USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 70 ASN : amide:sc= -4.71! C(o=-10!,f=-13!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -5.58! C(o=-10!,f=-12!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.0115 K(o=-0.012,f=-1.6!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 67:sc= 1.15 USER MOD Single : A 15 SER OG : rot 74:sc= 0.903 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 80:sc= 0.356 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= -0.0845 (180deg=-0.631) USER MOD Single : A 39 ASN : amide:sc= -2.52! C(o=-2.5!,f=-2.6!) USER MOD Single : A 42 SER OG : rot -24:sc= 0.225 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.388 K(o=-0.39,f=-1.4) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= -0.352 (180deg=-1.03) USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= -0.0558 (180deg=-0.539) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -3.39! K(o=-3.4!,f=-1) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -29:sc= 0.597 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -110:sc= -2.97 USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -8.673 -13.241 3.638 1.00 0.00 N ATOM 111 CA HIS A 7 -8.202 -13.491 5.035 1.00 0.00 C ATOM 112 C HIS A 7 -6.654 -13.542 5.068 1.00 0.00 C ATOM 113 O HIS A 7 -6.040 -12.995 5.966 1.00 0.00 O ATOM 114 CB HIS A 7 -8.826 -14.828 5.556 1.00 0.00 C ATOM 115 CG HIS A 7 -9.524 -14.627 6.886 1.00 0.00 C ATOM 116 ND1 HIS A 7 -8.825 -14.479 8.074 1.00 0.00 N ATOM 117 CD2 HIS A 7 -10.854 -14.546 7.222 1.00 0.00 C ATOM 118 CE1 HIS A 7 -9.729 -14.318 9.060 1.00 0.00 C ATOM 119 NE2 HIS A 7 -10.980 -14.352 8.595 1.00 0.00 N ATOM 0 HA HIS A 7 -8.524 -12.680 5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.537 -15.210 4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.044 -15.580 5.663 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.677 -14.621 6.527 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.473 -14.178 10.100 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.843 -14.256 9.131 1.00 0.00 H new ATOM 127 N PRO A 8 -6.023 -14.190 4.111 1.00 0.00 N ATOM 128 CA PRO A 8 -4.528 -14.295 4.068 1.00 0.00 C ATOM 129 C PRO A 8 -3.863 -12.913 3.946 1.00 0.00 C ATOM 130 O PRO A 8 -4.315 -12.060 3.208 1.00 0.00 O ATOM 131 CB PRO A 8 -4.249 -15.172 2.815 1.00 0.00 C ATOM 132 CG PRO A 8 -5.552 -15.871 2.543 1.00 0.00 C ATOM 133 CD PRO A 8 -6.642 -14.891 2.978 1.00 0.00 C ATOM 0 HA PRO A 8 -4.117 -14.726 4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.941 -14.563 1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.447 -15.887 3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.649 -16.122 1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.620 -16.805 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.910 -14.203 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.555 -15.408 3.273 1.00 0.00 H new ATOM 141 N LEU A 9 -2.792 -12.692 4.658 1.00 0.00 N ATOM 142 CA LEU A 9 -2.102 -11.375 4.577 1.00 0.00 C ATOM 143 C LEU A 9 -1.541 -11.191 3.159 1.00 0.00 C ATOM 144 O LEU A 9 -1.615 -10.122 2.587 1.00 0.00 O ATOM 145 CB LEU A 9 -0.957 -11.330 5.612 1.00 0.00 C ATOM 146 CG LEU A 9 -1.497 -11.057 7.042 1.00 0.00 C ATOM 147 CD1 LEU A 9 -2.026 -9.607 7.187 1.00 0.00 C ATOM 148 CD2 LEU A 9 -2.617 -12.059 7.380 1.00 0.00 C ATOM 0 H LEU A 9 -2.365 -13.367 5.292 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.805 -10.571 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.416 -12.276 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.245 -10.552 5.336 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.669 -11.182 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.395 -9.454 8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.219 -8.903 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.837 -9.443 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.991 -11.861 8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.430 -11.951 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.223 -13.074 7.333 1.00 0.00 H new ATOM 160 N GLN A 10 -0.971 -12.223 2.597 1.00 0.00 N ATOM 161 CA GLN A 10 -0.392 -12.109 1.226 1.00 0.00 C ATOM 162 C GLN A 10 -1.508 -11.844 0.210 1.00 0.00 C ATOM 163 O GLN A 10 -1.386 -10.994 -0.649 1.00 0.00 O ATOM 164 CB GLN A 10 0.331 -13.412 0.867 1.00 0.00 C ATOM 165 CG GLN A 10 1.025 -13.261 -0.488 1.00 0.00 C ATOM 166 CD GLN A 10 1.867 -14.504 -0.774 1.00 0.00 C ATOM 167 OE1 GLN A 10 2.163 -15.273 0.118 1.00 0.00 O ATOM 168 NE2 GLN A 10 2.270 -14.734 -1.993 1.00 0.00 N ATOM 0 H GLN A 10 -0.881 -13.143 3.029 1.00 0.00 H new ATOM 0 HA GLN A 10 0.316 -11.281 1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.064 -13.656 1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.381 -14.236 0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.283 -13.123 -1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.657 -12.373 -0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.022 -14.088 -2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.833 -15.559 -2.197 1.00 0.00 H new ATOM 177 N ASP A 11 -2.590 -12.568 0.296 1.00 0.00 N ATOM 178 CA ASP A 11 -3.706 -12.357 -0.671 1.00 0.00 C ATOM 179 C ASP A 11 -4.293 -10.957 -0.482 1.00 0.00 C ATOM 180 O ASP A 11 -4.704 -10.311 -1.424 1.00 0.00 O ATOM 181 CB ASP A 11 -4.799 -13.409 -0.435 1.00 0.00 C ATOM 182 CG ASP A 11 -5.822 -13.369 -1.576 1.00 0.00 C ATOM 183 OD1 ASP A 11 -5.500 -12.829 -2.622 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.913 -13.879 -1.382 1.00 0.00 O ATOM 0 H ASP A 11 -2.750 -13.296 0.993 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.324 -12.454 -1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.352 -14.401 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.296 -13.221 0.517 1.00 0.00 H new ATOM 189 N MET A 12 -4.345 -10.489 0.735 1.00 0.00 N ATOM 190 CA MET A 12 -4.913 -9.136 0.992 1.00 0.00 C ATOM 191 C MET A 12 -4.079 -8.075 0.266 1.00 0.00 C ATOM 192 O MET A 12 -4.569 -7.367 -0.588 1.00 0.00 O ATOM 193 CB MET A 12 -4.895 -8.870 2.499 1.00 0.00 C ATOM 194 CG MET A 12 -5.624 -7.562 2.808 1.00 0.00 C ATOM 195 SD MET A 12 -5.685 -7.326 4.603 1.00 0.00 S ATOM 196 CE MET A 12 -6.849 -5.940 4.619 1.00 0.00 C ATOM 0 H MET A 12 -4.018 -10.986 1.563 1.00 0.00 H new ATOM 0 HA MET A 12 -5.937 -9.090 0.622 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.372 -9.695 3.028 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.866 -8.815 2.855 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.110 -6.725 2.336 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.634 -7.588 2.398 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.031 -5.630 5.648 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.429 -5.106 4.057 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.789 -6.249 4.161 1.00 0.00 H new ATOM 206 N PHE A 13 -2.820 -7.956 0.601 1.00 0.00 N ATOM 207 CA PHE A 13 -1.964 -6.935 -0.073 1.00 0.00 C ATOM 208 C PHE A 13 -1.771 -7.296 -1.551 1.00 0.00 C ATOM 209 O PHE A 13 -1.782 -6.436 -2.408 1.00 0.00 O ATOM 210 CB PHE A 13 -0.592 -6.860 0.618 1.00 0.00 C ATOM 211 CG PHE A 13 -0.750 -6.267 2.008 1.00 0.00 C ATOM 212 CD1 PHE A 13 -1.074 -4.912 2.146 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.568 -7.059 3.154 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.216 -4.348 3.420 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.712 -6.492 4.427 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.034 -5.138 4.560 1.00 0.00 C ATOM 0 H PHE A 13 -2.349 -8.519 1.309 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.459 -5.966 -0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.153 -7.855 0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.091 -6.249 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.215 -4.300 1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.317 -8.105 3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.466 -3.302 3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.574 -7.102 5.307 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.142 -4.702 5.542 1.00 0.00 H new ATOM 226 N THR A 14 -1.581 -8.551 -1.865 1.00 0.00 N ATOM 227 CA THR A 14 -1.375 -8.932 -3.294 1.00 0.00 C ATOM 228 C THR A 14 -2.614 -8.566 -4.114 1.00 0.00 C ATOM 229 O THR A 14 -2.515 -8.011 -5.188 1.00 0.00 O ATOM 230 CB THR A 14 -1.121 -10.443 -3.390 1.00 0.00 C ATOM 231 OG1 THR A 14 0.044 -10.770 -2.644 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.913 -10.850 -4.854 1.00 0.00 C ATOM 0 H THR A 14 -1.560 -9.324 -1.199 1.00 0.00 H new ATOM 0 HA THR A 14 -0.514 -8.393 -3.689 1.00 0.00 H new ATOM 0 HB THR A 14 -1.983 -10.976 -2.989 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.126 -10.622 -1.690 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.734 -11.924 -4.911 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.803 -10.600 -5.431 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.054 -10.316 -5.261 1.00 0.00 H new ATOM 