USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 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 :FLIP amide:sc= -7.16! C(o=-11!,f=-9.9!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -2.75 K(o=-9.9,f=-12!) USER MOD Set 2.1: A 54 SER OG : rot 114:sc= -0.463 USER MOD Set 2.2: A 55 GLN : amide:sc= -4.15! C(o=-4.6!,f=-5.2!) USER MOD Set 3.1: A 35 TYR OH : rot 150:sc= 0.432 USER MOD Set 3.2: A 39 ASN :FLIP amide:sc= -1.69! C(o=-3.3!,f=-1.3!) USER MOD Set 4.1: A 7 HIS : no HD1:sc= -2.45! C(o=-3!,f=-13!) USER MOD Set 4.2: A 12 MET CE :methyl 149:sc= -0.572 (180deg=-0.0941) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 14 THR OG1 : rot 81:sc= 0.165 USER MOD Single : A 15 SER OG : rot 64:sc= 1.21 USER MOD Single : A 24 SER OG : rot -42:sc= 0.277 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 81:sc= 0.323 USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.133 (180deg=-0.823) USER MOD Single : A 42 SER OG : rot 1:sc= 0.856 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 50 HIS : no HD1:sc= -0.605 K(o=-0.6,f=-1.8) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= -0.026 (180deg=-0.354) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.0554 (180deg=-0.467) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -7.29! C(o=-7.3!,f=-7.1!) USER MOD Single : A 68 SER OG : rot -148:sc= -2.72! USER MOD Single : A 72 SER OG : rot -26:sc= 0.453 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -9.304 -14.570 4.064 1.00 0.00 N ATOM 111 CA HIS A 7 -8.659 -13.241 3.821 1.00 0.00 C ATOM 112 C HIS A 7 -7.163 -13.340 4.153 1.00 0.00 C ATOM 113 O HIS A 7 -6.703 -12.783 5.130 1.00 0.00 O ATOM 114 CB HIS A 7 -9.318 -12.195 4.728 1.00 0.00 C ATOM 115 CG HIS A 7 -8.806 -10.826 4.383 1.00 0.00 C ATOM 116 ND1 HIS A 7 -9.350 -10.071 3.355 1.00 0.00 N ATOM 117 CD2 HIS A 7 -7.807 -10.059 4.924 1.00 0.00 C ATOM 118 CE1 HIS A 7 -8.680 -8.905 3.312 1.00 0.00 C ATOM 119 NE2 HIS A 7 -7.729 -8.847 4.248 1.00 0.00 N ATOM 0 HA HIS A 7 -8.781 -12.951 2.778 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.401 -12.229 4.610 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.104 -12.420 5.773 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.176 -10.352 5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.886 -8.113 2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -7.084 -8.078 4.428 1.00 0.00 H new ATOM 127 N PRO A 8 -6.402 -14.044 3.343 1.00 0.00 N ATOM 128 CA PRO A 8 -4.931 -14.207 3.575 1.00 0.00 C ATOM 129 C PRO A 8 -4.198 -12.852 3.566 1.00 0.00 C ATOM 130 O PRO A 8 -4.521 -11.965 2.799 1.00 0.00 O ATOM 131 CB PRO A 8 -4.456 -15.109 2.405 1.00 0.00 C ATOM 132 CG PRO A 8 -5.704 -15.753 1.863 1.00 0.00 C ATOM 133 CD PRO A 8 -6.848 -14.764 2.134 1.00 0.00 C ATOM 0 HA PRO A 8 -4.717 -14.642 4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.951 -14.523 1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.745 -15.860 2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.607 -15.953 0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.892 -16.709 2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.998 -14.085 1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.794 -15.280 2.300 1.00 0.00 H new ATOM 141 N LEU A 9 -3.214 -12.691 4.410 1.00 0.00 N ATOM 142 CA LEU A 9 -2.460 -11.404 4.450 1.00 0.00 C ATOM 143 C LEU A 9 -1.732 -11.204 3.116 1.00 0.00 C ATOM 144 O LEU A 9 -1.717 -10.122 2.559 1.00 0.00 O ATOM 145 