 8.550 -4.942 0.999 1.00 1.00 H new ATOM 0 HA LEU A 4 7.466 -6.776 -0.966 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.336 -4.957 1.175 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.303 -5.792 0.030 1.00 1.00 H new ATOM 0 HG LEU A 4 6.192 -7.963 0.821 1.00 1.00 H new ATOM 0 HD11 LEU A 4 7.473 -8.077 2.916 1.00 1.00 H new ATOM 0 HD12 LEU A 4 8.381 -7.267 1.617 1.00 1.00 H new ATOM 0 HD13 LEU A 4 7.627 -6.304 2.910 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.037 -7.929 3.017 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.068 -6.150 2.993 1.00 1.00 H new ATOM 0 HD23 LEU A 4 4.125 -7.040 1.774 1.00 1.00 H new ATOM 151 N SER A 5 7.228 -5.140 -2.819 1.00 1.00 N ATOM 152 CA SER A 5 6.971 -4.238 -3.926 1.00 1.00 C ATOM 153 C SER A 5 5.571 -4.466 -4.476 1.00 1.00 C ATOM 154 O SER A 5 5.312 -5.457 -5.159 1.00 1.00 O ATOM 155 CB SER A 5 8.013 -4.451 -5.015 1.00 1.00 C ATOM 156 OG SER A 5 9.317 -4.475 -4.457 1.00 1.00 O ATOM 0 H SER A 5 7.550 -6.068 -3.095 1.00 1.00 H new ATOM 0 HA SER A 5 7.037 -3.209 -3.572 1.00 1.00 H new ATOM 0 HB2 SER A 5 7.817 -5.388 -5.536 1.00 1.00 H new ATOM 0 HB3 SER A 5 7.942 -3.654 -5.755 1.00 1.00 H new ATOM 0 HG SER A 5 9.848 -5.172 -4.896 1.00 1.00 H new ATOM 162 N LEU A 6 4.667 -3.558 -4.157 1.00 1.00 N ATOM 163 CA LEU A 6 3.288 -3.692 -4.580 1.00 1.00 C ATOM 164 C LEU A 6 2.898 -2.576 -5.529 1.00 1.00 C ATOM 165 O LEU A 6 3.454 -1.475 -5.488 1.00 1.00 O ATOM 166 CB LEU A 6 2.334 -3.711 -3.381 1.00 1.00 C ATOM 167 CG LEU A 6 2.315 -5.000 -2.571 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.500 -5.077 -1.625 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.010 -5.125 -1.809 1.00 1.00 C ATOM 0 H LEU A 6 4.864 -2.722 -3.607 1.00 1.00 H new ATOM 0 HA LEU A 6 3.204 -4.644 -5.103 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.600 -2.890 -2.716 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.324 -3.515 -3.741 1.00 1.00 H new ATOM 0 HG LEU A 6 2.394 -5.836 -3.266 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.456 -6.009 -1.062 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.426 -5.043 -2.199 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.470 -4.234 -0.934 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.011 -6.051 -1.235 1.00 1.00 H new ATOM 0 HD22 LEU A 6 0.902 -4.278 -1.131 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.177 -5.135 -2.512 1.00 1.00 H new ATOM 181 N LYS A 7 1.942 -2.879 -6.384 1.00 1.00 N ATOM 182 CA LYS A 7 1.414 -1.912 -7.324 1.00 1.00 C ATOM 183 C LYS A 7 0.316 -1.103 -6.651 1.00 1.00 C ATOM 184 O LYS A 7 -0.761 -1.628 -6.364 1.00 1.00 O ATOM 185 CB LYS A 7 0.862 -2.628 -8.560 1.00 1.00 C ATOM 186 CG LYS A 7 1.872 -3.540 -9.238 1.00 1.00 C ATOM 187 CD LYS A 7 3.038 -2.755 -9.816 1.00 1.00 C ATOM 188 CE LYS A 7 4.123 -3.676 -10.356 1.00 1.00 C ATOM 189 NZ LYS A 7 3.611 -4.596 -11.406 1.00 1.00 N ATOM 0 H LYS A 7 1.510 -3.801 -6.446 1.00 1.00 H new ATOM 0 HA LYS A 7 2.213 -1.241 -7.640 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -0.009 -3.216 -8.270 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.519 -1.883 -9.278 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.245 -4.269 -8.518 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.380 -4.100 -10.033 1.00 1.00 H new ATOM 0 HD2 LYS A 7 2.680 -2.107 -10.616 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.459 -2.109 -9.046 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.935 -3.076 -10.766 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.541 -4.260 -9.537 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.407 -5.107 -11.838 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 2.953 -5.278 -10.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 3.115 -4.047 -12.137 1.00 1.00 H new ATOM 203 N ILE A 8 0.598 0.159 -6.368 1.00 1.00 N ATOM 204 CA ILE A 8 -0.358 1.012 -5.686 1.00 1.00 C ATOM 205 C ILE A 8 -1.181 1.807 -6.687 1.00 1.00 C ATOM 206 O ILE A 8 -0.659 2.665 -7.398 1.00 1.00 O ATOM 207 CB ILE A 8 0.331 1.980 -4.702 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.177 1.205 -3.685 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.709 2.835 -3.990 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.383 0.226 -2.843 1.00 1.00 C ATOM 0 H ILE A 8 1.481 0.614 -6.601 1.00 1.00 H new ATOM 0 HA ILE A 8 -1.015 0.356 -5.115 1.00 1.00 H new ATOM 0 HB ILE A 8 0.993 2.635 -5.267 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.958 0.661 -4.216 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.675 1.915 -3.025 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.210 3.514 -3.298 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.270 3.413 -4.725 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.392 2.191 -3.437 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.052 -0.283 -2.149 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.381 0.765 -2.282 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -0.094 -0.509 -3.492 1.00 1.00 H new ATOM 222 N SER A 9 -2.463 1.508 -6.737 1.00 1.00 N ATOM 223 CA SER A 9 -3.375 2.192 -7.631 1.00 1.00 C ATOM 224 C SER A 9 -3.943 3.433 -6.951 1.00 1.00 C ATOM 225 O SER A 9 -4.634 3.333 -5.943 1.00 1.00 O ATOM 226 CB SER A 9 -4.508 1.245 -8.045 1.00 1.00 C ATOM 227 OG SER A 9 -5.385 1.850 -8.984 1.00 1.00 O ATOM 0 H SER A 9 -2.900 0.788 -6.162 1.00 1.00 H new ATOM 0 HA SER A 9 -2.833 2.503 -8.524 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.084 0.338 -8.476 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.072 0.945 -7.162 1.00 1.00 H new ATOM 0 HG SER A 9 -6.306 1.797 -8.653 1.00 1.00 H new ATOM 233 N ILE A 10 -3.612 4.600 -7.477 1.00 1.00 N ATOM 234 CA ILE A 10 -4.196 5.839 -6.997 1.00 1.00 C ATOM 235 C ILE A 10 -5.119 6.399 -8.070 1.00 1.00 C ATOM 236 O ILE A 10 -4.664 7.011 -9.042 1.00 1.00 O ATOM 237 CB ILE A 10 -3.121 6.887 -6.627 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.154 6.313 -5.586 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.779 8.155 -6.096 1.00 1.00 C ATOM 240 CD1 ILE A 10 -0.966 7.208 -5.300 1.00 1.00 C ATOM 0 H ILE A 10 -2.941 4.715 -8.237 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.757 5.620 -6.088 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.556 7.138 -7.525 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.697 6.137 -4.657 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.793 5.345 -5.933 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -3.010 8.884 -5.840 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.434 8.572 -6.861 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.364 7.917 -5.208 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.326 6.736 -4.554 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.399 7.364 -6.218 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -1.317 8.168 -4.922 1.00 1.00 H new ATOM 252 N GLY A 11 -6.411 6.152 -7.910 1.00 1.00 N ATOM 253 CA GLY A 11 -7.371 6.539 -8.921 1.00 1.00 C ATOM 254 C GLY A 11 -7.309 5.615 -10.120 1.00 1.00 C ATOM 255 O GLY A 11 -7.966 4.573 -10.145 1.00 1.00 O ATOM 0 H GLY A 11 -6.812 5.689 -7.095 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.375 6.522 -8.498 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.176 7.563 -9.238 1.00 1.00 H new ATOM 259 N ASN A 12 -6.516 5.991 -11.110 1.00 1.00 N ATOM 260 CA ASN A 12 -6.272 5.131 -12.261 1.00 1.00 C ATOM 261 C ASN A 12 -4.783 5.098 -12.583 1.00 1.00 C ATOM 262 O ASN A 12 -4.366 4.564 -13.612 1.00 1.00 O ATOM 263 CB ASN A 12 -7.070 5.602 -13.484 1.00 1.00 C ATOM 264 CG ASN A 12 -6.565 6.912 -14.064 1.00 1.00 C ATOM 265 OD1 ASN A 12 -6.046 7.771 -13.353 1.00 1.00 O ATOM 266 ND2 ASN A 12 -6.716 7.069 -15.367 1.00 1.00 N ATOM 0 H ASN A 12 -6.029 6.887 -11.142 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.605 4.124 -12.010 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -7.029 4.832 -14.254 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -8.117 5.717 -13.204 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -6.397 7.927 -15.818 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -7.152 6.333 -15.922 1.00 1.00 H new ATOM 273 N VAL A 13 -3.986 5.673 -11.694 1.00 1.00 N ATOM 274 CA VAL A 13 -2.541 5.690 -11.859 1.00 1.00 C ATOM 275 C VAL A 13 -1.895 4.704 -10.896 1.00 1.00 C ATOM 276 O VAL A 13 -1.990 4.860 -9.679 1.00 1.00 O ATOM 277 CB VAL A 13 -1.956 7.098 -11.618 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.446 7.101 -11.814 1.00 1.00 C ATOM 279 CG2 VAL A 13 -2.614 8.117 -12.535 1.00 1.00 C ATOM 0 H VAL A 13 -4.318 6.136 -10.848 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.324 5.402 -12.888 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.165 7.377 -10.585 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.058 8.104 -11.638 1.00 1.00 H new ATOM 0 HG12 VAL A 13 0.014 6.406 -11.111 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.211 6.794 -12.833 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.187 9.103 -12.349 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.441 7.837 -13.574 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.686 8.143 -12.340 1.00 1.00 H new ATOM 289 N VAL A 14 -1.255 3.687 -11.444 1.00 1.00 N ATOM 290 CA VAL A 14 -0.632 2.656 -10.634 1.00 1.00 C ATOM 291 C VAL A 14 0.858 2.899 -10.501 1.00 1.00 C ATOM 292 O VAL A 14 1.598 2.926 -11.486 1.00 1.00 O ATOM 293 CB VAL A 14 -0.884 1.252 -11.217 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.301 0.178 -10.313 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.371 1.024 -11.435 1.00 1.00 C ATOM 0 H VAL A 14 -1.153 3.553 -12.450 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.087 2.703 -9.645 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.382 1.188 -12.183 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.491 -0.804 -10.745 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.774 0.329 -10.215 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.767 0.238 -9.329 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.530 0.027 -11.847 