240 N SER A 15 -3.780 -8.884 -3.627 1.00 0.00 N ATOM 241 CA SER A 15 -5.016 -8.563 -4.397 1.00 0.00 C ATOM 242 C SER A 15 -5.107 -7.053 -4.634 1.00 0.00 C ATOM 243 O SER A 15 -5.424 -6.605 -5.718 1.00 0.00 O ATOM 244 CB SER A 15 -6.241 -9.026 -3.607 1.00 0.00 C ATOM 245 OG SER A 15 -6.171 -10.432 -3.418 1.00 0.00 O ATOM 0 H SER A 15 -3.932 -9.351 -2.733 1.00 0.00 H new ATOM 0 HA SER A 15 -4.981 -9.076 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.280 -8.519 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.154 -8.764 -4.142 1.00 0.00 H new ATOM 0 HG SER A 15 -5.486 -10.638 -2.749 1.00 0.00 H new ATOM 251 N ALA A 16 -4.839 -6.264 -3.631 1.00 0.00 N ATOM 252 CA ALA A 16 -4.920 -4.785 -3.802 1.00 0.00 C ATOM 253 C ALA A 16 -3.777 -4.280 -4.685 1.00 0.00 C ATOM 254 O ALA A 16 -3.982 -3.495 -5.589 1.00 0.00 O ATOM 255 CB ALA A 16 -4.818 -4.115 -2.432 1.00 0.00 C ATOM 0 H ALA A 16 -4.567 -6.579 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.870 -4.540 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.877 -3.033 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.637 -4.455 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.867 -4.378 -1.968 1.00 0.00 H new ATOM 261 N ILE A 17 -2.574 -4.716 -4.427 1.00 0.00 N ATOM 262 CA ILE A 17 -1.420 -4.239 -5.243 1.00 0.00 C ATOM 263 C ILE A 17 -1.612 -4.667 -6.698 1.00 0.00 C ATOM 264 O ILE A 17 -1.420 -3.887 -7.606 1.00 0.00 O ATOM 265 CB ILE A 17 -0.123 -4.852 -4.676 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.147 -4.257 -3.278 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.069 -4.547 -5.603 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.238 -5.066 -2.571 1.00 0.00 C ATOM 0 H ILE A 17 -2.340 -5.380 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.356 -3.152 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.242 -5.933 -4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.456 -3.216 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.768 -4.268 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.975 -4.987 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.880 -4.970 -6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.196 -3.468 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.424 -4.641 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.913 -6.101 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.155 -5.033 -3.160 1.00 0.00 H new ATOM 280 N GLU A 18 -1.994 -5.888 -6.931 1.00 0.00 N ATOM 281 CA GLU A 18 -2.197 -6.347 -8.333 1.00 0.00 C ATOM 282 C GLU A 18 -3.400 -5.613 -8.931 1.00 0.00 C ATOM 283 O GLU A 18 -3.444 -5.335 -10.113 1.00 0.00 O ATOM 284 CB GLU A 18 -2.441 -7.860 -8.339 1.00 0.00 C ATOM 285 CG GLU A 18 -1.179 -8.594 -7.863 1.00 0.00 C ATOM 286 CD GLU A 18 -0.057 -8.429 -8.892 1.00 0.00 C ATOM 287 OE1 GLU A 18 -0.293 -8.730 -10.050 1.00 0.00 O ATOM 288 OE2 GLU A 18 1.017 -8.000 -8.502 1.00 0.00 O ATOM 0 H GLU A 18 -2.175 -6.589 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.312 -6.129 -8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.281 -8.104 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.708 -8.190 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.860 -8.198 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.397 -9.652 -7.717 1.00 0.00 H new ATOM 295 N ALA A 19 -4.374 -5.296 -8.124 1.00 0.00 N ATOM 296 CA ALA A 19 -5.571 -4.579 -8.644 1.00 0.00 C ATOM 297 C ALA A 19 -5.170 -3.184 -9.135 1.00 0.00 C ATOM 298 O ALA A 19 -5.828 -2.613 -9.981 1.00 0.00 O ATOM 299 CB ALA A 19 -6.615 -4.449 -7.534 1.00 0.00 C ATOM 0 H ALA A 19 -4.392 -5.503 -7.125 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.993 -5.145 -9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.490 -3.924 -7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.908 -5.442 -7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.192 -3.889 -6.700 1.00 0.00 H new ATOM 305 N VAL A 20 -4.098 -2.625 -8.603 1.00 0.00 N ATOM 306 CA VAL A 20 -3.644 -1.251 -9.030 1.00 0.00 C ATOM 307 C VAL A 20 -2.141 -1.256 -9.330 1.00 0.00 C ATOM 308 O VAL A 20 -1.507 -0.219 -9.346 1.00 0.00 O ATOM 309 CB VAL A 20 -3.960 -0.233 -7.915 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.423 -0.395 -7.494 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.041 -0.456 -6.696 1.00 0.00 C ATOM 0 H VAL A 20 -3.516 -3.063 -7.889 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.176 -0.966 -9.938 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.788 0.775 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.656 0.321 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.071 -0.214 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.585 -1.407 -7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.281 0.273 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.191 -1.463 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.001 -0.336 -6.998 1.00 0.00 H new ATOM 321 N ALA A 21 -1.558 -2.404 -9.568 1.00 0.00 N ATOM 322 CA ALA A 21 -0.096 -2.441 -9.869 1.00 0.00 C ATOM 323 C ALA A 21 0.170 -1.624 -11.135 1.00 0.00 C ATOM 324 O ALA A 21 1.258 -1.127 -11.344 1.00 0.00 O ATOM 325 CB ALA A 21 0.353 -3.892 -10.084 1.00 0.00 C ATOM 0 H ALA A 21 -2.027 -3.310 -9.567 1.00 0.00 H new ATOM 0 HA ALA A 21 0.463 -2.019 -9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.420 -3.914 -10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.156 -4.471 -9.182 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.198 -4.323 -10.920 1.00 0.00 H new ATOM 331 N ARG A 22 -0.822 -1.480 -11.980 1.00 0.00 N ATOM 332 CA ARG A 22 -0.644 -0.686 -13.235 1.00 0.00 C ATOM 333 C ARG A 22 0.597 -1.175 -14.004 1.00 0.00 C ATOM 334 O ARG A 22 1.296 -2.075 -13.577 1.00 0.00 O ATOM 335 CB ARG A 22 -0.474 0.803 -12.874 1.00 0.00 C ATOM 336 CG ARG A 22 -1.826 1.441 -12.453 1.00 0.00 C ATOM 337 CD ARG A 22 -1.579 2.785 -11.700 1.00 0.00 C ATOM 338 NE ARG A 22 -2.634 3.792 -12.072 1.00 0.00 N ATOM 339 CZ ARG A 22 -2.998 4.738 -11.237 1.00 0.00 C ATOM 340 NH1 ARG A 22 -2.462 4.834 -10.049 1.00 0.00 N ATOM 341 NH2 ARG A 22 -3.896 5.599 -11.608 1.00 0.00 N ATOM 0 H ARG A 22 -1.751 -1.880 -11.853 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.522 -0.815 -13.867 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.246 0.902 -12.061 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.066 1.342 -13.729 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.443 1.618 -13.334 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.377 0.753 -11.812 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.592 2.615 -10.623 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.591 3.173 -11.949 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.075 3.739 -12.990 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.748 4.167 -9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.758 5.576 -9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.310 5.536 -12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.188 6.339 -10.969 1.00 0.00 H new ATOM 355 N ASP A 23 0.860 -0.583 -15.138 1.00 0.00 N ATOM 356 CA ASP A 23 2.037 -1.000 -15.954 1.00 0.00 C ATOM 357 C ASP A 23 3.337 -0.612 -15.238 1.00 0.00 C ATOM 358 O ASP A 23 4.392 -1.129 -15.539 1.00 0.00 O ATOM 359 CB ASP A 23 1.985 -0.299 -17.319 1.00 0.00 C ATOM 360 CG ASP A 23 0.815 -0.846 -18.141 1.00 0.00 C ATOM 361 OD1 ASP A 23 0.297 -1.891 -17.783 1.00 0.00 O ATOM 362 OD2 ASP A 23 0.456 -0.208 -19.120 1.00 0.00 O ATOM 0 H ASP A 23 0.307 0.176 -15.536 1.00 0.00 H new ATOM 0 HA ASP A 23 2.010 -2.081 -16.090 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.873 0.776 -17.181 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.922 -0.456 -17.854 1.00 0.00 H new ATOM 367 N SER A 24 3.278 0.297 -14.299 1.00 0.00 N ATOM 368 CA SER A 24 4.524 0.708 -13.582 1.00 0.00 C ATOM 369 C SER A 24 4.936 -0.393 -12.604 1.00 0.00 C ATOM 370 O SER A 24 5.983 -0.333 -11.990 1.00 0.00 O ATOM 371 CB SER A 24 4.264 2.003 -12.811 1.00 0.00 C ATOM 372 OG SER A 24 3.944 3.040 -13.727 1.00 0.00 O ATOM 0 H SER A 24 2.426 0.771 -13.998 1.00 0.00 H new ATOM 0 HA SER A 24 5.323 0.869 -14.305 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.446 1.861 -12.105 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.144 2.276 -12.229 1.00 0.00 H new ATOM 0 HG SER A 24 3.775 3.871 -13.235 1.00 0.00 H new ATOM 378 N GLY A 25 4.120 -1.400 -12.459 1.00 0.00 N ATOM 379 CA GLY A 25 4.455 -2.515 -11.525 1.00 0.00 C ATOM 380 C GLY A 25 4.277 -2.050 -10.079 1.00 0.00 C ATOM 381 O GLY A 25 3.595 -2.680 -9.294 1.00 0.00 O ATOM 0 H GLY A 25 3.231 -1.500 -12.949 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.812 -3.373 -11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.482 -2.842 -11.688 1.00 0.00 H new ATOM 385 N TRP A 26 4.884 -0.953 -9.720 1.00 0.00 N ATOM 386 CA TRP A 26 4.750 -0.450 -8.323 1.00 0.00 C ATOM 387 C TRP A 26 3.281 -0.134 -8.039 1.00 0.00 C ATOM 388 O TRP A 26 2.427 -0.267 -8.895 1.00 0.00 O ATOM 389 CB TRP A 26 5.591 0.821 -8.148 1.00 0.00 C ATOM 390 CG TRP A 26 7.046 0.477 -8.217 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.806 0.535 -9.335 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.926 0.028 -7.146 1.00 0.00 C ATOM 393 NE1 TRP A 26 9.094 0.142 -9.020 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.218 -0.183 -7.683 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.728 -0.222 -5.776 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.277 -0.621 -6.888 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.792 -0.663 -4.972 1.00 0.00 C ATOM 398 CH2 TRP A 26 10.063 -0.865 -5.529 1.00 0.00 C ATOM 0 H TRP A 26 5.467 -0.383 -10.333 1.00 0.00 H new ATOM 0 HA TRP A 26 5.102 -1.212 -7.627 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.341 1.544 -8.925 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.363 1.290 -7.191 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.463 0.838 -10.313 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.859 0.098 -9.693 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.751 -0.074 -5.