CB LEU A 9 -1.426 -11.462 5.582 1.00 0.00 C ATOM 146 CG LEU A 9 -2.129 -11.543 6.955 1.00 0.00 C ATOM 147 CD1 LEU A 9 -1.081 -11.853 8.038 1.00 0.00 C ATOM 148 CD2 LEU A 9 -2.844 -10.209 7.296 1.00 0.00 C ATOM 0 H LEU A 9 -2.899 -13.397 5.075 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.150 -10.578 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.779 -12.329 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.788 -10.579 5.545 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.879 -12.333 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.569 -11.912 9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.599 -12.805 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.331 -11.062 8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.330 -10.295 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.112 -9.402 7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.592 -9.992 6.534 1.00 0.00 H new ATOM 160 N GLN A 10 -1.122 -12.243 2.604 1.00 0.00 N ATOM 161 CA GLN A 10 -0.389 -12.121 1.312 1.00 0.00 C ATOM 162 C GLN A 10 -1.384 -11.811 0.190 1.00 0.00 C ATOM 163 O GLN A 10 -1.158 -10.945 -0.632 1.00 0.00 O ATOM 164 CB GLN A 10 0.332 -13.444 1.019 1.00 0.00 C ATOM 165 CG GLN A 10 1.248 -13.274 -0.195 1.00 0.00 C ATOM 166 CD GLN A 10 1.965 -14.590 -0.493 1.00 0.00 C ATOM 167 OE1 GLN A 10 1.366 -15.647 -0.455 1.00 0.00 O ATOM 168 NE2 GLN A 10 3.236 -14.571 -0.794 1.00 0.00 N ATOM 0 H GLN A 10 -1.101 -13.171 3.027 1.00 0.00 H new ATOM 0 HA GLN A 10 0.342 -11.315 1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.916 -13.751 1.887 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.397 -14.232 0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.664 -12.963 -1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.978 -12.487 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.739 -13.684 -0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.725 -15.443 -0.997 1.00 0.00 H new ATOM 177 N ASP A 11 -2.485 -12.509 0.155 1.00 0.00 N ATOM 178 CA ASP A 11 -3.500 -12.258 -0.906 1.00 0.00 C ATOM 179 C ASP A 11 -4.103 -10.867 -0.713 1.00 0.00 C ATOM 180 O ASP A 11 -4.517 -10.221 -1.658 1.00 0.00 O ATOM 181 CB ASP A 11 -4.605 -13.312 -0.811 1.00 0.00 C ATOM 182 CG ASP A 11 -5.545 -13.185 -2.013 1.00 0.00 C ATOM 183 OD1 ASP A 11 -5.068 -13.300 -3.128 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.728 -12.976 -1.796 1.00 0.00 O ATOM 0 H ASP A 11 -2.726 -13.245 0.818 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.026 -12.315 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.167 -14.310 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.165 -13.184 0.116 1.00 0.00 H new ATOM 189 N MET A 12 -4.173 -10.406 0.507 1.00 0.00 N ATOM 190 CA MET A 12 -4.765 -9.065 0.771 1.00 0.00 C ATOM 191 C MET A 12 -3.949 -7.987 0.052 1.00 0.00 C ATOM 192 O MET A 12 -4.427 -7.339 -0.857 1.00 0.00 O ATOM 193 CB MET A 12 -4.742 -8.801 2.281 1.00 0.00 C ATOM 194 CG MET A 12 -5.503 -7.511 2.604 1.00 0.00 C ATOM 195 SD MET A 12 -5.439 -7.211 4.389 1.00 0.00 S ATOM 196 CE MET A 12 -6.714 -5.929 4.455 1.00 0.00 C ATOM 0 H MET A 12 -3.844 -10.903 1.335 1.00 0.00 H new ATOM 0 HA MET A 12 -5.791 -9.039 0.404 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.192 -9.640 2.811 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.712 -8.721 2.628 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.063 -6.671 2.066 