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.896 1.111 -10.484 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.755 1.770 -12.131 1.00 1.00 H new ATOM 305 N LYS A 15 1.278 3.080 -9.268 1.00 1.00 N ATOM 306 CA LYS A 15 2.664 3.331 -8.951 1.00 1.00 C ATOM 307 C LYS A 15 3.243 2.167 -8.153 1.00 1.00 C ATOM 308 O LYS A 15 2.683 1.760 -7.136 1.00 1.00 O ATOM 309 CB LYS A 15 2.777 4.632 -8.153 1.00 1.00 C ATOM 310 CG LYS A 15 4.135 4.827 -7.516 1.00 1.00 C ATOM 311 CD LYS A 15 5.217 5.075 -8.546 1.00 1.00 C ATOM 312 CE LYS A 15 6.576 5.205 -7.885 1.00 1.00 C ATOM 313 NZ LYS A 15 6.554 6.153 -6.739 1.00 1.00 N ATOM 0 H LYS A 15 0.663 3.057 -8.454 1.00 1.00 H new ATOM 0 HA LYS A 15 3.232 3.428 -9.876 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.569 5.474 -8.813 1.00 1.00 H new ATOM 0 HB3 LYS A 15 2.014 4.640 -7.375 1.00 1.00 H new ATOM 0 HG2 LYS A 15 4.093 5.669 -6.825 1.00 1.00 H new ATOM 0 HG3 LYS A 15 4.390 3.945 -6.929 1.00 1.00 H new ATOM 0 HD2 LYS A 15 5.235 4.256 -9.265 1.00 1.00 H new ATOM 0 HD3 LYS A 15 4.992 5.984 -9.104 1.00 1.00 H new ATOM 0 HE2 LYS A 15 6.905 4.225 -7.538 1.00 1.00 H new ATOM 0 HE3 LYS A 15 7.305 5.544 -8.621 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 7.512 6.525 -6.578 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.908 6.940 -6.952 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 6.226 5.658 -5.885 1.00 1.00 H new ATOM 327 N THR A 16 4.358 1.631 -8.620 1.00 1.00 N ATOM 328 CA THR A 16 5.030 0.549 -7.925 1.00 1.00 C ATOM 329 C THR A 16 5.782 1.089 -6.711 1.00 1.00 C ATOM 330 O THR A 16 6.719 1.878 -6.851 1.00 1.00 O ATOM 331 CB THR A 16 6.018 -0.173 -8.858 1.00 1.00 C ATOM 332 OG1 THR A 16 5.394 -0.424 -10.124 1.00 1.00 O ATOM 333 CG2 THR A 16 6.474 -1.488 -8.242 1.00 1.00 C ATOM 0 H THR A 16 4.817 1.930 -9.480 1.00 1.00 H new ATOM 0 HA THR A 16 4.272 -0.162 -7.597 1.00 1.00 H new ATOM 0 HB THR A 16 6.890 0.466 -9.001 1.00 1.00 H new ATOM 0 HG1 THR A 16 6.027 -0.882 -10.716 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.172 -1.983 -8.917 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.967 -1.292 -7.290 1.00 1.00 H new ATOM 0 HG23 THR A 16 5.610 -2.132 -8.077 1.00 1.00 H new ATOM 341 N MET A 17 5.357 0.681 -5.526 1.00 1.00 N ATOM 342 CA MET A 17 5.985 1.137 -4.296 1.00 1.00 C ATOM 343 C MET A 17 6.545 -0.043 -3.520 1.00 1.00 C ATOM 344 O MET A 17 5.908 -1.094 -3.424 1.00 1.00 O ATOM 345 CB MET A 17 4.985 1.903 -3.429 1.00 1.00 C ATOM 346 CG MET A 17 4.482 3.193 -4.057 1.00 1.00 C ATOM 347 SD MET A 17 5.782 4.426 -4.274 1.00 1.00 S ATOM 348 CE MET A 17 6.287 4.696 -2.574 1.00 1.00 C ATOM 0 H MET A 17 4.580 0.035 -5.390 1.00 1.00 H new ATOM 0 HA MET A 17 6.802 1.808 -4.560 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.133 1.257 -3.219 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.453 2.135 -2.472 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.036 2.969 -5.026 1.00 1.00 H new ATOM 0 HG3 MET A 17 3.693 3.611 -3.432 1.00 1.00 H new ATOM 0 HE1 MET A 17 6.791 5.659 -2.493 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.409 4.690 -1.928 1.00 1.00 H new ATOM 0 HE3 MET A 17 6.969 3.903 -2.267 1.00 1.00 H new ATOM 358 N GLN A 18 7.736 0.129 -2.970 1.00 1.00 N ATOM 359 CA GLN A 18 8.391 -0.938 -2.233 1.00 1.00 C ATOM 360 C GLN A 18 8.399 -0.615 -0.744 1.00 1.00 C ATOM 361 O GLN A 18 9.071 0.321 -0.307 1.00 1.00 O ATOM 362 CB GLN A 18 9.819 -1.143 -2.742 1.00 1.00 C ATOM 363 CG GLN A 18 9.909 -1.252 -4.257 1.00 1.00 C ATOM 364 CD GLN A 18 11.308 -1.577 -4.738 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.123 -0.683 -4.964 1.00 1.00 O ATOM 366 NE2 GLN A 18 11.588 -2.856 -4.920 1.00 1.00 N ATOM 0 H GLN A 18 8.268 0.998 -3.020 1.00 1.00 H new ATOM 0 HA GLN A 18 7.836 -1.863 -2.389 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.439 -0.312 -2.407 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.230 -2.048 -2.295 1.00 1.00 H new ATOM 0 HG2 GLN A 18 9.222 -2.024 -4.603 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.584 -0.313 -4.705 1.00 1.00 H new ATOM 0 HE21 GLN A 18 10.883 -3.566 -4.720 1.00 1.00 H new ATOM 0 HE22 GLN A 18 12.509 -3.133 -5.260 1.00 1.00 H new ATOM 375 N PHE A 19 7.639 -1.379 0.020 1.00 1.00 N ATOM 376 CA PHE A 19 7.526 -1.160 1.454 1.00 1.00 C ATOM 377 C PHE A 19 8.304 -2.235 2.209 1.00 1.00 C ATOM 378 O PHE A 19 8.848 -3.158 1.602 1.00 1.00 O ATOM 379 CB PHE A 19 6.058 -1.200 1.891 1.00 1.00 C ATOM 380 CG PHE A 19 5.128 -0.317 1.095 1.00 1.00 C ATOM 381 CD1 PHE A 19 5.007 1.032 1.384 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.358 -0.849 0.070 1.00 1.00 C ATOM 383 CE1 PHE A 19 4.138 1.836 0.668 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.490 -0.050 -0.650 1.00 1.00 C ATOM 385 CZ PHE A 19 3.379 1.293 -0.350 1.00 1.00 C ATOM 0 H PHE A 19 7.087 -2.162 -0.330 1.00 1.00 H new ATOM 0 HA PHE A 19 7.940 -0.178 1.683 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.703 -2.228 1.824 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.999 -0.910 2.940 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.599 1.462 2.179 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.438 -1.899 -0.168 1.00 1.00 H new ATOM 0 HE1 PHE A 19 4.053 2.886 0.905 1.00 1.00 H new ATOM 0 HE2 PHE A 19 2.899 -0.476 -1.447 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.700 1.918 -0.911 1.00 1.00 H new ATOM 395 N GLU A 20 8.348 -2.122 3.529 1.00 1.00 N ATOM 396 CA GLU A 20 8.990 -3.131 4.360 1.00 1.00 C ATOM 397 C GLU A 20 7.935 -4.056 4.958 1.00 1.00 C ATOM 398 O GLU A 20 6.795 -3.648 5.178 1.00 1.00 O ATOM 399 CB GLU A 20 9.803 -2.475 5.481 1.00 1.00 C ATOM 400 CG GLU A 20 10.935 -1.587 4.988 1.00 1.00 C ATOM 401 CD GLU A 20 11.732 -0.983 6.127 1.00 1.00 C ATOM 402 OE1 GLU A 20 12.561 -1.704 6.724 1.00 1.00 O ATOM 403 OE2 GLU A 20 11.537 0.213 6.432 1.00 1.00 O ATOM 0 H GLU A 20 7.946 -1.341 4.048 1.00 1.00 H new ATOM 0 HA GLU A 20 9.669 -3.712 3.736 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.133 -1.880 6.101 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.219 -3.255 6.118 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.600 -2.170 4.352 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.524 -0.788 4.371 1.00 1.00 H new ATOM 410 N PRO A 21 8.293 -5.319 5.220 1.00 1.00 N ATOM 411 CA PRO A 21 7.361 -6.295 5.793 1.00 1.00 C ATOM 412 C PRO A 21 6.875 -5.886 7.179 1.00 1.00 C ATOM 413 O PRO A 21 5.741 -6.176 7.564 1.00 1.00 O ATOM 414 CB PRO A 21 8.173 -7.593 5.870 1.00 1.00 C ATOM 415 CG PRO A 21 9.605 -7.190 5.724 1.00 1.00 C ATOM 416 CD PRO A 21 9.620 -5.895 4.958 1.00 1.00 C ATOM 0 HA PRO A 21 6.459 -6.388 5.188 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.006 -8.103 6.819 1.00 1.00 H new ATOM 0 HB3 PRO A 21 7.879 -8.285 5.080 1.00 1.00 H new ATOM 0 HG2 PRO A 21 10.073 -7.066 6.701 1.00 1.00 H new ATOM 0 HG3 PRO A 21 10.170 -7.958 5.195 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.417 -5.236 5.301 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.781 -6.062 3.893 1.00 1.00 H new ATOM 424 N SER A 22 7.729 -5.187 7.913 1.00 1.00 N ATOM 425 CA SER A 22 7.403 -4.758 9.264 1.00 1.00 C ATOM 426 C SER A 22 6.685 -3.409 9.257 1.00 1.00 C ATOM 427 O SER A 22 6.372 -2.855 10.312 1.00 1.00 O ATOM 428 CB SER A 22 8.678 -4.674 10.092 1.00 1.00 C ATOM 429 OG SER A 22 9.428 -5.876 9.991 1.00 1.00 O ATOM 0 H SER A 22 8.656 -4.905 7.594 1.00 1.00 H new ATOM 0 HA SER A 22 6.729 -5.491 9.708 1.00 1.00 H new ATOM 0 HB2 SER A 22 9.283 -3.834 9.751 1.00 1.00 H new ATOM 0 HB3 SER A 22 8.427 -4.484 11.136 1.00 1.00 H new ATOM 0 HG SER A 22 10.243 -5.799 10.529 1.00 1.00 H new ATOM 435 N THR A 23 6.425 -2.886 8.065 1.00 1.00 N ATOM 436 CA THR A 23 5.738 -1.613 7.921 1.00 1.00 C ATOM 437 C THR A 23 4.254 -1.756 8.252 1.00 1.00 C ATOM 438 O THR A 23 3.576 -2.657 7.751 1.00 1.00 O ATOM 439 CB THR A 23 5.909 -1.054 6.492 1.00 1.00 C ATOM 440 OG1 THR A 23 7.297 -0.804 6.232 1.00 1.00 O ATOM 441 CG2 THR A 23 5.124 0.233 6.299 1.00 1.00 C ATOM 0 H THR A 23 6.682 -3.328 7.182 1.00 1.00 H new ATOM 0 HA THR A 23 6.186 -0.912 8.625 1.00 1.00 H new ATOM 0 HB THR A 23 5.524 -1.798 5.795 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.383 -0.061 5.599 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.268 0.598 5.282 1.00 1.00 H new ATOM 0 HG22 THR A 23 4.065 0.042 6.470 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.476 0.983 7.007 1.00 1.00 H new ATOM 449 N MET A 24 3.771 -0.877 9.123 1.00 1.00 N ATOM 450 CA MET A 24 2.358 -0.830 9.474 1.00 1.00 C ATOM 451 C MET A 24 1.554 -0.318 8.285 1.00 1.00 C ATOM 452 O MET A 24 2.089 0.384 7.432 1.00 1.00 O ATOM 453 CB MET A 24 2.130 0.099 10.671 1.00 1.00 C ATOM 454 CG MET A 24 2.916 -0.258 11.930 1.00 1.00 C ATOM 455 SD MET A 24 2.340 -1.766 12.739 1.00 1.00 S ATOM 456 CE MET A 24 3.296 -3.012 11.885 1.00 1.00 C ATOM 0 H MET A 24 4.344 -0.182 9.602 1.00 1.00 H new ATOM 0 HA MET A 24 2.033 -1.836 9.739 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.390 1.116 10.376 1.00 1.00 H new ATOM 0 HB3 MET A 24 1.067 0.099 10.913 1.00 1.00 H new ATOM 0 HG2 MET A 24 3.968 -0.374 11.670 1.00 1.00 H new ATOM 0 HG3 MET A 24 2.851 0.570 12.636 1.00 1.00 H new ATOM 0 HE1 MET A 24 3.298 -3.933 12.469 1.00 1.00 H new ATOM 0 HE2 MET A 24 2.854 -3.203 10.907 1.00 1.00 H new ATOM 0 HE3 MET A 24 4.320 -2.661 11.758 1.00 1.00 H new ATOM 466 N VAL A 25 0.276 -0.650 8.227 1.00 1.00 N ATOM 467 CA VAL A 25 -0.569 -0.205 7.130 1.00 1.00 C ATOM 468 C VAL A 25 -0.719 1.319 7.130 1.00 1.00 C ATOM 469 O VAL A 25 -0.693 1.947 6.069 1.00 1.00 O ATOM 470 CB VAL A 25 -1.955 -0.879 7.164 1.00 1.00 C ATOM 471 CG1 VAL A 25 -2.868 -0.307 6.091 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.812 -2.385 6.991 1.00 1.00 C ATOM 0 H VAL A 25 -0.199 -1.224 8.923 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.074 -0.505 6.206 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.408 -0.676 8.135 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -3.839 -0.801 6.138 