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.256 -0.771 -7.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.631 -0.847 -3.920 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.876 -1.209 -4.908 1.00 0.00 H new ATOM 409 N ALA A 27 2.982 0.300 -6.841 1.00 0.00 N ATOM 410 CA ALA A 27 1.575 0.646 -6.479 1.00 0.00 C ATOM 411 C ALA A 27 1.601 1.719 -5.390 1.00 0.00 C ATOM 412 O ALA A 27 2.331 1.617 -4.425 1.00 0.00 O ATOM 413 CB ALA A 27 0.863 -0.605 -5.954 1.00 0.00 C ATOM 0 H ALA A 27 3.660 0.431 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 27 1.043 1.019 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.164 -0.355 -5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.862 -1.374 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.385 -0.977 -5.072 1.00 0.00 H new ATOM 419 N GLU A 28 0.817 2.750 -5.539 1.00 0.00 N ATOM 420 CA GLU A 28 0.806 3.835 -4.513 1.00 0.00 C ATOM 421 C GLU A 28 0.084 3.339 -3.258 1.00 0.00 C ATOM 422 O GLU A 28 -0.985 2.768 -3.332 1.00 0.00 O ATOM 423 CB GLU A 28 0.068 5.056 -5.073 1.00 0.00 C ATOM 424 CG GLU A 28 0.803 5.592 -6.307 1.00 0.00 C ATOM 425 CD GLU A 28 2.178 6.133 -5.906 1.00 0.00 C ATOM 426 OE1 GLU A 28 2.361 6.423 -4.734 1.00 0.00 O ATOM 427 OE2 GLU A 28 3.025 6.246 -6.778 1.00 0.00 O ATOM 0 H GLU A 28 0.183 2.890 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 28 1.830 4.110 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.954 4.784 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.004 5.833 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.917 4.798 -7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.215 6.381 -6.776 1.00 0.00 H new ATOM 434 N LEU A 29 0.667 3.539 -2.106 1.00 0.00 N ATOM 435 CA LEU A 29 0.026 3.063 -0.845 1.00 0.00 C ATOM 436 C LEU A 29 -1.393 3.628 -0.747 1.00 0.00 C ATOM 437 O LEU A 29 -2.306 2.960 -0.304 1.00 0.00 O ATOM 438 CB LEU A 29 0.862 3.531 0.357 1.00 0.00 C ATOM 439 CG LEU A 29 0.281 3.000 1.692 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.396 1.458 1.768 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.054 3.632 2.862 1.00 0.00 C ATOM 0 H LEU A 29 1.562 4.013 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.025 1.974 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.890 3.186 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.892 4.620 0.379 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.774 3.269 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.018 1.108 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.157 1.011 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.445 1.168 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.651 3.264 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.108 3.365 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.951 4.716 2.823 1.00 0.00 H new ATOM 453 N SER A 30 -1.593 4.852 -1.151 1.00 0.00 N ATOM 454 CA SER A 30 -2.960 5.441 -1.072 1.00 0.00 C ATOM 455 C SER A 30 -3.933 4.574 -1.876 1.00 0.00 C ATOM 456 O SER A 30 -5.020 4.269 -1.427 1.00 0.00 O ATOM 457 CB SER A 30 -2.934 6.855 -1.656 1.00 0.00 C ATOM 458 OG SER A 30 -4.266 7.291 -1.894 1.00 0.00 O ATOM 0 H SER A 30 -0.873 5.467 -1.531 1.00 0.00 H new ATOM 0 HA SER A 30 -3.284 5.481 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.434 7.536 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.364 6.866 -2.585 1.00 0.00 H new ATOM 0 HG SER A 30 -4.252 8.197 -2.267 1.00 0.00 H new ATOM 464 N ALA A 31 -3.553 4.169 -3.059 1.00 0.00 N ATOM 465 CA ALA A 31 -4.462 3.318 -3.878 1.00 0.00 C ATOM 466 C ALA A 31 -4.706 1.990 -3.154 1.00 0.00 C ATOM 467 O ALA A 31 -5.810 1.484 -3.124 1.00 0.00 O ATOM 468 CB ALA A 31 -3.817 3.043 -5.239 1.00 0.00 C ATOM 0 H ALA A 31 -2.656 4.390 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.411 3.835 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.482 2.421 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.641 3.987 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.869 2.526 -5.094 1.00 0.00 H new ATOM 474 N VAL A 32 -3.685 1.425 -2.566 1.00 0.00 N ATOM 475 CA VAL A 32 -3.860 0.135 -1.841 1.00 0.00 C ATOM 476 C VAL A 32 -4.835 0.341 -0.681 1.00 0.00 C ATOM 477 O VAL A 32 -5.754 -0.429 -0.480 1.00 0.00 O ATOM 478 CB VAL A 32 -2.496 -0.318 -1.292 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.654 -1.579 -0.424 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.553 -0.615 -2.464 1.00 0.00 C ATOM 0 H VAL A 32 -2.737 1.802 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.254 -0.624 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.081 0.479 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.679 -1.884 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.318 -1.364 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.078 -2.384 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.585 -0.936 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.979 -1.405 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.424 0.285 -3.065 1.00 0.00 H new ATOM 490 N GLY A 33 -4.628 1.367 0.092 1.00 0.00 N ATOM 491 CA GLY A 33 -5.525 1.613 1.252 1.00 0.00 C ATOM 492 C GLY A 33 -6.955 1.865 0.768 1.00 0.00 C ATOM 493 O GLY A 33 -7.897 1.278 1.263 1.00 0.00 O ATOM 0 H GLY A 33 -3.877 2.046 -0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.506 0.755 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.169 2.472 1.821 1.00 0.00 H new ATOM 497 N SER A 34 -7.129 2.732 -0.189 1.00 0.00 N ATOM 498 CA SER A 34 -8.502 3.015 -0.693 1.00 0.00 C ATOM 499 C SER A 34 -9.115 1.738 -1.274 1.00 0.00 C ATOM 500 O SER A 34 -10.271 1.437 -1.053 1.00 0.00 O ATOM 501 CB SER A 34 -8.435 4.087 -1.780 1.00 0.00 C ATOM 502 OG SER A 34 -7.853 5.266 -1.239 1.00 0.00 O ATOM 0 H SER A 34 -6.382 3.256 -0.644 1.00 0.00 H new ATOM 0 HA SER A 34 -9.121 3.368 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.845 3.730 -2.624 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.435 4.301 -2.158 1.00 0.00 H new ATOM 0 HG SER A 34 -6.878 5.169 -1.216 1.00 0.00 H new ATOM 508 N TYR A 35 -8.352 0.990 -2.023 1.00 0.00 N ATOM 509 CA TYR A 35 -8.893 -0.260 -2.627 1.00 0.00 C ATOM 510 C TYR A 35 -9.339 -1.211 -1.513 1.00 0.00 C ATOM 511 O TYR A 35 -10.419 -1.766 -1.553 1.00 0.00 O ATOM 512 CB TYR A 35 -7.801 -0.928 -3.467 1.00 0.00 C ATOM 513 CG TYR A 35 -8.338 -2.199 -4.097 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.976 -2.146 -5.344 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.195 -3.430 -3.440 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.467 -3.318 -5.932 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.687 -4.602 -4.030 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.324 -4.546 -5.276 1.00 0.00 C ATOM 519 OH TYR A 35 -9.808 -5.701 -5.857 1.00 0.00 O ATOM 0 H TYR A 35 -7.376 1.191 -2.243 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.746 -0.023 -3.262 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.458 -0.244 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.939 -1.158 -2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.089 -1.200 -5.852 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.705 -3.475 -2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.957 -3.274 -6.893 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.575 -5.549 -3.523 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.625 -6.464 -5.270 1.00 0.00 H new ATOM 529 N LEU A 36 -8.516 -1.404 -0.521 1.00 0.00 N ATOM 530 CA LEU A 36 -8.888 -2.319 0.595 1.00 0.00 C ATOM 531 C LEU A 36 -10.119 -1.761 1.311 1.00 0.00 C ATOM 532 O LEU A 36 -11.015 -2.493 1.683 1.00 0.00 O ATOM 533 CB LEU A 36 -7.719 -2.422 1.582 1.00 0.00 C ATOM 534 CG LEU A 36 -6.522 -3.156 0.933 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.275 -2.960 1.808 1.00 0.00 C ATOM 536 CD2 LEU A 36 -6.810 -4.672 0.780 1.00 0.00 C ATOM 0 H LEU A 36 -7.599 -0.966 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.113 -3.310 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.413 -1.424 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.038 -2.956 2.477 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.357 -2.737 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.428 -3.475 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.051 -1.896 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.460 -3.369 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.951 -5.161 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.994 -5.108 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.688 -4.814 0.149 1.00 0.00 H new ATOM 548 N ALA A 37 -10.174 -0.471 1.511 1.00 0.00 N ATOM 549 CA ALA A 37 -11.352 0.121 2.207 1.00 0.00 C ATOM 550 C ALA A 37 -12.626 -0.243 1.441 1.00 0.00 C ATOM 551 O ALA A 37 -13.597 -0.689 2.012 1.00 0.00 O ATOM 552 CB ALA A 37 -11.204 1.645 2.257 1.00 0.00 C ATOM 0 H ALA A 37 -9.457 0.195 1.224 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.411 -0.270 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.065 2.078 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.294 1.905 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.147 2.038 1.242 1.00 0.00 H new ATOM 558 N LYS A 38 -12.627 -0.058 0.148 1.00 0.00 N ATOM 559 CA LYS A 38 -13.837 -0.393 -0.651 1.00 0.00 C ATOM 560 C LYS A 38 -14.126 -1.891 -0.520 1.00 0.00 C ATOM 561 O LYS A 38 -15.261 -2.303 -0.385 1.00 0.00 O ATOM 562 CB LYS A 38 -13.581 -0.052 -2.128 1.00 0.00 C ATOM 563 CG LYS A 38 -13.318 1.462 -2.315 1.00 0.00 C ATOM 564 CD LYS A 38 -14.631 2.262 -2.278 1.00 0.00 C ATOM 565 CE LYS A 38 -14.336 3.737 -2.560 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.803 3.885 -3.944 1.00 0.00 N ATOM 0 H LYS A 38 -11.841 0.311 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.690 0.180 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.725 -0.620 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.441 -0.351 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.650 1.818 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.812 1.631 -3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.329 1.871 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.108 2.155 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.244 4.328 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.613 4.118 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.966 4.857 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.783 3.685 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.288 3.217 -4.576 1.00 0.00 H new ATOM 580 N ASN A 39 -13.108 -2.708 -0.556 1.00 0.00 N ATOM 581 CA ASN A 39 -13.317 -4.182 -0.431 1.00 0.00 C ATOM 582 C ASN A 39 -13.498 -4.543 1.045 1.00 0.00 C ATOM 583 O ASN A 39 -13.864 -5.651 1.383 1.00 0.00 O ATOM 584 CB ASN A 39 -12.092 -4.912 -0.985 1.00 0.00 C ATOM 585 CG ASN A 39 -11.994 -4.675 -2.493 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.753 -5.234 -3.258 1.00 0.00 O ATOM 587 ND2 ASN A 39 -11.087 -3.860 -2.953 1.00 0.00 N ATOM 0 H ASN A 39 -12.136 -2.418 -0.667 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.204 -4.477 -0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.189 -4.555 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.168 -5.980 -0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.015 -3.691 -3.956 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.450 -3.391 -2.310 1.00 0.00 H new ATOM 594 N ASP A 40 -13.252 -3.611 1.928 1.00 0.00 N ATOM 595 CA ASP A 40 -13.416 -3.894 3.385 1.00 0.00 C ATOM 596 C ASP A 40 -13.446 -2.572 4.162 1.00 0.00 C ATOM 597 O ASP A 40 -12.511 -2.245 4.868 1.00 0.00 O ATOM 598 CB ASP A 40 -12.246 -4.751 3.876 1.00 0.00 C ATOM 599 CG ASP A 40 -12.500 -5.191 5.321 1.00 0.00 C ATOM 600 OD1 ASP A 40 -13.290 -4.541 5.987 1.00 0.00 O ATOM 601 OD2 ASP A 40 -11.900 -6.169 5.737 1.00 0.00 O ATOM 0 H ASP A 40 -12.944 -2.665 1.703 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.350 -4.432 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.128 -5.625 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.317 -4.184 3.816 1.00 0.00 H new ATOM 606 N PRO A 41 -14.512 -1.812 4.039 1.00 0.00 N ATOM 607 CA PRO A 41 -14.656 -0.502 4.752 1.00 0.00 C ATOM 608 C PRO A 41 -14.520 -0.671 6.272 1.00 0.00 C ATOM 609 O PRO A 41 -14.075 0.216 6.972 1.00 0.00 O ATOM 610 CB PRO A 41 -16.079 -0.029 4.360 1.00 0.00 C ATOM 611 CG PRO A 41 -16.364 -0.735 3.069 1.00 0.00 C ATOM 612 CD PRO A 41 -15.700 -2.107 3.213 1.00 0.00 C ATOM 0 HA PRO A 41 -13.882 0.215 4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -16.810 -0.290 5.126 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -16.118 1.053 4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.437 -0.831 2.900 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.956 -0.186 2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.360 -2.827 3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.425 -2.527 2.245 1.00 0.00 H new ATOM 620 N SER A 42 -14.915 -1.805 6.776 1.00 0.00 N ATOM 621 CA SER A 42 -14.832 -2.051 8.242 1.00 0.00 C ATOM 622 C SER A 42 -13.389 -1.874 8.727 1.00 0.00 C ATOM 623 O SER A 42 -13.134 -1.773 9.910 1.00 0.00 O ATOM 624 CB SER A 42 -15.296 -3.476 8.538 1.00 0.00 C ATOM 625 OG SER A 42 -15.276 -3.696 9.940 1.00 0.00 O ATOM 0 H SER A 42 -15.295 -2.579 6.231 1.00 0.00 H new ATOM 0 HA SER A 42 -15.470 -1.336 8.762 1.00 0.00 H new ATOM 0 HB2 SER A 42 -16.302 -3.631 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.646 -4.193 8.037 1.00 0.00 H new ATOM 0 HG SER A 42 -14.634 -3.085 10.358 1.00 0.00 H new ATOM 631 N PHE A 43 -12.444 -1.821 7.823 1.00 0.00 N ATOM 632 CA PHE A 43 -11.011 -1.631 8.226 1.00 0.00 C ATOM 633 C PHE A 43 -10.699 -0.132 8.213 1.00 0.00 C ATOM 634 O PHE A 43 -10.248 0.431 9.191 1.00 0.00 O ATOM 635 CB PHE A 43 -10.105 -2.363 7.228 1.00 0.00 C ATOM 636 CG PHE A 43 -8.666 -2.316 7.712 1.00 0.00 C ATOM 637 CD1 PHE A 43 -8.285 -3.082 8.820 1.00 0.00 C ATOM 638 CD2 PHE A 43 -7.718 -1.511 7.063 1.00 0.00 C ATOM 639 CE1 PHE A 43 -6.960 -3.051 9.273 1.00 0.00 C ATOM 640 CE2 PHE A 43 -6.393 -1.481 7.516 1.00 0.00 C ATOM 641 CZ PHE A 43 -6.016 -2.249 8.623 1.00 0.00 C ATOM 0 H PHE A 43 -12.601 -1.901 6.818 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.838 -2.034 9.224 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.429 -3.398 7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.183 -1.900 6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.014 -3.698 9.326 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.010 -0.913 6.212 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.667 -3.647 10.125 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.663 -0.866 7.011 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.996 -2.223 8.976 1.00 0.00 H new ATOM 651 N ASP A 44 -10.933 0.506 7.095 1.00 0.00 N ATOM 652 CA ASP A 44 -10.654 1.973 6.979 1.00 0.00 C ATOM 653 C ASP A 44 -9.190 2.247 7.375 1.00 0.00 C ATOM 654 O ASP A 44 -8.909 2.554 8.517 1.00 0.00 O ATOM 655 CB ASP A 44 -11.591 2.751 7.919 1.00 0.00 C ATOM 656 CG ASP A 44 -11.434 4.255 7.673 1.00 0.00 C ATOM 657 OD1 ASP A 44 -10.395 4.647 7.172 1.00 0.00 O ATOM 658 OD2 ASP A 44 -12.359 4.986 7.987 1.00 0.00 O ATOM 0 H ASP A 44 -11.308 0.073 6.251 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.822 2.295 5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.625 2.451 7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.358 2.516 8.957 1.00 0.00 H new ATOM 663 N PRO A 45 -8.257 2.122 6.452 1.00 0.00 N ATOM 664 CA PRO A 45 -6.805 2.351 6.744 1.00 0.00 C ATOM 665 C PRO A 45 -6.540 3.733 7.364 1.00 0.00 C ATOM 666 O PRO A 45 -5.855 3.859 8.360 1.00 0.00 O ATOM 667 CB PRO A 45 -6.123 2.235 5.356 1.00 0.00 C ATOM 668 CG PRO A 45 -7.076 1.431 4.515 1.00 0.00 C ATOM 669 CD PRO A 45 -8.479 1.752 5.042 1.00 0.00 C ATOM 0 HA PRO A 45 -6.425 1.637 7.475 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.947 3.218 4.920 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.154 1.742 5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.985 1.695 3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.863 0.365 4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.938 2.568 4.483 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.144 0.893 4.955 1.00 0.00 H new ATOM 677 N ARG A 46 -7.071 4.764 6.769 1.00 0.00 N ATOM 678 CA ARG A 46 -6.841 6.144 7.294 1.00 0.00 C ATOM 679 C ARG A 46 -7.213 6.191 8.774 1.00 0.00 C ATOM 680 O ARG A 46 -6.425 6.586 9.611 1.00 0.00 O ATOM 681 CB ARG A 46 -7.714 7.109 6.469 1.00 0.00 C ATOM 682 CG ARG A 46 -7.165 7.146 5.033 1.00 0.00 C ATOM 683 CD ARG A 46 -8.139 7.845 4.062 1.00 0.00 C ATOM 684 NE ARG A 46 -8.339 9.296 4.383 1.00 0.00 N ATOM 685 CZ ARG A 46 -7.400 10.183 4.134 1.00 0.00 C ATOM 686 NH1 ARG A 46 -6.178 9.811 3.866 1.00 0.00 N ATOM 687 NH2 ARG A 46 -7.687 11.457 4.184 1.00 0.00 N ATOM 0 