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.539 -7.594 2.274 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.228 -5.976 5.415 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.251 -4.949 4.339 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.432 -6.088 3.651 1.00 0.00 H new ATOM 206 N PHE A 13 -2.726 -7.783 0.461 1.00 0.00 N ATOM 207 CA PHE A 13 -1.890 -6.736 -0.191 1.00 0.00 C ATOM 208 C PHE A 13 -1.635 -7.101 -1.656 1.00 0.00 C ATOM 209 O PHE A 13 -1.681 -6.260 -2.527 1.00 0.00 O ATOM 210 CB PHE A 13 -0.545 -6.615 0.542 1.00 0.00 C ATOM 211 CG PHE A 13 -0.765 -6.049 1.931 1.00 0.00 C ATOM 212 CD1 PHE A 13 -0.913 -4.667 2.103 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.816 -6.901 3.044 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.112 -4.137 3.385 1.00 0.00 C ATOM 215 CE2 PHE A 13 -1.013 -6.370 4.324 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.161 -4.989 4.494 1.00 0.00 C ATOM 0 H PHE A 13 -2.271 -8.295 1.217 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.420 -5.785 -0.144 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.068 -7.593 0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.129 -5.970 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.874 -4.009 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.703 -7.967 2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.228 -3.071 3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.051 -7.026 5.181 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.313 -4.580 5.482 1.00 0.00 H new ATOM 226 N THR A 14 -1.356 -8.343 -1.937 1.00 0.00 N ATOM 227 CA THR A 14 -1.081 -8.737 -3.349 1.00 0.00 C ATOM 228 C THR A 14 -2.299 -8.429 -4.221 1.00 0.00 C ATOM 229 O THR A 14 -2.177 -7.881 -5.297 1.00 0.00 O ATOM 230 CB THR A 14 -0.771 -10.237 -3.404 1.00 0.00 C ATOM 231 OG1 THR A 14 0.371 -10.506 -2.609 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.496 -10.668 -4.849 1.00 0.00 C ATOM 0 H THR A 14 -1.306 -9.100 -1.255 1.00 0.00 H new ATOM 0 HA THR A 14 -0.226 -8.174 -3.723 1.00 0.00 H new ATOM 0 HB THR A 14 -1.629 -10.793 -3.025 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.106 -10.572 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.277 -11.735 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.373 -10.462 -5.463 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.358 -10.113 -5.238 1.00 0.00 H new ATOM 240 N SER A 15 -3.472 -8.786 -3.778 1.00 0.00 N ATOM 241 CA SER A 15 -4.686 -8.520 -4.600 1.00 0.00 C ATOM 242 C SER A 15 -4.854 -7.015 -4.823 1.00 0.00 C ATOM 243 O SER A 15 -5.148 -6.573 -5.916 1.00 0.00 O ATOM 244 CB SER A 15 -5.917 -9.065 -3.878 1.00 0.00 C ATOM 245 OG SER A 15 -5.804 -10.477 -3.758 1.00 0.00 O ATOM 0 H SER A 15 -3.643 -9.249 -2.885 1.00 0.00 H new ATOM 0 HA SER A 15 -4.575 -9.013 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.005 -8.610 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.821 -8.806 -4.430 1.00 0.00 H new ATOM 0 HG SER A 15 -5.037 -10.697 -3.189 1.00 0.00 H new ATOM 251 N ALA A 16 -4.688 -6.224 -3.796 1.00 0.00 N ATOM 252 CA ALA A 16 -4.856 -4.748 -3.956 1.00 0.00 C ATOM 253 C ALA A 16 -3.709 -4.164 -4.783 1.00 0.00 C ATOM 254 O ALA A 16 -3.917 -3.335 -5.644 1.00 0.00 O ATOM 255 CB ALA A 16 -4.870 -4.086 -2.577 1.00 0.00 C ATOM 0 H ALA A 16 -4.444 -6.534 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.797 -4.557 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.992 -3.009 