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -2.997 0.763 6.255 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.424 -0.473 5.109 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.798 -2.849 7.017 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.336 -2.598 6.034 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.200 -2.787 7.798 1.00 1.00 H new ATOM 482 N TYR A 26 -0.848 1.921 8.313 1.00 1.00 N ATOM 483 CA TYR A 26 -0.932 3.381 8.403 1.00 1.00 C ATOM 484 C TYR A 26 0.408 3.994 8.025 1.00 1.00 C ATOM 485 O TYR A 26 0.486 5.132 7.573 1.00 1.00 O ATOM 486 CB TYR A 26 -1.356 3.844 9.810 1.00 1.00 C ATOM 487 CG TYR A 26 -0.239 3.934 10.836 1.00 1.00 C ATOM 488 CD1 TYR A 26 0.115 2.837 11.611 1.00 1.00 C ATOM 489 CD2 TYR A 26 0.445 5.128 11.041 1.00 1.00 C ATOM 490 CE1 TYR A 26 1.117 2.927 12.559 1.00 1.00 C ATOM 491 CE2 TYR A 26 1.450 5.222 11.983 1.00 1.00 C ATOM 492 CZ TYR A 26 1.782 4.121 12.741 1.00 1.00 C ATOM 493 OH TYR A 26 2.779 4.215 13.686 1.00 1.00 O ATOM 0 H TYR A 26 -0.896 1.432 9.207 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.698 3.720 7.706 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -1.826 4.824 9.724 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.115 3.158 10.185 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -0.401 1.899 11.471 1.00 1.00 H new ATOM 0 HD2 TYR A 26 0.185 5.996 10.453 1.00 1.00 H new ATOM 0 HE1 TYR A 26 1.378 2.065 13.155 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.974 6.156 12.125 1.00 1.00 H new ATOM 0 HH TYR A 26 3.146 5.124 13.685 1.00 1.00 H new ATOM 503 N ASP A 27 1.458 3.214 8.206 1.00 1.00 N ATOM 504 CA ASP A 27 2.810 3.659 7.886 1.00 1.00 C ATOM 505 C ASP A 27 3.088 3.481 6.394 1.00 1.00 C ATOM 506 O ASP A 27 3.889 4.205 5.804 1.00 1.00 O ATOM 507 CB ASP A 27 3.830 2.892 8.725 1.00 1.00 C ATOM 508 CG ASP A 27 5.228 3.466 8.621 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.432 4.619 9.055 1.00 1.00 O ATOM 510 OD2 ASP A 27 6.135 2.755 8.141 1.00 1.00 O ATOM 0 H ASP A 27 1.404 2.264 8.574 1.00 1.00 H new ATOM 0 HA ASP A 27 2.898 4.719 8.124 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.515 2.901 9.769 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.846 1.850 8.406 1.00 1.00 H new ATOM 515 N ALA A 28 2.410 2.515 5.789 1.00 1.00 N ATOM 516 CA ALA A 28 2.542 2.255 4.363 1.00 1.00 C ATOM 517 C ALA A 28 1.784 3.296 3.547 1.00 1.00 C ATOM 518 O ALA A 28 2.305 3.826 2.566 1.00 1.00 O ATOM 519 CB ALA A 28 2.053 0.855 4.031 1.00 1.00 C ATOM 0 H ALA A 28 1.758 1.894 6.269 1.00 1.00 H new ATOM 0 HA ALA A 28 3.598 2.324 4.101 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.159 0.677 2.961 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.645 0.123 4.581 1.00 1.00 H new ATOM 0 HB3 ALA A 28 1.004 0.759 4.313 1.00 1.00 H new ATOM 525 N CYS A 29 0.551 3.595 3.956 1.00 1.00 N ATOM 526 CA CYS A 29 -0.220 4.649 3.306 1.00 1.00 C ATOM 527 C CYS A 29 0.435 6.002 3.566 1.00 1.00 C ATOM 528 O CYS A 29 0.319 6.932 2.764 1.00 1.00 O ATOM 529 CB CYS A 29 -1.675 4.641 3.787 1.00 1.00 C ATOM 530 SG CYS A 29 -1.873 4.643 5.580 1.00 1.00 S ATOM 0 H CYS A 29 0.071 3.127 4.725 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.230 4.465 2.232 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -2.184 5.513 3.377 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.173 3.761 3.381 1.00 1.00 H new ATOM 0 HG CYS A 29 -1.701 3.438 6.037 1.00 1.00 H new ATOM 536 N ARG A 30 1.139 6.084 4.692 1.00 1.00 N ATOM 537 CA ARG A 30 1.967 7.236 5.019 1.00 1.00 C ATOM 538 C ARG A 30 2.976 7.504 3.907 1.00 1.00 C ATOM 539 O ARG A 30 3.122 8.634 3.448 1.00 1.00 O ATOM 540 CB ARG A 30 2.705 6.982 6.334 1.00 1.00 C ATOM 541 CG ARG A 30 3.842 7.949 6.607 1.00 1.00 C ATOM 542 CD ARG A 30 4.746 7.439 7.715 1.00 1.00 C ATOM 543 NE ARG A 30 5.931 8.276 7.889 1.00 1.00 N ATOM 544 CZ ARG A 30 6.952 7.963 8.686 1.00 1.00 C ATOM 545 NH1 ARG A 30 6.978 6.790 9.309 1.00 1.00 N ATOM 546 NH2 ARG A 30 7.962 8.810 8.835 1.00 1.00 N ATOM 0 H ARG A 30 1.150 5.352 5.402 1.00 1.00 H new ATOM 0 HA ARG A 30 1.324 8.110 5.124 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.990 7.038 7.155 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.101 5.967 6.325 1.00 1.00 H new ATOM 0 HG2 ARG A 30 4.425 8.095 5.697 1.00 1.00 H new ATOM 0 HG3 ARG A 30 3.436 8.922 6.885 1.00 1.00 H new ATOM 0 HD2 ARG A 30 4.187 7.404 8.650 1.00 1.00 H new ATOM 0 HD3 ARG A 30 5.054 6.418 7.489 1.00 1.00 H new ATOM 0 HE ARG A 30 5.980 9.152 7.369 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.215 6.126 9.178 1.00 1.00 H new ATOM 0 HH12 ARG A 30 7.761 6.553 9.918 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.957 9.701 8.339 1.00 1.00 H new ATOM 0 HH22 ARG A 30 8.743 8.570 9.445 1.00 1.00 H new ATOM 560 N MET A 31 3.654 6.451 3.467 1.00 1.00 N ATOM 561 CA MET A 31 4.675 6.578 2.435 1.00 1.00 C ATOM 562 C MET A 31 4.079 7.139 1.148 1.00 1.00 C ATOM 563 O MET A 31 4.722 7.918 0.450 1.00 1.00 O ATOM 564 CB MET A 31 5.343 5.231 2.156 1.00 1.00 C ATOM 565 CG MET A 31 6.049 4.636 3.364 1.00 1.00 C ATOM 566 SD MET A 31 6.969 3.138 2.963 1.00 1.00 S ATOM 567 CE MET A 31 7.526 2.644 4.591 1.00 1.00 C ATOM 0 H MET A 31 3.515 5.500 3.809 1.00 1.00 H new ATOM 0 HA MET A 31 5.431 7.272 2.803 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.588 4.527 1.804 1.00 1.00 H new ATOM 0 HB3 MET A 31 6.065 5.354 1.349 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.732 5.376 3.782 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.313 4.410 4.135 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.112 1.728 4.513 1.00 1.00 H new ATOM 0 HE2 MET A 31 8.142 3.434 5.020 1.00 1.00 H new ATOM 0 HE3 MET A 31 6.663 2.468 5.233 1.00 1.00 H new ATOM 577 N ILE A 32 2.843 6.758 0.848 1.00 1.00 N ATOM 578 CA ILE A 32 2.178 7.248 -0.349 1.00 1.00 C ATOM 579 C ILE A 32 1.928 8.753 -0.268 1.00 1.00 C ATOM 580 O ILE A 32 2.243 9.481 -1.204 1.00 1.00 O ATOM 581 CB ILE A 32 0.852 6.492 -0.638 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.151 5.087 -1.162 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.000 7.260 -1.637 1.00 1.00 C ATOM 584 CD1 ILE A 32 1.843 5.086 -2.507 1.00 1.00 C ATOM 0 H ILE A 32 2.286 6.117 1.413 1.00 1.00 H new ATOM 0 HA ILE A 32 2.854 7.053 -1.182 1.00 1.00 H new ATOM 0 HB ILE A 32 0.292 6.409 0.293 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.776 4.562 -0.439 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.218 4.530 -1.241 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.924 6.712 -1.825 1.00 1.00 H new ATOM 0 HG22 ILE A 32 -0.237 8.244 -1.232 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.550 7.375 -2.571 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.026 4.058 -2.821 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.210 5.583 -3.242 1.00 1.00 H new ATOM 0 HD13 ILE A 32 2.792 5.616 -2.428 1.00 1.00 H new ATOM 596 N ARG A 33 1.394 9.226 0.849 1.00 1.00 N ATOM 597 CA ARG A 33 1.081 10.646 0.985 1.00 1.00 C ATOM 598 C ARG A 33 2.339 11.500 1.143 1.00 1.00 C ATOM 599 O ARG A 33 2.355 12.665 0.746 1.00 1.00 O ATOM 600 CB ARG A 33 0.115 10.899 2.147 1.00 1.00 C ATOM 601 CG ARG A 33 0.494 10.209 3.446 1.00 1.00 C ATOM 602 CD ARG A 33 -0.353 10.706 4.605 1.00 1.00 C ATOM 603 NE ARG A 33 -0.300 9.805 5.757 1.00 1.00 N ATOM 604 CZ ARG A 33 0.502 9.971 6.808 1.00 1.00 C ATOM 605 NH1 ARG A 33 1.356 10.988 6.854 1.00 1.00 N ATOM 606 NH2 ARG A 33 0.445 9.112 7.817 1.00 1.00 N ATOM 0 H ARG A 33 1.170 8.658 1.666 1.00 1.00 H new ATOM 0 HA ARG A 33 0.591 10.946 0.059 1.00 1.00 H new ATOM 0 HB2 ARG A 33 0.055 11.973 2.325 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -0.881 10.569 1.853 1.00 1.00 H new ATOM 0 HG2 ARG A 33 0.369 9.132 3.338 1.00 1.00 H new ATOM 0 HG3 ARG A 33 1.548 10.387 3.661 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -0.010 11.696 4.905 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -1.387 10.813 4.277 1.00 1.00 H new ATOM 0 HE ARG A 33 -0.919 8.995 5.755 1.00 1.00 H new ATOM 0 HH11 ARG A 33 1.402 11.651 6.080 1.00 1.00 H new ATOM 0 HH12 ARG A 33 1.966 11.106 7.663 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -0.210 8.331 7.785 1.00 1.00 H new ATOM 0 HH22 ARG A 33 1.056 9.233 8.625 1.00 1.00 H new ATOM 620 N GLU A 34 3.388 10.937 1.727 1.00 1.00 N ATOM 621 CA GLU A 34 4.620 11.691 1.933 1.00 1.00 C ATOM 622 C GLU A 34 5.487 11.723 0.675 1.00 1.00 C ATOM 623 O GLU A 34 6.106 12.743 0.369 1.00 1.00 O ATOM 624 CB GLU A 34 5.414 11.130 3.112 1.00 1.00 C ATOM 625 CG GLU A 34 4.659 11.203 4.429 1.00 1.00 C ATOM 626 CD GLU A 34 5.529 10.891 5.623 1.00 1.00 C ATOM 627 OE1 GLU A 34 6.211 9.846 5.618 1.00 1.00 O ATOM 628 OE2 GLU A 34 5.529 11.685 6.586 1.00 1.00 O ATOM 0 H GLU A 34 3.413 9.974 2.063 1.00 1.00 H new ATOM 0 HA GLU A 34 4.332 12.717 2.162 1.00 1.00 H new ATOM 0 HB2 GLU A 34 5.673 10.092 2.906 1.00 1.00 H new ATOM 0 HB3 GLU A 34 6.350 11.680 3.206 1.00 1.00 H new ATOM 0 HG2 GLU A 34 4.236 12.201 4.545 1.00 1.00 H new ATOM 0 HG3 GLU A 34 3.823 10.504 4.402 1.00 1.00 H new ATOM 635 N ARG A 35 5.532 10.616 -0.056 1.00 1.00 N ATOM 636 CA ARG A 35 6.363 10.537 -1.256 1.00 1.00 C ATOM 637 C ARG A 35 5.606 11.013 -2.490 1.00 1.00 C ATOM 638 O ARG A 35 6.212 11.395 -3.492 1.00 1.00 O ATOM 639 CB ARG A 35 6.869 9.109 -1.480 1.00 1.00 C ATOM 640 CG ARG A 35 7.799 8.605 -0.388 1.00 1.00 C ATOM 641 CD ARG A 35 8.976 9.544 -0.183 1.00 1.00 C ATOM 642 NE ARG A 35 9.714 9.784 -1.424 1.00 1.00 N ATOM 643 CZ ARG A 35 10.825 10.514 -1.502 1.00 1.00 C ATOM 644 NH1 ARG A 35 11.364 11.034 -0.405 1.00 1.00 N ATOM 645 NH2 ARG A 35 11.400 10.710 -2.683 1.00 1.00 N ATOM 0 H ARG A 35 5.009 9.767 0.156 1.00 1.00 H new ATOM 0 HA ARG A 35 7.217 11.195 -1.099 1.00 1.00 H new ATOM 0 HB2 ARG A 35 6.013 8.438 -1.552 1.00 1.00 H new ATOM 0 HB3 ARG A 35 7.390 9.065 -2.436 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.245 8.505 0.545 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.165 7.612 -0.650 1.00 1.00 H new ATOM 0 HD2 ARG A 35 8.616 10.494 0.213 