H ARG A 46 -7.658 4.712 5.937 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.794 6.433 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.752 6.778 6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.697 8.106 6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.207 7.667 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.978 6.129 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.760 7.752 3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.102 7.335 4.091 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.218 9.600 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.939 8.820 3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.462 10.512 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.634 11.758 4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.964 12.151 3.992 1.00 0.00 H new ATOM 701 N ASN A 47 -8.393 5.767 9.108 1.00 0.00 N ATOM 702 CA ASN A 47 -8.806 5.764 10.535 1.00 0.00 C ATOM 703 C ASN A 47 -7.956 4.750 11.311 1.00 0.00 C ATOM 704 O ASN A 47 -7.638 4.949 12.466 1.00 0.00 O ATOM 705 CB ASN A 47 -10.283 5.382 10.635 1.00 0.00 C ATOM 706 CG ASN A 47 -10.721 5.376 12.101 1.00 0.00 C ATOM 707 OD1 ASN A 47 -10.488 6.325 12.820 1.00 0.00 O ATOM 708 ND2 ASN A 47 -11.347 4.337 12.575 1.00 0.00 N ATOM 0 H ASN A 47 -9.094 5.420 8.453 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.660 6.757 10.960 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.889 6.088 10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.444 4.398 10.194 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.642 4.321 13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.543 3.540 11.970 1.00 0.00 H new ATOM 715 N TRP A 48 -7.602 3.652 10.689 1.00 0.00 N ATOM 716 CA TRP A 48 -6.790 2.610 11.392 1.00 0.00 C ATOM 717 C TRP A 48 -5.313 3.032 11.418 1.00 0.00 C ATOM 718 O TRP A 48 -4.463 2.306 11.892 1.00 0.00 O ATOM 719 CB TRP A 48 -6.948 1.267 10.643 1.00 0.00 C ATOM 720 CG TRP A 48 -6.589 0.117 11.540 1.00 0.00 C ATOM 721 CD1 TRP A 48 -7.457 -0.532 12.351 1.00 0.00 C ATOM 722 CD2 TRP A 48 -5.294 -0.532 11.726 1.00 0.00 C ATOM 723 NE1 TRP A 48 -6.782 -1.534 13.022 1.00 0.00 N ATOM 724 CE2 TRP A 48 -5.446 -1.575 12.673 1.00 0.00 C ATOM 725 CE3 TRP A 48 -4.018 -0.322 11.172 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.371 -2.374 13.059 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -2.934 -1.126 11.558 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.110 -2.150 12.499 1.00 0.00 C ATOM 0 H TRP A 48 -7.841 3.432 9.722 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.137 2.498 12.419 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.975 1.157 10.295 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.309 1.260 9.760 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.507 -0.304 12.457 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.217 -2.166 13.693 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.871 0.463 10.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.511 -3.161 13.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.958 -0.955 11.127 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.272 -2.765 12.791 1.00 0.00 H new ATOM 739 N GLY A 49 -5.001 4.202 10.918 1.00 0.00 N ATOM 740 CA GLY A 49 -3.580 4.672 10.918 1.00 0.00 C ATOM 741 C GLY A 49 -3.393 5.703 9.803 1.00 0.00 C ATOM 742 O GLY A 49 -3.715 5.454 8.658 1.00 0.00 O ATOM 0 H GLY A 49 -5.670 4.854 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.330 5.113 11.883 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.905 3.829 10.768 1.00 0.00 H new ATOM 746 N HIS A 50 -2.873 6.860 10.122 1.00 0.00 N ATOM 747 CA HIS A 50 -2.670 7.893 9.067 1.00 0.00 C ATOM 748 C HIS A 50 -1.619 7.394 8.075 1.00 0.00 C ATOM 749 O HIS A 50 -1.787 7.484 6.875 1.00 0.00 O ATOM 750 CB HIS A 50 -2.189 9.193 9.711 1.00 0.00 C ATOM 751 CG HIS A 50 -3.275 9.743 10.596 1.00 0.00 C ATOM 752 ND1 HIS A 50 -4.473 10.217 10.085 1.00 0.00 N ATOM 753 CD2 HIS A 50 -3.362 9.890 11.958 1.00 0.00 C ATOM 754 CE1 HIS A 50 -5.225 10.621 11.125 1.00 0.00 C ATOM 755 NE2 HIS A 50 -4.595 10.445 12.290 1.00 0.00 N ATOM 0 H HIS A 50 -2.582 7.132 11.061 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.610 8.076 8.546 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.286 9.011 10.294 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.929 9.919 8.941 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.592 9.617 12.664 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.217 11.037 11.030 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.943 10.669 13.222 1.00 0.00 H new ATOM 763 N GLY A 51 -0.534 6.855 8.573 1.00 0.00 N ATOM 764 CA GLY A 51 0.548 6.329 7.677 1.00 0.00 C ATOM 765 C GLY A 51 1.227 5.130 8.348 1.00 0.00 C ATOM 766 O GLY A 51 2.163 4.561 7.820 1.00 0.00 O ATOM 0 H GLY A 51 -0.348 6.755 9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.127 6.032 6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.281 7.110 7.476 1.00 0.00 H new ATOM 770 N ARG A 52 0.768 4.741 9.508 1.00 0.00 N ATOM 771 CA ARG A 52 1.398 3.588 10.207 1.00 0.00 C ATOM 772 C ARG A 52 1.158 2.312 9.395 1.00 0.00 C ATOM 773 O ARG A 52 1.668 1.257 9.719 1.00 0.00 O ATOM 774 CB ARG A 52 0.806 3.456 11.623 1.00 0.00 C ATOM 775 CG ARG A 52 0.870 4.809 12.376 1.00 0.00 C ATOM 776 CD ARG A 52 2.306 5.366 12.367 1.00 0.00 C ATOM 777 NE ARG A 52 2.459 6.504 13.330 1.00 0.00 N ATOM 778 CZ ARG A 52 2.060 7.708 13.004 1.00 0.00 C ATOM 779 NH1 ARG A 52 1.274 7.884 11.978 1.00 0.00 N ATOM 780 NH2 ARG A 52 2.419 8.731 13.729 1.00 0.00 N ATOM 0 H ARG A 52 -0.015 5.172 9.999 1.00 0.00 H new ATOM 0 HA ARG A 52 2.472 3.749 10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.229 3.119 11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.354 2.698 12.182 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.194 5.524 11.908 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.532 4.676 13.404 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.007 4.572 12.626 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.561 5.702 11.362 1.00 0.00 H new ATOM 0 HE ARG A 52 2.877 6.340 14.246 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.968 7.082 11.427 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.965 8.823 11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.010 8.593 14.549 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.109 9.669 13.476 1.00 0.00 H new ATOM 794 N LEU A 53 0.426 2.405 8.318 1.00 0.00 N ATOM 795 CA LEU A 53 0.203 1.204 7.460 1.00 0.00 C ATOM 796 C LEU A 53 1.542 0.794 6.831 1.00 0.00 C ATOM 797 O LEU A 53 1.862 -0.373 6.734 1.00 0.00 O ATOM 798 CB LEU A 53 -0.811 1.542 6.353 1.00 0.00 C ATOM 799 CG LEU A 53 -1.026 0.346 5.396 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.529 -0.897 6.164 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.055 0.751 4.329 1.00 0.00 C ATOM 0 H LEU A 53 -0.027 3.260 7.995 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.190 0.384 8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.763 1.824 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.459 2.404 5.786 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.076 0.088 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.672 -1.723 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.794 -1.181 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.476 -0.665 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.218 -0.082 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.996 1.013 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.682 1.610 3.771 1.00 0.00 H new ATOM 813 N SER A 54 2.315 1.753 6.388 1.00 0.00 N ATOM 814 CA SER A 54 3.626 1.428 5.749 1.00 0.00 C ATOM 815 C SER A 54 4.509 0.675 6.742 1.00 0.00 C ATOM 816 O SER A 54 5.144 -0.305 6.409 1.00 0.00 O ATOM 817 CB SER A 54 4.327 2.723 5.335 1.00 0.00 C ATOM 818 OG SER A 54 5.554 2.406 4.690 1.00 0.00 O ATOM 0 H SER A 54 2.095 2.747 6.441 1.00 0.00 H new ATOM 0 HA SER A 54 3.453 0.806 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.688 3.298 4.665 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.513 3.346 6.210 1.00 0.00 H new ATOM 0 HG SER A 54 6.006 3.233 4.422 1.00 0.00 H new ATOM 824 N GLN A 55 4.556 1.124 7.964 1.00 0.00 N ATOM 825 CA GLN A 55 5.397 0.436 8.981 1.00 0.00 C ATOM 826 C GLN A 55 4.797 -0.944 9.283 1.00 0.00 C ATOM 827 O GLN A 55 5.500 -1.876 9.613 1.00 0.00 O ATOM 828 CB GLN A 55 5.427 1.272 10.264 1.00 0.00 C ATOM 829 CG GLN A 55 6.008 2.661 9.968 1.00 0.00 C ATOM 830 CD GLN A 55 7.481 2.539 9.566 1.00 0.00 C ATOM 831 OE1 GLN A 55 8.282 2.005 10.304 1.00 0.00 O ATOM 832 NE2 GLN A 55 7.874 3.017 8.416 1.00 0.00 N ATOM 0 H GLN A 55 4.047 1.940 8.303 1.00 0.00 H new ATOM 0 HA GLN A 55 6.412 0.318 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.420 1.368 10.669 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.029 0.770 11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.442 3.138 