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.698 -4.485 -1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.930 -4.292 -2.065 1.00 0.00 H new ATOM 261 N ILE A 17 -2.498 -4.576 -4.519 1.00 0.00 N ATOM 262 CA ILE A 17 -1.340 -4.026 -5.280 1.00 0.00 C ATOM 263 C ILE A 17 -1.470 -4.401 -6.759 1.00 0.00 C ATOM 264 O ILE A 17 -1.262 -3.585 -7.632 1.00 0.00 O ATOM 265 CB ILE A 17 -0.044 -4.617 -4.691 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.179 -4.053 -3.269 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.165 -4.260 -5.579 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.257 -4.870 -2.545 1.00 0.00 C ATOM 0 H ILE A 17 -2.261 -5.269 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.317 -2.939 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.141 -5.702 -4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.481 -3.007 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.753 -4.085 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.071 -4.685 -5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.014 -4.666 -6.579 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.266 -3.176 -5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.408 -4.466 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.938 -5.910 -2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.191 -4.815 -3.103 1.00 0.00 H new ATOM 280 N GLU A 18 -1.798 -5.629 -7.044 1.00 0.00 N ATOM 281 CA GLU A 18 -1.923 -6.057 -8.466 1.00 0.00 C ATOM 282 C GLU A 18 -3.124 -5.365 -9.113 1.00 0.00 C ATOM 283 O GLU A 18 -3.103 -5.034 -10.279 1.00 0.00 O ATOM 284 CB GLU A 18 -2.106 -7.576 -8.519 1.00 0.00 C ATOM 285 CG GLU A 18 -0.815 -8.261 -8.055 1.00 0.00 C ATOM 286 CD GLU A 18 -1.018 -9.779 -7.997 1.00 0.00 C ATOM 287 OE1 GLU A 18 -2.110 -10.229 -8.303 1.00 0.00 O ATOM 288 OE2 GLU A 18 -0.073 -10.468 -7.646 1.00 0.00 O ATOM 0 H GLU A 18 -1.985 -6.356 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.021 -5.779 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.939 -7.875 -7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.352 -7.889 -9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.000 -8.021 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.528 -7.887 -7.072 1.00 0.00 H new ATOM 295 N ALA A 19 -4.177 -5.157 -8.370 1.00 0.00 N ATOM 296 CA ALA A 19 -5.381 -4.499 -8.953 1.00 0.00 C ATOM 297 C ALA A 19 -5.050 -3.060 -9.359 1.00 0.00 C ATOM 298 O ALA A 19 -5.516 -2.576 -10.372 1.00 0.00 O ATOM 299 CB ALA A 19 -6.506 -4.490 -7.917 1.00 0.00 C ATOM 0 H ALA A 19 -4.256 -5.414 -7.386 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.698 -5.053 -9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.387 -4.009 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.751 -5.515 -7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.183 -3.940 -7.033 1.00 0.00 H new ATOM 305 N VAL A 20 -4.252 -2.368 -8.574 1.00 0.00 N ATOM 306 CA VAL A 20 -3.892 -0.946 -8.904 1.00 0.00 C ATOM 307 C VAL A 20 -2.520 -0.909 -9.587 1.00 0.00 C ATOM 308 O VAL A 20 -1.993 0.145 -9.885 1.00 0.00 O ATOM 309 CB VAL A 20 -3.868 -0.110 -7.610 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.179 -0.336 -6.847 1.00 0.00 C ATOM 311 CG2 VAL A 20 -2.679 -0.515 -6.720 1.00 0.00 C ATOM 0 H VAL A 20 -3.833 -2.728 -7.716 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.634 -0.527 -9.583 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.760 0.943 -7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.172 0.252 -5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.020 -0.028 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.279 -1.393 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.682 0.088 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.765 -1.569 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.747 -0.351 -7.261 1.00 0.00 H new ATOM 321 N ALA A 21 -1.937 -2.051 -9.844 1.00 0.00 N ATOM 322 CA ALA A 21 -0.604 -2.076 -10.514 1.00 0.00 C ATOM 323 C ALA A 21 -0.755 -1.630 -11.975 1.00 0.00 C ATOM 324 O ALA A 21 0.131 -1.830 -12.784 1.00 0.00 O ATOM 325 CB ALA A 21 -0.033 -3.502 -10.472 1.00 0.00 C ATOM 0 H ALA A 21 -2.326 -2.966 -9.619 1.00 0.00 H new ATOM 0 HA ALA A 21 0.073 -1.398 -9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.941 -3.519 -10.962 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.077 -3.820 -9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.711 -4.181 -10.989 1.00 0.00 H new ATOM 331 N ARG A 22 -1.875 -1.040 -12.326 1.00 0.00 N ATOM 332 CA ARG A 22 -2.094 -0.594 -13.742 1.00 0.00 C ATOM 333 C ARG A 22 -0.868 0.158 -14.268 1.00 0.00 C ATOM 334 O ARG A 22 0.007 0.555 -13.525 1.00 0.00 O ATOM 335 CB ARG A 22 -3.343 0.310 -13.814 1.00 0.00 C ATOM 336 CG ARG A 22 -4.597 -0.557 -13.634 1.00 0.00 C ATOM 337 CD ARG A 22 -5.883 0.309 -13.547 1.00 0.00 C ATOM 338 NE ARG A 22 -5.736 1.570 -14.357 1.00 0.00 N ATOM 339 CZ ARG A 22 -6.793 2.198 -14.844 1.00 0.00 C ATOM 340 NH1 ARG A 22 -7.988 1.669 -14.756 1.00 0.00 N ATOM 341 NH2 ARG A 22 -6.648 3.360 -15.425 1.00 0.00 N ATOM 0 H ARG A 22 -2.649 -0.847 -11.691 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.249 -1.474 -14.367 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.300 1.075 -13.039 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.378 0.829 -14.772 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.682 -1.253 -14.469 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.499 -1.156 -12.729 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.737 -0.263 -13.909 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.087 0.562 -12.506 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.805 1.946 -14.533 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.112 0.761 -14.307 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.794 2.165 -15.136 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.722 3.780 -15.502 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.461 3.847 -15.802 1.00 0.00 H new ATOM 355 N ASP A 23 -0.795 0.323 -15.559 1.00 0.00 N ATOM 356 CA ASP A 23 0.372 1.018 -16.175 1.00 0.00 C ATOM 357 C ASP A 23 0.651 2.333 -15.439 1.00 0.00 C ATOM 358 O ASP A 23 0.052 3.353 -15.711 1.00 0.00 O ATOM 359 CB ASP A 23 0.057 1.306 -17.647 1.00 0.00 C ATOM 360 CG ASP A 23 -0.006 -0.010 -18.433 1.00 0.00 C ATOM 361 OD1 ASP A 23 0.459 -1.014 -17.916 1.00 0.00 O ATOM 362 OD2 ASP A 23 -0.516 0.011 -19.540 1.00 0.00 O ATOM 0 H ASP A 23 -1.501 0.003 -16.222 1.00 0.00 H new ATOM 0 HA ASP A 23 1.255 0.383 -16.101 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.893 1.834 -17.728 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.821 1.957 -18.071 1.00 0.00 H new ATOM 367 N SER A 24 1.575 2.313 -14.517 1.00 0.00 N ATOM 368 CA SER A 24 1.922 3.553 -13.765 1.00 0.00 C ATOM 369 C SER A 24 3.258 3.339 -13.046 1.00 0.00 C ATOM 370 O SER A 24 4.270 3.902 -13.411 1.00 0.00 O ATOM 371 