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.650 9.122 0.563 1.00 1.00 H new ATOM 0 HE ARG A 35 9.355 9.366 -2.282 1.00 1.00 H new ATOM 0 HH11 ARG A 35 10.927 10.875 0.503 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.215 11.592 -0.470 1.00 1.00 H new ATOM 0 HH21 ARG A 35 10.990 10.302 -3.524 1.00 1.00 H new ATOM 0 HH22 ARG A 35 12.251 11.268 -2.749 1.00 1.00 H new ATOM 659 N ILE A 36 4.286 10.976 -2.423 1.00 1.00 N ATOM 660 CA ILE A 36 3.451 11.409 -3.530 1.00 1.00 C ATOM 661 C ILE A 36 2.482 12.487 -3.056 1.00 1.00 C ATOM 662 O ILE A 36 1.626 12.236 -2.207 1.00 1.00 O ATOM 663 CB ILE A 36 2.653 10.230 -4.134 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.600 9.100 -4.549 1.00 1.00 C ATOM 665 CG2 ILE A 36 1.827 10.697 -5.325 1.00 1.00 C ATOM 666 CD1 ILE A 36 2.890 7.856 -5.040 1.00 1.00 C ATOM 0 H ILE A 36 3.767 10.648 -1.608 1.00 1.00 H new ATOM 0 HA ILE A 36 4.105 11.810 -4.304 1.00 1.00 H new ATOM 0 HB ILE A 36 1.973 9.849 -3.372 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.262 9.464 -5.335 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.230 8.836 -3.699 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.273 9.854 -5.736 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.128 11.468 -5.003 1.00 1.00 H new ATOM 0 HG23 ILE A 36 2.489 11.104 -6.090 1.00 1.00 H new ATOM 0 HD11 ILE A 36 3.627 7.101 -5.315 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.250 7.466 -4.249 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.282 8.104 -5.910 1.00 1.00 H new ATOM 678 N PRO A 37 2.585 13.700 -3.619 1.00 1.00 N ATOM 679 CA PRO A 37 1.770 14.846 -3.195 1.00 1.00 C ATOM 680 C PRO A 37 0.338 14.706 -3.673 1.00 1.00 C ATOM 681 O PRO A 37 -0.578 15.352 -3.159 1.00 1.00 O ATOM 682 CB PRO A 37 2.443 16.008 -3.916 1.00 1.00 C ATOM 683 CG PRO A 37 2.889 15.379 -5.181 1.00 1.00 C ATOM 684 CD PRO A 37 3.466 14.060 -4.748 1.00 1.00 C ATOM 0 HA PRO A 37 1.718 14.957 -2.112 1.00 1.00 H new ATOM 0 HB2 PRO A 37 1.752 16.832 -4.093 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.280 16.411 -3.345 1.00 1.00 H new ATOM 0 HG2 PRO A 37 2.058 15.243 -5.874 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.632 15.992 -5.691 1.00 1.00 H new ATOM 0 HD2 PRO A 37 3.432 13.318 -5.545 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.508 14.151 -4.441 1.00 1.00 H new ATOM 692 N GLU A 38 0.159 13.844 -4.666 1.00 1.00 N ATOM 693 CA GLU A 38 -1.130 13.655 -5.291 1.00 1.00 C ATOM 694 C GLU A 38 -2.105 13.020 -4.305 1.00 1.00 C ATOM 695 O GLU A 38 -3.313 13.255 -4.358 1.00 1.00 O ATOM 696 CB GLU A 38 -0.994 12.778 -6.536 1.00 1.00 C ATOM 697 CG GLU A 38 -0.076 13.365 -7.597 1.00 1.00 C ATOM 698 CD GLU A 38 -0.582 14.686 -8.139 1.00 1.00 C ATOM 699 OE1 GLU A 38 -0.275 15.738 -7.539 1.00 1.00 O ATOM 700 OE2 GLU A 38 -1.287 14.678 -9.170 1.00 1.00 O ATOM 0 H GLU A 38 0.902 13.263 -5.054 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.517 14.629 -5.591 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -0.615 11.799 -6.241 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -1.982 12.621 -6.969 1.00 1.00 H new ATOM 0 HG2 GLU A 38 0.918 13.507 -7.174 1.00 1.00 H new ATOM 0 HG3 GLU A 38 0.026 12.655 -8.418 1.00 1.00 H new ATOM 707 N ALA A 39 -1.556 12.223 -3.392 1.00 1.00 N ATOM 708 CA ALA A 39 -2.345 11.555 -2.369 1.00 1.00 C ATOM 709 C ALA A 39 -2.928 12.556 -1.378 1.00 1.00 C ATOM 710 O ALA A 39 -3.926 12.279 -0.713 1.00 1.00 O ATOM 711 CB ALA A 39 -1.478 10.544 -1.641 1.00 1.00 C ATOM 0 H ALA A 39 -0.557 12.025 -3.343 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.177 11.043 -2.854 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.069 10.043 -0.874 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.105 9.806 -2.351 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.636 11.056 -1.174 1.00 1.00 H new ATOM 717 N LEU A 40 -2.314 13.730 -1.300 1.00 1.00 N ATOM 718 CA LEU A 40 -2.730 14.750 -0.348 1.00 1.00 C ATOM 719 C LEU A 40 -3.849 15.616 -0.914 1.00 1.00 C ATOM 720 O LEU A 40 -4.165 16.674 -0.369 1.00 1.00 O ATOM 721 CB LEU A 40 -1.537 15.612 0.059 1.00 1.00 C ATOM 722 CG LEU A 40 -0.482 14.889 0.898 1.00 1.00 C ATOM 723 CD1 LEU A 40 0.718 15.787 1.137 1.00 1.00 C ATOM 724 CD2 LEU A 40 -1.078 14.440 2.223 1.00 1.00 C ATOM 0 H LEU A 40 -1.524 13.999 -1.887 1.00 1.00 H new ATOM 0 HA LEU A 40 -3.118 14.246 0.537 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.062 15.999 -0.842 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.902 16.471 0.621 1.00 1.00 H new ATOM 0 HG LEU A 40 -0.149 14.009 0.348 1.00 1.00 H new ATOM 0 HD11 LEU A 40 1.457 15.255 1.736 1.00 1.00 H new ATOM 0 HD12 LEU A 40 1.159 16.067 0.180 1.00 1.00 H new ATOM 0 HD13 LEU A 40 0.401 16.685 1.667 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -0.316 13.927 2.810 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -1.436 15.310 2.774 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -1.910 13.761 2.036 1.00 1.00 H new ATOM 736 N ALA A 41 -4.454 15.161 -2.006 1.00 1.00 N ATOM 737 CA ALA A 41 -5.641 15.810 -2.544 1.00 1.00 C ATOM 738 C ALA A 41 -6.829 15.539 -1.627 1.00 1.00 C ATOM 739 O ALA A 41 -7.843 16.238 -1.664 1.00 1.00 O ATOM 740 CB ALA A 41 -5.929 15.316 -3.955 1.00 1.00 C ATOM 0 H ALA A 41 -4.141 14.346 -2.534 1.00 1.00 H new ATOM 0 HA ALA A 41 -5.468 16.885 -2.594 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -6.820 15.813 -4.340 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.080 15.542 -4.600 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.094 14.239 -3.937 1.00 1.00 H new ATOM 746 N GLY A 42 -6.680 14.512 -0.803 1.00 1.00 N ATOM 747 CA GLY A 42 -7.682 14.185 0.182 1.00 1.00 C ATOM 748 C GLY A 42 -7.065 14.045 1.554 1.00 1.00 C ATOM 749 O GLY A 42 -5.839 14.063 1.678 1.00 1.00 O ATOM 0 H GLY A 42 -5.869 13.893 -0.803 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -8.446 14.962 0.200 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.179 13.255 -0.094 1.00 1.00 H new ATOM 753 N PRO A 43 -7.875 13.930 2.609 1.00 1.00 N ATOM 754 CA PRO A 43 -7.377 13.794 3.972 1.00 1.00 C ATOM 755 C PRO A 43 -6.801 12.424 4.237 1.00 1.00 C ATOM 756 O PRO A 43 -7.386 11.400 3.882 1.00 1.00 O ATOM 757 CB PRO A 43 -8.606 14.064 4.853 1.00 1.00 C ATOM 758 CG PRO A 43 -9.686 14.506 3.916 1.00 1.00 C ATOM 759 CD PRO A 43 -9.337 13.935 2.573 1.00 1.00 C ATOM 0 HA PRO A 43 -6.557 14.483 4.173 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -8.902 13.167 5.397 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -8.394 14.832 5.596 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -10.660 14.149 4.249 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -9.743 15.594 3.873 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -9.744 12.933 2.439 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -9.722 14.548 1.758 1.00 1.00 H new ATOM 767 N PRO A 44 -5.627 12.406 4.873 1.00 1.00 N ATOM 768 CA PRO A 44 -4.850 11.193 5.055 1.00 1.00 C ATOM 769 C PRO A 44 -5.589 10.097 5.825 1.00 1.00 C ATOM 770 O PRO A 44 -5.359 8.909 5.596 1.00 1.00 O ATOM 771 CB PRO A 44 -3.615 11.656 5.834 1.00 1.00 C ATOM 772 CG PRO A 44 -3.531 13.119 5.584 1.00 1.00 C ATOM 773 CD PRO A 44 -4.949 13.583 5.444 1.00 1.00 C ATOM 0 HA PRO A 44 -4.620 10.736 4.093 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.716 11.442 6.898 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.716 11.144 5.490 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -3.030 13.630 6.407 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.958 13.331 4.681 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -5.377 13.869 6.405 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -5.027 14.451 4.789 1.00 1.00 H new ATOM 781 N ASN A 45 -6.479 10.493 6.730 1.00 1.00 N ATOM 782 CA ASN A 45 -7.222 9.532 7.542 1.00 1.00 C ATOM 783 C ASN A 45 -8.535 9.154 6.875 1.00 1.00 C ATOM 784 O ASN A 45 -9.326 8.390 7.426 1.00 1.00 O ATOM 785 CB ASN A 45 -7.503 10.087 8.940 1.00 1.00 C ATOM 786 CG ASN A 45 -6.241 10.390 9.719 1.00 1.00 C ATOM 787 OD1 ASN A 45 -5.194 9.782 9.498 1.00 1.00 O ATOM 788 ND2 ASN A 45 -6.336 11.331 10.641 1.00 1.00 N ATOM 0 H ASN A 45 -6.704 11.470 6.920 1.00 1.00 H new ATOM 0 HA ASN A 45 -6.600 8.641 7.635 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -8.096 10.997 8.851 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -8.104 9.368 9.497 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -5.521 11.579 11.203 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -7.224 11.810 10.791 1.00 1.00 H new ATOM 795 N ASP A 46 -8.770 9.698 5.691 1.00 1.00 N ATOM 796 CA ASP A 46 -9.958 9.364 4.918 1.00 1.00 C ATOM 797 C ASP A 46 -9.560 8.546 3.704 1.00 1.00 C ATOM 798 O ASP A 46 -10.397 8.146 2.904 1.00 1.00 O ATOM 799 CB ASP A 46 -10.719 10.621 4.487 1.00 1.00 C ATOM 800 CG ASP A 46 -11.454 11.282 5.637 1.00 1.00 C ATOM 801 OD1 ASP A 46 -12.463 10.718 6.110 1.00 1.00 O ATOM 802 OD2 ASP A 46 -11.043 12.377 6.068 1.00 1.00 O ATOM 0 H ASP A 46 -8.152 10.375 5.243 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.625 8.778 5.550 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -10.019 11.333 4.051 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -11.434 10.359 3.707 1.00 1.00 H new ATOM 807 N PHE A 47 -8.267 8.301 3.583 1.00 1.00 N ATOM 808 CA PHE A 47 -7.731 7.454 2.531 1.00 1.00 C ATOM 809 C PHE A 47 -7.061 6.242 3.159 1.00 1.00 C ATOM 810 O PHE A 47 -6.512 6.335 4.256 1.00 1.00 O ATOM 811 CB PHE A 47 -6.724 8.226 1.677 1.00 1.00 C ATOM 812 CG PHE A 47 -7.341 9.120 0.637 1.00 1.00 C ATOM 813 CD1 PHE A 47 -8.140 10.190 1.001 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.116 8.886 -0.710 1.00 1.00 C ATOM 815 CE1 PHE A 47 -8.704 11.009 0.042 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.676 9.702 -1.674 1.00 1.00 C ATOM 817 CZ PHE A 47 -8.472 10.765 -1.297 1.00 1.00 C ATOM 0 H PHE A 47 -7.559 8.683 4.210 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.547 7.129 1.885 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -6.099 8.832 2.334 