9.167 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.914 3.298 10.847 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.202 3.466 7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.853 2.941 8.140 1.00 0.00 H new ATOM 841 N MET A 56 3.503 -1.078 9.177 1.00 0.00 N ATOM 842 CA MET A 56 2.864 -2.396 9.467 1.00 0.00 C ATOM 843 C MET A 56 3.359 -3.447 8.463 1.00 0.00 C ATOM 844 O MET A 56 3.723 -4.546 8.831 1.00 0.00 O ATOM 845 CB MET A 56 1.339 -2.252 9.352 1.00 0.00 C ATOM 846 CG MET A 56 0.642 -3.522 9.860 1.00 0.00 C ATOM 847 SD MET A 56 0.809 -3.624 11.660 1.00 0.00 S ATOM 848 CE MET A 56 -0.462 -4.881 11.947 1.00 0.00 C ATOM 0 H MET A 56 2.861 -0.334 8.903 1.00 0.00 H new ATOM 0 HA MET A 56 3.129 -2.715 10.475 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.004 -1.390 9.929 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.062 -2.068 8.314 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.412 -3.507 9.582 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.082 -4.403 9.393 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.526 -5.097 13.013 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.425 -4.512 11.593 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.202 -5.792 11.407 1.00 0.00 H new ATOM 858 N VAL A 57 3.367 -3.121 7.199 1.00 0.00 N ATOM 859 CA VAL A 57 3.831 -4.105 6.171 1.00 0.00 C ATOM 860 C VAL A 57 5.347 -4.280 6.269 1.00 0.00 C ATOM 861 O VAL A 57 5.901 -5.263 5.819 1.00 0.00 O ATOM 862 CB VAL A 57 3.458 -3.606 4.768 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.937 -3.655 4.590 1.00 0.00 C ATOM 864 CG2 VAL A 57 3.936 -2.164 4.591 1.00 0.00 C ATOM 0 H VAL A 57 3.073 -2.216 6.831 1.00 0.00 H new ATOM 0 HA VAL A 57 3.346 -5.065 6.351 1.00 0.00 H new ATOM 0 HB VAL A 57 3.935 -4.245 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.676 -3.300 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.589 -4.681 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.463 -3.019 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.670 -1.812 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.461 -1.529 5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.018 -2.122 4.714 1.00 0.00 H new ATOM 874 N LYS A 58 6.025 -3.330 6.847 1.00 0.00 N ATOM 875 CA LYS A 58 7.506 -3.431 6.965 1.00 0.00 C ATOM 876 C LYS A 58 7.872 -4.688 7.755 1.00 0.00 C ATOM 877 O LYS A 58 8.898 -5.297 7.527 1.00 0.00 O ATOM 878 CB LYS A 58 8.032 -2.190 7.692 1.00 0.00 C ATOM 879 CG LYS A 58 9.565 -2.180 7.673 1.00 0.00 C ATOM 880 CD LYS A 58 10.089 -0.846 8.232 1.00 0.00 C ATOM 881 CE LYS A 58 9.637 -0.650 9.694 1.00 0.00 C ATOM 882 NZ LYS A 58 9.753 -1.936 10.441 1.00 0.00 N ATOM 0 H LYS A 58 5.616 -2.484 7.245 1.00 0.00 H new ATOM 0 HA LYS A 58 7.954 -3.492 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.649 -1.289 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.673 -2.182 8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.950 -3.009 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.925 -2.324 6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.177 -0.826 8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.724 -0.021 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.249 0.115 10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.606 -0.296 9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.900 -1.738 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.880 -2.488 10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.560 -2.479 10.074 1.00 0.00 H new ATOM 896 N LYS A 59 7.047 -5.082 8.687 1.00 0.00 N ATOM 897 CA LYS A 59 7.357 -6.298 9.492 1.00 0.00 C ATOM 898 C LYS A 59 7.143 -7.552 8.635 1.00 0.00 C ATOM 899 O LYS A 59 7.399 -8.657 9.069 1.00 0.00 O ATOM 900 CB LYS A 59 6.425 -6.352 10.703 1.00 0.00 C ATOM 901 CG LYS A 59 6.701 -5.154 11.614 1.00 0.00 C ATOM 902 CD LYS A 59 5.739 -5.182 12.802 1.00 0.00 C ATOM 903 CE LYS A 59 5.956 -3.935 13.662 1.00 0.00 C ATOM 904 NZ LYS A 59 7.361 -3.908 14.150 1.00 0.00 N ATOM 0 H LYS A 59 6.172 -4.615 8.926 1.00 0.00 H new ATOM 0 HA LYS A 59 8.394 -6.258 9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.385 -6.341 10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.577 -7.282 11.251 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.732 -5.182 11.967 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.580 -4.225 11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.709 -5.219 12.449 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.904 -6.080 13.397 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.744 -3.038 13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.266 -3.938 14.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.435 -3.258 14.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.644 -4.864 14.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.988 -3.584 13.386 1.00 0.00 H new ATOM 918 N LEU A 60 6.681 -7.386 7.416 1.00 0.00 N ATOM 919 CA LEU A 60 6.451 -8.560 6.505 1.00 0.00 C ATOM 920 C LEU A 60 7.630 -8.669 5.529 1.00 0.00 C ATOM 921 O LEU A 60 7.811 -7.837 4.662 1.00 0.00 O ATOM 922 CB LEU A 60 5.150 -8.345 5.723 1.00 0.00 C ATOM 923 CG LEU A 60 3.997 -8.022 6.687 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.713 -7.791 5.877 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.781 -9.184 7.684 1.00 0.00 C ATOM 0 H LEU A 60 6.451 -6.480 7.008 1.00 0.00 H new ATOM 0 HA LEU A 60 6.373 -9.477 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.276 -7.530 5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.912 -9.239 5.147 1.00 0.00 H new ATOM 0 HG LEU A 60 4.247 -7.124 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.891 -7.561 6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.861 -6.957 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.474 -8.690 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.961 -8.937 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.538 -10.094 7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.691 -9.341 8.262 1.00 0.00 H new ATOM 937 N ASP A 61 8.442 -9.678 5.679 1.00 0.00 N ATOM 938 CA ASP A 61 9.623 -9.842 4.782 1.00 0.00 C ATOM 939 C ASP A 61 9.196 -10.128 3.335 1.00 0.00 C ATOM 940 O ASP A 61 9.831 -9.683 2.398 1.00 0.00 O ATOM 941 CB ASP A 61 10.484 -10.999 5.292 1.00 0.00 C ATOM 942 CG ASP A 61 11.773 -11.094 4.468 1.00 0.00 C ATOM 943 OD1 ASP A 61 11.887 -10.374 3.488 1.00 0.00 O ATOM 944 OD2 ASP A 61 12.626 -11.887 4.833 1.00 0.00 O ATOM 0 H ASP A 61 8.338 -10.402 6.390 1.00 0.00 H new ATOM 0 HA ASP A 61 10.190 -8.911 4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.725 -10.848 6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.929 -11.934 5.224 1.00 0.00 H new ATOM 949 N PHE A 62 8.150 -10.889 3.133 1.00 0.00 N ATOM 950 CA PHE A 62 7.724 -11.220 1.735 1.00 0.00 C ATOM 951 C PHE A 62 7.115 -9.992 1.040 1.00 0.00 C ATOM 952 O PHE A 62 6.417 -10.117 0.054 1.00 0.00 O ATOM 953 CB PHE A 62 6.705 -12.362 1.769 1.00 0.00 C ATOM 954 CG PHE A 62 5.547 -11.993 2.673 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.643 -12.219 4.052 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.382 -11.428 2.137 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.575 -11.884 4.892 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.314 -11.096 2.978 1.00 0.00 C ATOM 959 CZ PHE A 62 3.411 -11.323 4.356 1.00 0.00 C ATOM 0 H PHE A 62 7.574 -11.295 3.870 1.00 0.00 H new ATOM 0 HA PHE A 62 8.602 -11.529 1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.341 -12.566 0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.181 -13.275 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.541 -12.652 4.467 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.308 -11.249 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.650 -12.059 5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.415 -10.665 2.564 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.587 -11.065 5.005 1.00 0.00 H new ATOM 969 N LEU A 63 7.398 -8.804 1.529 1.00 0.00 N ATOM 970 CA LEU A 63 6.863 -7.550 0.889 1.00 0.00 C ATOM 971 C LEU A 63 7.965 -6.483 0.886 1.00 0.00 C ATOM 972 O LEU A 63 8.557 -6.182 1.902 1.00 0.00 O ATOM 973 CB LEU A 63 5.634 -7.045 1.682 1.00 0.00 C ATOM 974 CG LEU A 63 4.355 -7.851 1.298 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.341 -7.807 2.450 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.688 -7.242 0.049 1.00 0.00 C ATOM 0 H LEU A 63 7.981 -8.646 2.351 1.00 0.00 H new ATOM 0 HA LEU A 63 6.557 -7.758 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.822 -7.141 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.476 -5.986 1.480 1.00 0.00 H new ATOM 0 HG LEU A 63 4.654 -8.879 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.451 -8.372 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.786 -8.245 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.065 -6.772 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.797 -7.817 