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.066 7.513 1.180 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -8.325 10.387 2.047 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -6.495 8.055 -1.010 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -9.326 11.840 0.340 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -7.491 9.509 -2.720 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.912 11.404 -2.048 1.00 1.00 H new ATOM 827 N GLY A 48 -7.113 5.112 2.479 1.00 1.00 N ATOM 828 CA GLY A 48 -6.547 3.902 3.033 1.00 1.00 C ATOM 829 C GLY A 48 -6.052 2.956 1.965 1.00 1.00 C ATOM 830 O GLY A 48 -6.200 3.225 0.770 1.00 1.00 O ATOM 0 H GLY A 48 -7.535 5.009 1.556 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.722 4.161 3.696 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.298 3.398 3.641 1.00 1.00 H new ATOM 834 N LEU A 49 -5.471 1.846 2.394 1.00 1.00 N ATOM 835 CA LEU A 49 -4.966 0.847 1.473 1.00 1.00 C ATOM 836 C LEU A 49 -6.027 -0.204 1.203 1.00 1.00 C ATOM 837 O LEU A 49 -6.574 -0.809 2.128 1.00 1.00 O ATOM 838 CB LEU A 49 -3.701 0.184 2.022 1.00 1.00 C ATOM 839 CG LEU A 49 -2.484 1.100 2.145 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.284 0.314 2.638 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.174 1.763 0.812 1.00 1.00 C ATOM 0 H LEU A 49 -5.339 1.616 3.379 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.713 1.347 0.538 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.925 -0.229 3.005 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.440 -0.654 1.376 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.712 1.882 2.870 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.424 0.978 2.721 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.507 -0.116 3.615 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.058 -0.486 1.933 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.304 2.411 0.921 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.965 0.997 0.065 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.031 2.357 0.493 1.00 1.00 H new ATOM 853 N PHE A 50 -6.310 -0.412 -0.064 1.00 1.00 N ATOM 854 CA PHE A 50 -7.313 -1.371 -0.481 1.00 1.00 C ATOM 855 C PHE A 50 -6.650 -2.503 -1.247 1.00 1.00 C ATOM 856 O PHE A 50 -6.217 -2.321 -2.384 1.00 1.00 O ATOM 857 CB PHE A 50 -8.374 -0.672 -1.344 1.00 1.00 C ATOM 858 CG PHE A 50 -9.411 -1.589 -1.929 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.500 -1.999 -1.178 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.298 -2.035 -3.237 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.457 -2.835 -1.720 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.251 -2.871 -3.784 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.331 -3.273 -3.025 1.00 1.00 C ATOM 0 H PHE A 50 -5.853 0.077 -0.834 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.806 -1.790 0.396 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.876 0.083 -0.738 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.873 -0.147 -2.157 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.602 -1.661 -0.157 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.454 -1.725 -3.835 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.303 -3.146 -1.125 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.151 -3.210 -4.805 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.077 -3.929 -3.450 1.00 1.00 H new ATOM 873 N LEU A 51 -6.551 -3.661 -0.614 1.00 1.00 N ATOM 874 CA LEU A 51 -5.941 -4.821 -1.244 1.00 1.00 C ATOM 875 C LEU A 51 -6.785 -5.248 -2.438 1.00 1.00 C ATOM 876 O LEU A 51 -7.893 -5.755 -2.279 1.00 1.00 O ATOM 877 CB LEU A 51 -5.811 -5.973 -0.242 1.00 1.00 C ATOM 878 CG LEU A 51 -5.152 -7.243 -0.787 1.00 1.00 C ATOM 879 CD1 LEU A 51 -3.740 -6.953 -1.272 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.138 -8.331 0.277 1.00 1.00 C ATOM 0 H LEU A 51 -6.885 -3.823 0.336 1.00 1.00 H new ATOM 0 HA LEU A 51 -4.940 -4.557 -1.586 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.235 -5.624 0.615 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.805 -6.228 0.124 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.737 -7.595 -1.636 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.291 -7.870 -1.655 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -3.774 -6.207 -2.066 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -3.141 -6.575 -0.444 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.666 -9.227 -0.126 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -4.577 -7.984 1.145 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.161 -8.562 0.575 1.00 1.00 H new ATOM 892 N SER A 52 -6.260 -5.016 -3.629 1.00 1.00 N ATOM 893 CA SER A 52 -7.015 -5.228 -4.847 1.00 1.00 C ATOM 894 C SER A 52 -6.952 -6.684 -5.288 1.00 1.00 C ATOM 895 O SER A 52 -6.009 -7.408 -4.962 1.00 1.00 O ATOM 896 CB SER A 52 -6.475 -4.314 -5.945 1.00 1.00 C ATOM 897 OG SER A 52 -6.399 -2.975 -5.487 1.00 1.00 O ATOM 0 H SER A 52 -5.309 -4.679 -3.776 1.00 1.00 H new ATOM 0 HA SER A 52 -8.061 -4.987 -4.656 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.487 -4.654 -6.256 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.121 -4.368 -6.821 1.00 1.00 H new ATOM 0 HG SER A 52 -6.049 -2.404 -6.203 1.00 1.00 H new ATOM 903 N ASP A 53 -7.967 -7.097 -6.028 1.00 1.00 N ATOM 904 CA ASP A 53 -8.060 -8.453 -6.542 1.00 1.00 C ATOM 905 C ASP A 53 -8.557 -8.392 -7.981 1.00 1.00 C ATOM 906 O ASP A 53 -8.862 -7.303 -8.478 1.00 1.00 O ATOM 907 CB ASP A 53 -9.025 -9.276 -5.671 1.00 1.00 C ATOM 908 CG ASP A 53 -9.035 -10.756 -6.011 1.00 1.00 C ATOM 909 OD1 ASP A 53 -8.214 -11.503 -5.439 1.00 1.00 O ATOM 910 OD2 ASP A 53 -9.864 -11.178 -6.843 1.00 1.00 O ATOM 0 H ASP A 53 -8.752 -6.500 -6.290 1.00 1.00 H new ATOM 0 HA ASP A 53 -7.083 -8.935 -6.515 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.750 -9.154 -4.623 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -10.033 -8.878 -5.785 1.00 1.00 H new ATOM 915 N ASP A 54 -8.631 -9.537 -8.648 1.00 1.00 N ATOM 916 CA ASP A 54 -9.178 -9.608 -9.997 1.00 1.00 C ATOM 917 C ASP A 54 -10.615 -9.104 -9.998 1.00 1.00 C ATOM 918 O ASP A 54 -11.066 -8.473 -10.955 1.00 1.00 O ATOM 919 CB ASP A 54 -9.123 -11.043 -10.527 1.00 1.00 C ATOM 920 CG ASP A 54 -7.704 -11.525 -10.740 1.00 1.00 C ATOM 921 OD1 ASP A 54 -7.103 -12.060 -9.788 1.00 1.00 O ATOM 922 OD2 ASP A 54 -7.180 -11.364 -11.864 1.00 1.00 O ATOM 0 H ASP A 54 -8.318 -10.433 -8.275 1.00 1.00 H new ATOM 0 HA ASP A 54 -8.576 -8.977 -10.651 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -9.628 -11.706 -9.825 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -9.669 -11.101 -11.469 1.00 1.00 H new ATOM 927 N ASP A 55 -11.319 -9.382 -8.910 1.00 1.00 N ATOM 928 CA ASP A 55 -12.661 -8.858 -8.702 1.00 1.00 C ATOM 929 C ASP A 55 -12.644 -7.845 -7.559 1.00 1.00 C ATOM 930 O ASP A 55 -12.197 -8.157 -6.454 1.00 1.00 O ATOM 931 CB ASP A 55 -13.641 -9.993 -8.398 1.00 1.00 C ATOM 932 CG ASP A 55 -15.013 -9.486 -8.006 1.00 1.00 C ATOM 933 OD1 ASP A 55 -15.823 -9.160 -8.905 1.00 1.00 O ATOM 934 OD2 ASP A 55 -15.289 -9.408 -6.797 1.00 1.00 O ATOM 0 H ASP A 55 -10.979 -9.973 -8.151 1.00 1.00 H new ATOM 0 HA ASP A 55 -12.993 -8.361 -9.614 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -13.731 -10.635 -9.274 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -13.241 -10.608 -7.592 1.00 1.00 H new ATOM 939 N PRO A 56 -13.122 -6.616 -7.811 1.00 1.00 N ATOM 940 CA PRO A 56 -13.069 -5.521 -6.830 1.00 1.00 C ATOM 941 C PRO A 56 -13.912 -5.771 -5.577 1.00 1.00 C ATOM 942 O PRO A 56 -13.784 -5.049 -4.586 1.00 1.00 O ATOM 943 CB PRO A 56 -13.605 -4.312 -7.602 1.00 1.00 C ATOM 944 CG PRO A 56 -14.398 -4.887 -8.723 1.00 1.00 C ATOM 945 CD PRO A 56 -13.739 -6.189 -9.079 1.00 1.00 C ATOM 0 HA PRO A 56 -12.056 -5.393 -6.449 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -14.224 -3.680 -6.965 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -12.791 -3.689 -7.974 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -15.435 -5.044 -8.426 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -14.411 -4.211 -9.578 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -14.462 -6.920 -9.440 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -12.995 -6.061 -9.865 1.00 1.00 H new ATOM 953 N LYS A 57 -14.768 -6.785 -5.608 1.00 1.00 N ATOM 954 CA LYS A 57 -15.591 -7.109 -4.453 1.00 1.00 C ATOM 955 C LYS A 57 -14.825 -8.004 -3.484 1.00 1.00 C ATOM 956 O LYS A 57 -15.063 -7.973 -2.275 1.00 1.00 O ATOM 957 CB LYS A 57 -16.901 -7.771 -4.890 1.00 1.00 C ATOM 958 CG LYS A 57 -17.747 -8.283 -3.736 1.00 1.00 C ATOM 959 CD LYS A 57 -19.156 -8.632 -4.183 1.00 1.00 C ATOM 960 CE LYS A 57 -19.947 -7.385 -4.538 1.00 1.00 C ATOM 961 NZ LYS A 57 -20.062 -6.457 -3.383 1.00 1.00 N ATOM 0 H LYS A 57 -14.909 -7.393 -6.415 1.00 1.00 H new ATOM 0 HA LYS A 57 -15.838 -6.182 -3.936 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.485 -7.053 -5.465 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -16.672 -8.602 -5.557 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -17.275 -9.164 -3.301 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -17.791 -7.526 -2.953 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -19.112 -9.295 -5.047 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -19.668 -9.176 -3.389 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -19.463 -6.872 -5.369 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -20.943 -7.670 -4.876 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -21.049 -6.143 -3.