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.407 -6.209 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.387 -7.269 -0.787 1.00 0.00 H new ATOM 988 N THR A 64 8.236 -5.905 -0.257 1.00 0.00 N ATOM 989 CA THR A 64 9.291 -4.844 -0.348 1.00 0.00 C ATOM 990 C THR A 64 8.646 -3.477 -0.105 1.00 0.00 C ATOM 991 O THR A 64 7.611 -3.167 -0.666 1.00 0.00 O ATOM 992 CB THR A 64 9.911 -4.877 -1.748 1.00 0.00 C ATOM 993 OG1 THR A 64 10.463 -6.163 -1.990 1.00 0.00 O ATOM 994 CG2 THR A 64 11.011 -3.819 -1.855 1.00 0.00 C ATOM 0 H THR A 64 7.770 -6.122 -1.138 1.00 0.00 H new ATOM 0 HA THR A 64 10.065 -5.020 0.399 1.00 0.00 H new ATOM 0 HB THR A 64 9.139 -4.666 -2.488 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.859 -6.186 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.448 -3.848 -2.853 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.585 -2.832 -1.674 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.785 -4.022 -1.114 1.00 0.00 H new ATOM 1002 N VAL A 65 9.252 -2.658 0.732 1.00 0.00 N ATOM 1003 CA VAL A 65 8.694 -1.292 1.039 1.00 0.00 C ATOM 1004 C VAL A 65 9.728 -0.221 0.663 1.00 0.00 C ATOM 1005 O VAL A 65 10.881 -0.301 1.037 1.00 0.00 O ATOM 1006 CB VAL A 65 8.401 -1.201 2.542 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.803 0.172 2.875 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.412 -2.302 2.934 1.00 0.00 C ATOM 0 H VAL A 65 10.119 -2.880 1.221 1.00 0.00 H new ATOM 0 HA VAL A 65 7.779 -1.132 0.469 1.00 0.00 H new ATOM 0 HB VAL A 65 9.329 -1.329 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.597 0.230 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.511 0.954 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.875 0.309 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.202 -2.239 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.485 -2.175 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.843 -3.277 2.706 1.00 0.00 H new ATOM 1018 N GLN A 66 9.313 0.788 -0.069 1.00 0.00 N ATOM 1019 CA GLN A 66 10.252 1.890 -0.474 1.00 0.00 C ATOM 1020 C GLN A 66 9.487 3.219 -0.492 1.00 0.00 C ATOM 1021 O GLN A 66 8.289 3.250 -0.688 1.00 0.00 O ATOM 1022 CB GLN A 66 10.811 1.610 -1.872 1.00 0.00 C ATOM 1023 CG GLN A 66 11.729 0.388 -1.829 1.00 0.00 C ATOM 1024 CD GLN A 66 12.382 0.190 -3.200 1.00 0.00 C ATOM 1025 OE1 GLN A 66 13.318 -0.572 -3.335 1.00 0.00 O ATOM 1026 NE2 GLN A 66 11.929 0.853 -4.230 1.00 0.00 N ATOM 0 H GLN A 66 8.357 0.897 -0.407 1.00 0.00 H new ATOM 0 HA GLN A 66 11.076 1.943 0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.994 1.438 -2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.363 2.478 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.495 0.522 -1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.158 -0.499 -1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.143 1.493 -4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.361 0.730 -5.146 1.00 0.00 H new ATOM 1035 N GLU A 67 10.177 4.320 -0.287 1.00 0.00 N ATOM 1036 CA GLU A 67 9.514 5.672 -0.282 1.00 0.00 C ATOM 1037 C GLU A 67 9.807 6.411 -1.590 1.00 0.00 C ATOM 1038 O GLU A 67 10.884 6.310 -2.143 1.00 0.00 O ATOM 1039 CB GLU A 67 10.066 6.498 0.887 1.00 0.00 C ATOM 1040 CG GLU A 67 9.570 5.911 2.208 1.00 0.00 C ATOM 1041 CD GLU A 67 10.183 6.680 3.382 1.00 0.00 C ATOM 1042 OE1 GLU A 67 10.939 7.609 3.136 1.00 0.00 O ATOM 1043 OE2 GLU A 67 9.886 6.326 4.508 1.00 0.00 O ATOM 0 H GLU A 67 11.183 4.341 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 67 8.437 5.538 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.156 6.497 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.746 7.536 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.482 5.965 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.840 4.857 2.272 1.00 0.00 H new ATOM 1050 N SER A 68 8.848 7.170 -2.068 1.00 0.00 N ATOM 1051 CA SER A 68 9.027 7.955 -3.330 1.00 0.00 C ATOM 1052 C SER A 68 8.580 9.404 -3.093 1.00 0.00 C ATOM 1053 O SER A 68 7.525 9.665 -2.547 1.00 0.00 O ATOM 1054 CB SER A 68 8.178 7.330 -4.437 1.00 0.00 C ATOM 1055 OG SER A 68 8.368 8.060 -5.643 1.00 0.00 O ATOM 0 H SER A 68 7.934 7.279 -1.628 1.00 0.00 H new ATOM 0 HA SER A 68 10.076 7.943 -3.627 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.459 6.287 -4.582 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.125 7.340 -4.154 1.00 0.00 H new ATOM 0 HG SER A 68 7.826 7.661 -6.356 1.00 0.00 H new ATOM 1061 N ARG A 69 9.389 10.341 -3.499 1.00 0.00 N ATOM 1062 CA ARG A 69 9.056 11.784 -3.313 1.00 0.00 C ATOM 1063 C ARG A 69 7.890 12.151 -4.257 1.00 0.00 C ATOM 1064 O ARG A 69 7.911 11.831 -5.427 1.00 0.00 O ATOM 1065 CB ARG A 69 10.328 12.586 -3.648 1.00 0.00 C ATOM 1066 CG ARG A 69 10.079 14.101 -3.574 1.00 0.00 C ATOM 1067 CD ARG A 69 11.420 14.846 -3.823 1.00 0.00 C ATOM 1068 NE ARG A 69 11.320 16.356 -4.035 1.00 0.00 N ATOM 1069 CZ ARG A 69 10.229 16.997 -4.437 1.00 0.00 C ATOM 1070 NH1 ARG A 69 9.020 16.577 -4.218 1.00 0.00 N ATOM 1071 NH2 ARG A 69 10.365 18.203 -4.920 1.00 0.00 N ATOM 0 H ARG A 69 10.282 10.167 -3.960 1.00 0.00 H new ATOM 0 HA ARG A 69 8.742 12.007 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.124 12.313 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.672 12.322 -4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.339 14.398 -4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.675 14.369 -2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.078 14.661 -2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.899 14.407 -4.698 1.00 0.00 H new ATOM 0 HE ARG A 69 12.155 16.914 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.867 15.706 -3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.223 17.118 -4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.291 18.627 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.545 18.721 -5.237 1.00 0.00 H new ATOM 1085 N ASN A 70 6.867 12.812 -3.756 1.00 0.00 N ATOM 1086 CA ASN A 70 5.691 13.187 -4.624 1.00 0.00 C ATOM 1087 C ASN A 70 5.087 14.501 -4.120 1.00 0.00 C ATOM 1088 O ASN A 70 4.408 14.540 -3.113 1.00 0.00 O ATOM 1089 CB ASN A 70 4.628 12.080 -4.557 1.00 0.00 C ATOM 1090 CG ASN A 70 3.461 12.404 -5.504 1.00 0.00 C ATOM 1091 OD1 ASN A 70 3.086 13.547 -5.658 1.00 0.00 O ATOM 1092 ND2 ASN A 70 2.868 11.430 -6.147 1.00 0.00 N ATOM 0 H ASN A 70 6.793 13.109 -2.783 1.00 0.00 H new ATOM 0 HA ASN A 70 6.025 13.308 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.072 11.123 -4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.260 11.981 -3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.092 11.633 -6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.182 10.468 -6.018 1.00 0.00 H new ATOM 1099 N GLY A 71 5.332 15.576 -4.814 1.00 0.00 N ATOM 1100 CA GLY A 71 4.780 16.887 -4.375 1.00 0.00 C ATOM 1101 C GLY A 71 5.373 17.255 -3.015 1.00 0.00 C ATOM 1102 O GLY A 71 6.542 17.038 -2.757 1.00 0.00 O ATOM 0 H GLY A 71 5.891 15.604 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.016 17.658 -5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.693 16.833 -4.308 1.00 0.00 H new ATOM 1106 N SER A 72 4.579 17.818 -2.145 1.00 0.00 N ATOM 1107 CA SER A 72 5.087 18.219 -0.794 1.00 0.00 C ATOM 1108 C SER A 72 5.028 17.034 0.177 1.00 0.00 C ATOM 1109 O SER A 72 5.443 17.144 1.315 1.00 0.00 O ATOM 1110 CB SER A 72 4.213 19.348 -0.256 1.00 0.00 C ATOM 1111 OG SER A 72 4.746 19.807 0.978 1.00 0.00 O ATOM 0 H SER A 72 3.593 18.020 -2.310 1.00 0.00 H new ATOM 0 HA SER A 72 6.123 18.547 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.173 20.166 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.191 18.997 -0.116 1.00 0.00 H new ATOM 0 HG SER A 72 5.209 19.070 1.428 1.00 0.00 H new ATOM 1117 N LYS A 73 4.504 15.907 -0.252 1.00 0.00 N ATOM 1118 CA LYS A 73 4.398 14.706 0.649 1.00 0.00 C ATOM 1119 C LYS A 73 4.870 13.461 -0.099 1.00 0.00 C ATOM 1120 O LYS A 73 4.328 13.091 -1.121 1.00 0.00 O ATOM 1121 CB LYS A 73 2.935 14.524 1.066 1.00 0.00 C ATOM 1122 CG LYS A 73 2.814 13.360 2.058 1.00 0.00 C ATOM 1123 CD LYS A 73 1.389 13.300 2.631 1.00 0.00 C ATOM 1124 CE LYS A 73 0.375 12.911 1.542 1.00 0.00 C ATOM 1125 NZ LYS A 73 -0.899 12.485 2.190 1.00 0.00 N ATOM 0 H LYS A 73 4.142 15.765 -1.195 1.00 0.00 H new ATOM 0 HA LYS A 73 5.020 14.853 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.561 15.441 1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.319 14.330 0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.054 12.421 1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.534 13.485 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.350 12.576 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.121 14.269 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.194 13.756 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.773 12.103 0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.589 12.221 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.718 11.668 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.279 