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -19.769 -6.947 -2.514 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -19.449 -5.631 -3.539 1.00 1.00 H new ATOM 975 N LYS A 58 -13.887 -8.780 -4.014 1.00 1.00 N ATOM 976 CA LYS A 58 -13.040 -9.623 -3.179 1.00 1.00 C ATOM 977 C LYS A 58 -12.013 -8.772 -2.444 1.00 1.00 C ATOM 978 O LYS A 58 -11.499 -9.164 -1.394 1.00 1.00 O ATOM 979 CB LYS A 58 -12.316 -10.678 -4.017 1.00 1.00 C ATOM 980 CG LYS A 58 -13.242 -11.619 -4.763 1.00 1.00 C ATOM 981 CD LYS A 58 -12.454 -12.708 -5.469 1.00 1.00 C ATOM 982 CE LYS A 58 -13.350 -13.593 -6.312 1.00 1.00 C ATOM 983 NZ LYS A 58 -12.590 -14.693 -6.959 1.00 1.00 N ATOM 0 H LYS A 58 -13.694 -8.843 -5.014 1.00 1.00 H new ATOM 0 HA LYS A 58 -13.681 -10.129 -2.457 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -11.671 -10.175 -4.737 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -11.669 -11.264 -3.364 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -13.948 -12.070 -4.065 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -13.827 -11.058 -5.491 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -11.692 -12.253 -6.102 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -11.933 -13.317 -4.730 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -14.137 -14.014 -5.686 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -13.839 -12.991 -7.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -13.238 -15.276 -7.526 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -11.855 -14.291 -7.576 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -12.144 -15.283 -6.228 1.00 1.00 H new ATOM 997 N GLY A 59 -11.724 -7.605 -3.010 1.00 1.00 N ATOM 998 CA GLY A 59 -10.766 -6.696 -2.416 1.00 1.00 C ATOM 999 C GLY A 59 -11.189 -6.230 -1.038 1.00 1.00 C ATOM 1000 O GLY A 59 -12.378 -6.033 -0.779 1.00 1.00 O ATOM 0 H GLY A 59 -12.142 -7.272 -3.879 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.796 -7.188 -2.348 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.639 -5.830 -3.066 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.219 -6.045 -0.158 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.499 -5.690 1.224 1.00 1.00 C ATOM 1006 C ILE A 60 -9.685 -4.478 1.657 1.00 1.00 C ATOM 1007 O ILE A 60 -8.623 -4.202 1.103 1.00 1.00 O ATOM 1008 CB ILE A 60 -10.183 -6.859 2.180 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.733 -7.317 1.998 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -11.146 -8.013 1.948 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -8.304 -8.383 2.981 1.00 1.00 C ATOM 0 H ILE A 60 -9.227 -6.135 -0.377 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.562 -5.455 1.277 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.308 -6.513 3.206 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.606 -7.698 0.985 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -8.074 -6.455 2.100 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.908 -8.828 2.631 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.167 -7.676 2.127 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -11.054 -8.363 0.920 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -7.266 -8.657 2.791 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.398 -8.000 3.997 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.938 -9.262 2.865 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.194 -3.757 2.643 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.458 -2.650 3.231 1.00 1.00 C ATOM 1025 C TRP A 61 -8.478 -3.178 4.267 1.00 1.00 C ATOM 1026 O TRP A 61 -8.771 -4.149 4.968 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.409 -1.651 3.883 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.241 -0.895 2.903 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.503 -1.205 2.511 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.871 0.289 2.189 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.952 -0.284 1.598 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.967 0.645 1.383 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.722 1.085 2.156 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.945 1.760 0.552 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.705 2.190 1.330 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.807 2.518 0.541 1.00 1.00 C ATOM 0 H TRP A 61 -11.114 -3.919 3.053 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.912 -2.139 2.438 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.066 -2.183 4.571 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.830 -0.944 4.477 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.071 -2.052 2.866 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.869 -0.290 1.152 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.865 0.840 2.765 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.795 2.018 -0.062 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.823 2.812 1.294 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.761 3.391 -0.093 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.318 -2.557 4.359 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.320 -2.985 5.322 1.00 1.00 C ATOM 1049 C LEU A 62 -6.440 -2.180 6.608 1.00 1.00 C ATOM 1050 O LEU A 62 -6.684 -0.970 6.574 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.912 -2.835 4.746 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.670 -3.514 3.398 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -3.198 -3.450 3.041 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -5.148 -4.957 3.419 1.00 1.00 C ATOM 0 H LEU A 62 -7.044 -1.760 3.784 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.496 -4.037 5.545 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.694 -1.772 4.641 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.200 -3.237 5.467 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.243 -2.982 2.639 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.035 -3.936 2.079 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -2.884 -2.408 2.979 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.615 -3.960 3.808 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -4.964 -5.416 2.447 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -4.608 -5.508 4.189 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -6.216 -4.983 3.636 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.284 -2.858 7.736 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.308 -2.202 9.031 1.00 1.00 C ATOM 1068 C GLU A 63 -5.001 -1.455 9.258 1.00 1.00 C ATOM 1069 O GLU A 63 -3.928 -2.054 9.245 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.514 -3.224 10.147 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.845 -3.953 10.093 1.00 1.00 C ATOM 1072 CD GLU A 63 -7.938 -5.046 11.139 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -8.053 -4.720 12.340 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -7.884 -6.235 10.767 1.00 1.00 O ATOM 0 H GLU A 63 -6.139 -3.867 7.778 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.138 -1.495 9.045 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.710 -3.958 10.104 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.431 -2.716 11.108 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.655 -3.239 10.242 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -7.980 -4.387 9.102 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.105 -0.155 9.484 1.00 1.00 N ATOM 1082 CA ALA A 64 -3.945 0.724 9.632 1.00 1.00 C ATOM 1083 C ALA A 64 -3.006 0.267 10.750 1.00 1.00 C ATOM 1084 O ALA A 64 -1.799 0.511 10.690 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.426 2.144 9.882 1.00 1.00 C ATOM 0 H ALA A 64 -6.000 0.327 9.571 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.368 0.684 8.708 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.566 2.805 9.993 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.033 2.476 9.040 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.024 2.170 10.793 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.555 -0.411 11.751 1.00 1.00 N ATOM 1092 CA GLY A 65 -2.760 -0.835 12.887 1.00 1.00 C ATOM 1093 C GLY A 65 -2.099 -2.185 12.679 1.00 1.00 C ATOM 1094 O GLY A 65 -1.446 -2.707 13.585 1.00 1.00 O ATOM 0 H GLY A 65 -4.539 -0.675 11.796 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -1.992 -0.087 13.085 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.396 -0.881 13.771 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.267 -2.756 11.496 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.666 -4.045 11.175 1.00 1.00 C ATOM 1100 C LYS A 66 -0.418 -3.840 10.328 1.00 1.00 C ATOM 1101 O LYS A 66 -0.139 -2.726 9.884 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.661 -4.929 10.418 1.00 1.00 C ATOM 1103 CG LYS A 66 -3.970 -5.152 11.156 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.797 -6.029 12.382 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.094 -6.133 13.166 1.00 1.00 C ATOM 1106 NZ LYS A 66 -5.507 -4.830 13.752 1.00 1.00 N ATOM 0 H LYS A 66 -2.816 -2.347 10.740 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.394 -4.540 12.107 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -2.873 -4.474 9.450 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.197 -5.895 10.221 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.384 -4.189 11.456 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.691 -5.613 10.481 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.471 -7.024 12.078 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.015 -5.618 13.020 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -5.884 -6.500 12.510 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -4.976 -6.866 13.964 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -5.626 -4.934 14.780 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -4.777 -4.115 13.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -6.408 -4.529 13.328 1.00 1.00 H new ATOM 1120 N ALA A 67 0.330 -4.910 10.115 1.00 1.00 N ATOM 1121 CA ALA A 67 1.508 -4.867 9.264 1.00 1.00 C ATOM 1122 C ALA A 67 1.166 -5.330 7.856 1.00 1.00 C ATOM 1123 O ALA A 67 0.124 -5.943 7.631 1.00 1.00 O ATOM 1124 CB ALA A 67 2.613 -5.735 9.843 1.00 1.00 C ATOM 0 H ALA A 67 0.140 -5.825 10.523 1.00 1.00 H new ATOM 0 HA ALA A 67 1.859 -3.836 9.218 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.488 -5.692 9.194 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.879 -5.371 10.835 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.266 -6.766 9.916 1.00 1.00 H new ATOM 1130 N LEU A 68 2.046 -5.041 6.913 1.00 1.00 N ATOM 1131 CA LEU A 68 1.874 -5.512 5.546 1.00 1.00 C ATOM 1132 C LEU A 68 2.116 -7.017 5.469 1.00 1.00 C ATOM 1133 O LEU A 68 1.507 -7.717 4.661 1.00 1.00 O ATOM 1134 CB LEU A 68 2.819 -4.769 4.606 1.00 1.00 C ATOM 1135 CG LEU A 68 2.578 -3.262 4.518 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.565 -2.626 3.560 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.148 -2.971 4.084 1.00 1.00 C ATOM 0 H LEU A 68 2.886 -4.483 7.067 1.00 1.00 H new ATOM 0 HA LEU A 68 0.849 -5.311 5.234 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.844 -4.941 4.933 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.727 -5.197 3.608 1.00 1.00 H new ATOM 0 HG LEU A 68 2.728 -2.830 5.508 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.381 -1.553 3.508 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.581 -2.803 3.913 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.444 -3.064 2.569 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.997 -1.893 4.028 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.968 -3.414 3.105 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.454 -3.397 4.809 1.00 1.00 H new ATOM 1149 N ASP A 69 2.999 -7.511 6.334 1.00 1.00 N ATOM 1150 CA ASP A 69 3.275 -8.944 6.419 1.00 1.00 C ATOM 1151 C ASP A 69 2.059 -9.694 6.958 1.00 1.00 C ATOM 1152 O ASP A 69 1.851 -10.867 6.652 1.00 1.00 O ATOM 1153 CB ASP A 69 4.487 -9.204 7.317 1.00 1.00 C ATOM 1154 CG ASP A 69 4.775 -10.684 7.493 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.512 -11.251 6.663 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.268 -11.286 8.465 1.00 1.00 O ATOM 0 H ASP A 69 3.536 -6.940 6.987 1.00 1.00 H new ATOM 0 HA ASP A 69 3.495 -9.308 5.415 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.363 -8.715 6.890 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.315 -8.752 8.294 1.00 1.00 H new ATOM 1161 N TYR A 70 1.248 -8.990 7.744 1.00 1.00 N ATOM 1162 CA TYR A 70 0.033 -9.552 8.330 1.00 1.00 C ATOM 1163 C TYR A 70 -0.878 -10.114 7.245 1.00 1.00 C ATOM 1164 O TYR A 70 -1.488 -11.172 7.407 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.704 -8.453 9.100 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.894 -8.920 9.912 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -1.726 -9.445 11.186 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -3.187 -8.811 9.413 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -2.810 -9.850 11.940 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -4.276 -9.217 10.160 1.00 1.00 C ATOM 1171 CZ TYR A 70 -4.083 -9.734 11.423 1.00 1.00 C ATOM 1172 OH TYR A 70 -5.164 -10.131 12.177 1.00 1.00 O ATOM 0 H TYR A 70 1.414 -8.015 7.993 1.00 1.00 H new ATOM 0 HA TYR A 70 0.307 -10.363 9.004 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.003 -7.965 9.770 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -1.043 -7.699 8.390 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -0.731 -9.538 11.595 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -3.343 -8.402 8.425 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -2.661 -10.256 12.930 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -5.274 -9.130 9.756 1.00 1.00 H new ATOM 0 HH TYR A 70 -5.989 -9.983 11.669 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.948 -9.399 6.133 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.821 -9.767 5.029 1.00 1.00 C ATOM 1184 C TYR A 71 -1.084 -10.620 4.001 1.00 1.00 C ATOM 1185 O TYR A 71 -1.681 -11.077 3.025 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.373 -8.503 4.373 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.327 -7.731 5.255 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.670 -8.071 5.316 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.885 -6.661 6.025 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.547 -7.371 6.120 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.756 -5.955 6.830 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.086 -6.314 6.874 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.961 -5.613 7.671 1.00 1.00 O ATOM 0 H TYR A 71 -0.404 -8.551 5.971 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.645 -10.362 5.422 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.542 -7.855 4.096 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.885 -8.776 3.450 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -5.036 -8.897 4.725 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.843 -6.378 5.993 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.590 -7.651 6.158 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.397 -5.126 7.422 1.00 1.00 H new ATOM 0 HH TYR A 71 -5.768 -5.801 8.613 1.00 1.00 H new ATOM 1203 N MET A 72 0.208 -10.839 4.246 1.00 1.00 N ATOM 1204 CA MET A 72 1.071 -11.616 3.353 1.00 1.00 C ATOM 1205 C MET A 72 1.114 -11.014 1.951 1.00 1.00 C ATOM 1206 O MET A 72 0.415 -11.460 1.036 1.00 1.00 O ATOM 1207 CB MET A 72 0.637 -13.084 3.296 1.00 1.00 C ATOM 1208 CG MET A 72 0.707 -13.788 4.641 1.00 1.00 C ATOM 1209 SD MET A 72 0.342 -15.551 4.528 1.00 1.00 S ATOM 1210 CE MET A 72 1.709 -16.109 3.511 1.00 1.00 C ATOM 0 H MET A 72 0.688 -10.482 5.072 1.00 1.00 H new ATOM 0 HA MET A 72 2.079 -11.576 3.766 1.00 1.00 H new ATOM 0 HB2 MET A 72 -0.384 -13.139 2.919 1.00 1.00 H new ATOM 0 HB3 MET A 72 1.269 -13.614 2.584 1.00 1.00 H new ATOM 0 HG2 MET A 72 1.702 -13.654 5.064 1.00 1.00 H new ATOM 0 HG3 MET A 72 0.003 -13.319 5.328 1.00 1.00 H new ATOM 0 HE1 MET A 72 1.874 -17.174 3.676 1.00 1.00 H new ATOM 0 HE2 MET A 72 1.475 -15.936 2.460 1.00 1.00 H new ATOM 0 HE3 MET A 72 2.610 -15.557 3.778 1.00 1.00 H new ATOM 1220 N LEU A 73 1.932 -9.985 1.794 1.00 1.00 N ATOM 1221 CA LEU A 73 2.078 -9.302 0.518 1.00 1.00 C ATOM 1222 C LEU A 73 3.467 -9.563 -0.057 1.00 1.00 C ATOM 1223 O LEU A 73 4.422 -9.767 0.695 1.00 1.00 O ATOM 1224 CB LEU A 73 1.852 -7.801 0.706 1.00 1.00 C ATOM 1225 CG LEU A 73 0.523 -7.428 1.371 1.00 1.00 C ATOM 1226 CD1 LEU A 73 0.460 -5.933 1.637 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -0.650 -7.867 0.507 1.00 1.00 C ATOM 0 H LEU A 73 2.510 -9.602 2.542 1.00 1.00 H new ATOM 0 HA LEU A 73 1.335 -9.684 -0.182 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.668 -7.398 1.306 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.903 -7.316 -0.269 1.00 1.00 H new ATOM 0 HG LEU A 73 0.459 -7.950 2.326 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.491 -5.687 2.109 1.00 1.00 H new ATOM 0 HD12 LEU A 73 1.278 -5.646 2.298 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.548 -5.392 0.695 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.585 -7.593 0.996 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.591 -7.375 -0.464 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.616 -8.948 0.369 1.00 1.00 H new ATOM 1239 N ARG A 74 3.573 -9.577 -1.378 1.00 1.00 N ATOM 1240 CA ARG A 74 4.842 -9.839 -2.047 1.00 1.00 C ATOM 1241 C ARG A 74 5.000 -8.934 -3.262 1.00 1.00 C ATOM 1242 O ARG A 74 4.111 -8.143 -3.581 1.00 1.00 O ATOM 1243 CB ARG A 74 4.927 -11.302 -2.499 1.00 1.00 C ATOM 1244 CG ARG A 74 4.969 -12.310 -1.362 1.00 1.00 C ATOM 1245 CD ARG A 74 5.014 -13.732 -1.894 1.00 1.00 C ATOM 1246 NE ARG A 74 5.068 -14.726 -0.823 1.00 1.00 N ATOM 1247 CZ ARG A 74 4.748 -16.011 -0.984 1.00 1.00 C ATOM 1248 NH1 ARG A 74 4.382 -16.467 -2.177 1.00 1.00 N ATOM 1249 NH2 ARG A 74 4.804 -16.845 0.048 1.00 1.00 N ATOM 0 H ARG A 74 2.792 -9.409 -2.012 1.00 1.00 H new ATOM 0 HA ARG A 74 5.642 -9.636 -1.334 1.00 1.00 H new ATOM 0 HB2 ARG A 74 4.069 -11.524 -3.133 1.00 1.00 H new ATOM 0 HB3 ARG A 74 5.818 -11.428 -3.113 1.00 1.00 H new ATOM 0 HG2 ARG A 74 5.844 -12.124 -0.739 1.00 1.00 H new ATOM 0 HG3 ARG A 74 4.092 -12.183 -0.727 1.00 1.00 H new ATOM 0 HD2 ARG A 74 4.134 -13.914 -2.511 1.00 1.00 H new ATOM 0 HD3 ARG A 74 5.885 -13.849 -2.539 1.00 1.00 H new ATOM 0 HE ARG A 74 5.368 -14.419 0.102 1.00 1.00 H new ATOM 0 HH11 ARG A 74 4.345 -15.834 -2.976 1.00 1.00 H new ATOM 0 HH12 ARG A 74 4.138 -17.451 -2.294 1.00 1.00 H new ATOM 0 HH21 ARG A 74 5.092 -16.503 0.965 1.00 1.00 H new ATOM 0 HH22 ARG A 74 4.559 -17.827 -0.076 1.00 1.00 H new ATOM 1263 N ASN A 75 6.142 -9.055 -3.928 1.00 1.00 N ATOM 1264 CA ASN A 75 6.399 -8.332 -5.167 1.00 1.00 C ATOM 1265 C ASN A 75 5.403 -8.747 -6.243 1.00 1.00 C ATOM 1266 O ASN A 75 5.389 -9.902 -6.674 1.00 1.00 O ATOM 1267 CB ASN A 75 7.827 -8.608 -5.652 1.00 1.00 C ATOM 1268 CG ASN A 75 8.131 -7.953 -6.989 1.00 1.00 C ATOM 1269 OD1 ASN A 75 8.763 -6.791 -6.955 1.00 1.00 O flip ATOM 1270 ND2 ASN A 75 7.833 -8.505 -8.049 1.00 1.00 N flip ATOM 0 H ASN A 75 6.911 -9.653 -3.627 1.00 1.00 H new ATOM 0 HA ASN A 75 6.285 -7.265 -4.973 1.00 1.00 H new ATOM 0 HB2 ASN A 75 8.535 -8.247 -4.906 1.00 1.00 H new ATOM 0 HB3 ASN A 75 7.975 -9.684 -5.738 1.00 1.00 H new ATOM 0 HD21 ASN A 75 7.346 -9.401 -8.038 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.074 -8.066 -8.938 1.00 1.00 H new ATOM 1277 N GLY A 76 4.568 -7.810 -6.669 1.00 1.00 N ATOM 1278 CA GLY A 76 3.616 -8.100 -7.722 1.00 1.00 C ATOM 1279 C GLY A 76 2.177 -7.889 -7.296 1.00 1.00 C ATOM 1280 O GLY A 76 1.296 -7.723 -8.147 1.00 1.00 O ATOM 0 H GLY A 76 4.532 -6.857 -6.306 1.00 1.00 H new ATOM 0 HA2 GLY A 76 3.831 -7.466 -8.583 1.00 1.00 H new ATOM 0 HA3 GLY A 76 3.745 -9.133 -8.046 1.00 1.00 H new ATOM 1284 N ASP A 77 1.930 -7.892 -5.991 1.00 1.00 N ATOM 1285 CA ASP A 77 0.579 -7.686 -5.470 1.00 1.00 C ATOM 1286 C ASP A 77 0.096 -6.276 -5.776 1.00 1.00 C ATOM 1287 O ASP A 77 0.894 -5.385 -6.068 1.00 1.00 O ATOM 1288 CB ASP A 77 0.513 -7.943 -3.962 1.00 1.00 C ATOM 1289 CG ASP A 77 0.527 -9.418 -3.619 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.496 -10.096 -3.854 1.00 1.00 O ATOM 1291 OD2 ASP A 77 1.556 -9.908 -3.115 1.00 1.00 O ATOM 0 H ASP A 77 2.643 -8.034 -5.275 1.00 1.00 H new ATOM 0 HA ASP A 77 -0.075 -8.403 -5.966 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.357 -7.453 -3.477 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.393 -7.489 -3.560 1.00 1.00 H new ATOM 1296 