13.269 2.757 1.00 0.00 H new ATOM 1139 N LEU A 74 5.881 12.811 0.412 1.00 0.00 N ATOM 1140 CA LEU A 74 6.390 11.588 -0.267 1.00 0.00 C ATOM 1141 C LEU A 74 5.306 10.517 -0.229 1.00 0.00 C ATOM 1142 O LEU A 74 4.623 10.351 0.762 1.00 0.00 O ATOM 1143 CB LEU A 74 7.661 11.076 0.443 1.00 0.00 C ATOM 1144 CG LEU A 74 7.391 10.776 1.963 1.00 0.00 C ATOM 1145 CD1 LEU A 74 7.150 9.270 2.201 1.00 0.00 C ATOM 1146 CD2 LEU A 74 8.602 11.202 2.812 1.00 0.00 C ATOM 0 H LEU A 74 6.373 13.073 1.266 1.00 0.00 H new ATOM 0 HA LEU A 74 6.642 11.822 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.015 10.171 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.454 11.819 0.353 1.00 0.00 H new ATOM 0 HG LEU A 74 6.503 11.338 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.966 9.094 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.285 8.944 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.029 8.707 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.403 10.989 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.484 10.649 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.778 12.270 2.685 1.00 0.00 H new ATOM 1158 N HIS A 75 5.152 9.786 -1.305 1.00 0.00 N ATOM 1159 CA HIS A 75 4.119 8.703 -1.363 1.00 0.00 C ATOM 1160 C HIS A 75 4.808 7.355 -1.180 1.00 0.00 C ATOM 1161 O HIS A 75 5.715 7.001 -1.907 1.00 0.00 O ATOM 1162 CB HIS A 75 3.428 8.738 -2.730 1.00 0.00 C ATOM 1163 CG HIS A 75 2.628 10.006 -2.850 1.00 0.00 C ATOM 1164 ND1 HIS A 75 2.662 10.993 -1.879 1.00 0.00 N ATOM 1165 CD2 HIS A 75 1.765 10.460 -3.816 1.00 0.00 C ATOM 1166 CE1 HIS A 75 1.842 11.982 -2.277 1.00 0.00 C ATOM 1167 NE2 HIS A 75 1.268 11.708 -3.452 1.00 0.00 N ATOM 0 H HIS A 75 5.704 9.894 -2.156 1.00 0.00 H new ATOM 0 HA HIS A 75 3.379 8.851 -0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.170 8.686 -3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.777 7.871 -2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.510 9.929 -4.721 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.669 12.888 -1.715 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.608 12.288 -3.970 1.00 0.00 H new ATOM 1175 N SER A 76 4.375 6.597 -0.215 1.00 0.00 N ATOM 1176 CA SER A 76 4.989 5.267 0.024 1.00 0.00 C ATOM 1177 C SER A 76 4.578 4.318 -1.103 1.00 0.00 C ATOM 1178 O SER A 76 3.569 4.511 -1.750 1.00 0.00 O ATOM 1179 CB SER A 76 4.489 4.724 1.365 1.00 0.00 C ATOM 1180 OG SER A 76 3.078 4.861 1.418 1.00 0.00 O ATOM 0 H SER A 76 3.617 6.844 0.422 1.00 0.00 H new ATOM 0 HA SER A 76 6.075 5.352 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.771 3.677 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.952 5.268 2.188 1.00 0.00 H new ATOM 0 HG SER A 76 2.841 5.551 2.073 1.00 0.00 H new ATOM 1186 N GLU A 77 5.352 3.290 -1.336 1.00 0.00 N ATOM 1187 CA GLU A 77 5.024 2.302 -2.415 1.00 0.00 C ATOM 1188 C GLU A 77 5.401 0.906 -1.925 1.00 0.00 C ATOM 1189 O GLU A 77 6.322 0.744 -1.152 1.00 0.00 O ATOM 1190 CB GLU A 77 5.828 2.622 -3.679 1.00 0.00 C ATOM 1191 CG GLU A 77 5.352 3.943 -4.288 1.00 0.00 C ATOM 1192 CD GLU A 77 6.188 4.265 -5.535 1.00 0.00 C ATOM 1193 OE1 GLU A 77 7.044 3.464 -5.883 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.954 5.309 -6.121 1.00 0.00 O ATOM 0 H GLU A 77 6.208 3.088 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 77 3.960 2.352 -2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.889 2.686 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.714 1.817 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.297 3.874 -4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.445 4.747 -3.558 1.00 0.00 H new ATOM 1201 N ILE A 78 4.694 -0.103 -2.369 1.00 0.00 N ATOM 1202 CA ILE A 78 4.999 -1.504 -1.939 1.00 0.00 C ATOM 1203 C ILE A 78 4.802 -2.458 -3.116 1.00 0.00 C ATOM 1204 O ILE A 78 4.022 -2.201 -4.013 1.00 0.00 O ATOM 1205 CB ILE A 78 4.062 -1.895 -0.785 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.590 -1.773 -1.224 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.313 -0.967 0.407 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.676 -2.261 -0.096 1.00 0.00 C ATOM 0 H ILE A 78 3.911 -0.016 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 78 6.034 -1.567 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 78 4.262 -2.928 -0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.358 -0.737 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.419 -2.362 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.650 -1.241 1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.350 -1.062 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.118 0.064 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.635 -2.174 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.901 -3.303 0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.840 -1.653 0.794 1.00 0.00 H new ATOM 1220 N ARG A 79 5.485 -3.571 -3.109 1.00 0.00 N ATOM 1221 CA ARG A 79 5.323 -4.568 -4.213 1.00 0.00 C ATOM 1222 C ARG A 79 5.636 -5.962 -3.668 1.00 0.00 C ATOM 1223 O ARG A 79 6.396 -6.116 -2.732 1.00 0.00 O ATOM 1224 CB ARG A 79 6.262 -4.223 -5.382 1.00 0.00 C ATOM 1225 CG ARG A 79 7.725 -4.288 -4.930 1.00 0.00 C ATOM 1226 CD ARG A 79 8.652 -3.918 -6.090 1.00 0.00 C ATOM 1227 NE ARG A 79 8.370 -4.786 -7.273 1.00 0.00 N ATOM 1228 CZ ARG A 79 9.208 -4.811 -8.282 1.00 0.00 C ATOM 1229 NH1 ARG A 79 10.310 -4.112 -8.234 1.00 0.00 N ATOM 1230 NH2 ARG A 79 8.949 -5.540 -9.335 1.00 0.00 N ATOM 0 H ARG A 79 6.152 -3.836 -2.384 1.00 0.00 H new ATOM 0 HA ARG A 79 4.298 -4.545 -4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.098 -4.918 -6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.035 -3.225 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.886 -3.607 -4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.959 -5.291 -4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.512 -2.870 -6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.692 -4.033 -5.785 1.00 0.00 H new ATOM 0 HE ARG A 79 7.526 -5.359 -7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.520 -3.546 -7.412 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.961 -4.132 -9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.093 -6.092 -9.375 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.603 -5.557 -10.117 1.00 0.00 H new ATOM 1244 N LEU A 80 5.061 -6.976 -4.246 1.00 0.00 N ATOM 1245 CA LEU A 80 5.330 -8.360 -3.761 1.00 0.00 C ATOM 1246 C LEU A 80 6.781 -8.727 -4.120 1.00 0.00 C ATOM 1247 O LEU A 80 7.242 -8.477 -5.219 1.00 0.00 O ATOM 1248 CB LEU A 80 4.316 -9.325 -4.437 1.00 0.00 C ATOM 1249 CG LEU A 80 3.884 -10.482 -3.498 1.00 0.00 C ATOM 1250 CD1 LEU A 80 5.108 -11.287 -3.048 1.00 0.00 C ATOM 1251 CD2 LEU A 80 3.108 -9.947 -2.262 1.00 0.00 C ATOM 0 H LEU A 80 4.416 -6.909 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 80 5.210 -8.435 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.435 -8.763 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.762 -9.741 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 80 3.215 -11.136 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.790 -12.095 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.609 -11.706 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.797 -10.633 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.819 -10.782 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.745 -9.264 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.214 -9.419 -2.594 1.00 0.00 H new ATOM 1263 N ARG A 81 7.502 -9.307 -3.200 1.00 0.00 N ATOM 1264 CA ARG A 81 8.919 -9.686 -3.472 1.00 0.00 C ATOM 1265 C ARG A 81 8.979 -10.657 -4.654 1.00 0.00 C ATOM 1266 O ARG A 81 9.783 -10.508 -5.553 1.00 0.00 O ATOM 1267 CB ARG A 81 9.481 -10.365 -2.221 1.00 0.00 C ATOM 1268 CG ARG A 81 10.958 -10.728 -2.422 1.00 0.00 C ATOM 1269 CD ARG A 81 11.511 -11.373 -1.146 1.00 0.00 C ATOM 1270 NE ARG A 81 10.601 -12.469 -0.698 1.00 0.00 N ATOM 1271 CZ ARG A 81 10.952 -13.266 0.276 1.00 0.00 C ATOM 1272 NH1 ARG A 81 12.092 -13.093 0.889 1.00 0.00 N ATOM 1273 NH2 ARG A 81 10.157 -14.236 0.641 1.00 0.00 N ATOM 0 H ARG A 81 7.168 -9.537 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 81 9.504 -8.799 -3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.377 -9.701 -1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.907 -11.264 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.062 -11.414 -3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.532 -9.834 -2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.509 -11.770 -1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.607 -10.623 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 81 9.698 -12.596 -1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.712 -12.333 0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.362 -13.717 1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.264 -14.370 0.166 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.429 -14.860 1.401 1.00 0.00 H new