N THR A 78 -1.207 -6.071 -5.717 1.00 1.00 N ATOM 1297 CA THR A 78 -1.786 -4.789 -6.066 1.00 1.00 C ATOM 1298 C THR A 78 -2.665 -4.253 -4.939 1.00 1.00 C ATOM 1299 O THR A 78 -3.532 -4.961 -4.425 1.00 1.00 O ATOM 1300 CB THR A 78 -2.624 -4.911 -7.351 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.863 -5.600 -8.355 1.00 1.00 O ATOM 1302 CG2 THR A 78 -3.036 -3.542 -7.873 1.00 1.00 C ATOM 0 H THR A 78 -1.884 -6.778 -5.430 1.00 1.00 H new ATOM 0 HA THR A 78 -0.965 -4.091 -6.230 1.00 1.00 H new ATOM 0 HB THR A 78 -3.529 -5.473 -7.118 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.397 -5.679 -9.173 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.627 -3.662 -8.781 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.631 -3.029 -7.118 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.145 -2.954 -8.094 1.00 1.00 H new ATOM 1310 N MET A 79 -2.430 -3.008 -4.550 1.00 1.00 N ATOM 1311 CA MET A 79 -3.275 -2.344 -3.570 1.00 1.00 C ATOM 1312 C MET A 79 -3.642 -0.966 -4.073 1.00 1.00 C ATOM 1313 O MET A 79 -2.790 -0.220 -4.544 1.00 1.00 O ATOM 1314 CB MET A 79 -2.590 -2.214 -2.208 1.00 1.00 C ATOM 1315 CG MET A 79 -2.069 -3.525 -1.651 1.00 1.00 C ATOM 1316 SD MET A 79 -1.685 -3.434 0.105 1.00 1.00 S ATOM 1317 CE MET A 79 -0.585 -2.024 0.144 1.00 1.00 C ATOM 0 H MET A 79 -1.660 -2.437 -4.899 1.00 1.00 H new ATOM 0 HA MET A 79 -4.167 -2.956 -3.438 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.760 -1.513 -2.296 1.00 1.00 H new ATOM 0 HB3 MET A 79 -3.296 -1.784 -1.497 1.00 1.00 H new ATOM 0 HG2 MET A 79 -2.812 -4.305 -1.816 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.173 -3.817 -2.199 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.018 -2.030 1.075 1.00 1.00 H new ATOM 0 HE2 MET A 79 0.103 -2.076 -0.700 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.168 -1.105 0.081 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.906 -0.633 -3.978 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.379 0.658 -4.414 1.00 1.00 C ATOM 1329 C GLU A 80 -5.503 1.594 -3.224 1.00 1.00 C ATOM 1330 O GLU A 80 -6.405 1.452 -2.399 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.722 0.513 -5.136 1.00 1.00 C ATOM 1332 CG GLU A 80 -7.270 1.824 -5.672 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.405 1.628 -6.651 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -9.569 1.544 -6.213 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.138 1.575 -7.868 1.00 1.00 O ATOM 0 H GLU A 80 -5.630 -1.243 -3.600 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.660 1.084 -5.114 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -6.606 -0.188 -5.963 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.449 0.079 -4.449 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -7.616 2.435 -4.839 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.467 2.376 -6.160 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.567 2.520 -3.108 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.664 3.552 -2.094 1.00 1.00 C ATOM 1344 C TYR A 81 -5.699 4.573 -2.547 1.00 1.00 C ATOM 1345 O TYR A 81 -5.449 5.389 -3.435 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.294 4.202 -1.834 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.342 5.432 -0.961 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.381 5.336 0.422 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -3.332 6.696 -1.531 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.411 6.469 1.213 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -3.363 7.829 -0.751 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.402 7.714 0.621 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.430 8.848 1.404 1.00 1.00 O ATOM 0 H TYR A 81 -3.738 2.578 -3.699 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.982 3.116 -1.147 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.639 3.466 -1.368 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.844 4.468 -2.791 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -3.388 4.362 0.888 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -3.299 6.793 -2.606 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -3.441 6.380 2.289 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -3.357 8.805 -1.213 1.00 1.00 H new ATOM 0 HH TYR A 81 -3.418 9.642 0.830 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.871 4.494 -1.941 1.00 1.00 N ATOM 1364 CA ARG A 82 -8.022 5.262 -2.379 1.00 1.00 C ATOM 1365 C ARG A 82 -8.772 5.830 -1.186 1.00 1.00 C ATOM 1366 O ARG A 82 -8.466 5.501 -0.035 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.960 4.381 -3.211 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.384 3.106 -2.499 1.00 1.00 C ATOM 1369 CD ARG A 82 -10.299 2.250 -3.362 1.00 1.00 C ATOM 1370 NE ARG A 82 -11.656 2.794 -3.465 1.00 1.00 N ATOM 1371 CZ ARG A 82 -12.496 2.512 -4.463 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -12.076 1.825 -5.518 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -13.746 2.950 -4.425 1.00 1.00 N ATOM 0 H ARG A 82 -7.051 3.897 -1.134 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.668 6.089 -2.995 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.849 4.955 -3.471 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.465 4.118 -4.146 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.499 2.531 -2.227 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.895 3.362 -1.571 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.871 2.162 -4.361 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -10.347 1.244 -2.946 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.977 3.425 -2.731 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -11.107 1.510 -5.569 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -12.722 1.612 -6.278 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -14.068 3.504 -3.632 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -14.386 2.733 -5.189 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.746 6.682 -1.464 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.542 7.292 -0.417 1.00 1.00 C ATOM 1389 C LYS A 83 -11.498 6.266 0.175 1.00 1.00 C ATOM 1390 O LYS A 83 -12.168 5.535 -0.555 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.319 8.490 -0.969 1.00 1.00 C ATOM 1392 CG LYS A 83 -12.027 9.305 0.099 1.00 1.00 C ATOM 1393 CD LYS A 83 -12.669 10.551 -0.487 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.296 11.417 0.593 1.00 1.00 C ATOM 1395 NZ LYS A 83 -13.883 12.660 0.031 1.00 1.00 N ATOM 0 H LYS A 83 -10.003 6.966 -2.409 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.877 7.646 0.370 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -10.631 9.139 -1.512 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -12.056 8.133 -1.689 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.790 8.693 0.579 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.314 9.591 0.872 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -11.918 11.128 -1.027 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -13.431 10.262 -1.211 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -14.071 10.850 1.109 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -12.541 11.675 1.336 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -14.301 13.224 0.798 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -13.139 13.213 -0.440 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -14.621 12.414 -0.659 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.540 6.204 1.492 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.404 5.263 2.187 1.00 1.00 C ATOM 1411 C LYS A 84 -13.844 5.752 2.155 1.00 1.00 C ATOM 1412 O LYS A 84 -14.105 6.926 1.886 1.00 1.00 O ATOM 1413 CB LYS A 84 -11.950 5.092 3.636 1.00 1.00 C ATOM 1414 CG LYS A 84 -10.472 4.775 3.784 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.057 4.590 5.240 1.00 1.00 C ATOM 1416 CE LYS A 84 -10.280 5.843 6.078 1.00 1.00 C ATOM 1417 NZ LYS A 84 -11.703 6.035 6.473 1.00 1.00 N ATOM 0 H LYS A 84 -10.983 6.797 2.107 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.342 4.299 1.682 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.172 6.006 4.187 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -12.531 4.293 4.097 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.241 3.868 3.226 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -9.885 5.580 3.342 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -10.621 3.763 5.672 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -9.004 4.313 5.281 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -9.664 5.787 6.976 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -9.945 6.714 5.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -12.079 6.888 6.012 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -12.260 5.208 6.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -11.765 6.144 7.505 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.775 4.857 2.429 1.00 1.00 N ATOM 1432 CA GLN A 85 -16.180 5.215 2.451 1.00 1.00 C ATOM 1433 C GLN A 85 -16.670 5.261 3.893 1.00 1.00 C ATOM 1434 O GLN A 85 -16.989 4.186 4.447 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.999 4.211 1.634 1.00 1.00 C ATOM 1436 CG GLN A 85 -18.405 4.688 1.295 1.00 1.00 C ATOM 1437 CD GLN A 85 -18.408 5.890 0.368 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -18.387 5.747 -0.856 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -18.455 7.085 0.937 1.00 1.00 N ATOM 1440 OXT GLN A 85 -16.709 6.367 4.474 1.00 1.00 O ATOM 0 H GLN A 85 -14.583 3.877 2.639 1.00 1.00 H new ATOM 0 HA GLN A 85 -16.307 6.200 2.002 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -16.467 3.993 0.708 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -17.068 3.276 2.190 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -18.958 3.873 0.828 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -18.930 4.943 2.216 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -18.471 7.165 1.954 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -18.475 7.925 0.359 1.00 1.00 H new