CB SER A 24 0.820 3.865 -12.745 1.00 0.00 C ATOM 372 OG SER A 24 -0.449 3.756 -13.376 1.00 0.00 O ATOM 0 H SER A 24 2.108 1.485 -14.251 1.00 0.00 H new ATOM 0 HA SER A 24 2.009 4.393 -14.454 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.881 3.175 -11.904 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.954 4.869 -12.343 1.00 0.00 H new ATOM 0 HG SER A 24 -0.409 4.168 -14.264 1.00 0.00 H new ATOM 378 N GLY A 25 3.271 2.516 -12.029 1.00 0.00 N ATOM 379 CA GLY A 25 4.543 2.252 -11.288 1.00 0.00 C ATOM 380 C GLY A 25 4.224 1.700 -9.897 1.00 0.00 C ATOM 381 O GLY A 25 3.574 2.345 -9.100 1.00 0.00 O ATOM 0 H GLY A 25 2.455 2.014 -11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.156 1.540 -11.841 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.122 3.171 -11.201 1.00 0.00 H new ATOM 385 N TRP A 26 4.697 0.516 -9.597 1.00 0.00 N ATOM 386 CA TRP A 26 4.448 -0.094 -8.248 1.00 0.00 C ATOM 387 C TRP A 26 2.965 0.070 -7.861 1.00 0.00 C ATOM 388 O TRP A 26 2.080 -0.373 -8.566 1.00 0.00 O ATOM 389 CB TRP A 26 5.346 0.609 -7.210 1.00 0.00 C ATOM 390 CG TRP A 26 6.784 0.258 -7.446 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.479 0.504 -8.582 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.716 -0.391 -6.531 1.00 0.00 C ATOM 393 NE1 TRP A 26 8.772 0.036 -8.425 1.00 0.00 N ATOM 394 CE2 TRP A 26 8.967 -0.522 -7.178 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.597 -0.877 -5.219 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.061 -1.115 -6.545 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.695 -1.474 -4.578 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.923 -1.594 -5.239 1.00 0.00 C ATOM 0 H TRP A 26 5.249 -0.061 -10.232 1.00 0.00 H new ATOM 0 HA TRP A 26 4.683 -1.158 -8.276 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.212 1.689 -7.275 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.052 0.311 -6.203 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.088 0.986 -9.466 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.493 0.096 -9.144 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.654 -0.791 -4.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.006 -1.203 -7.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.591 -1.843 -3.568 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.763 -2.056 -4.741 1.00 0.00 H new ATOM 409 N ALA A 27 2.689 0.708 -6.752 1.00 0.00 N ATOM 410 CA ALA A 27 1.274 0.908 -6.323 1.00 0.00 C ATOM 411 C ALA A 27 1.244 1.936 -5.187 1.00 0.00 C ATOM 412 O ALA A 27 1.802 1.724 -4.129 1.00 0.00 O ATOM 413 CB ALA A 27 0.690 -0.423 -5.836 1.00 0.00 C ATOM 0 H ALA A 27 3.389 1.101 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 27 0.678 1.268 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.344 -0.274 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.723 -1.152 -6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.275 -0.790 -4.993 1.00 0.00 H new ATOM 419 N GLU A 28 0.600 3.052 -5.399 1.00 0.00 N ATOM 420 CA GLU A 28 0.547 4.089 -4.331 1.00 0.00 C ATOM 421 C GLU A 28 -0.176 3.529 -3.107 1.00 0.00 C ATOM 422 O GLU A 28 -1.229 2.935 -3.210 1.00 0.00 O ATOM 423 CB GLU A 28 -0.201 5.320 -4.853 1.00 0.00 C ATOM 424 CG GLU A 28 0.623 5.988 -5.956 1.00 0.00 C ATOM 425 CD GLU A 28 -0.158 7.166 -6.552 1.00 0.00 C ATOM 426 OE1 GLU A 28 -1.263 7.416 -6.098 1.00 0.00 O ATOM 427 OE2 GLU A 28 0.366 7.800 -7.451 1.00 0.00 O ATOM 0 H GLU A 28 0.111 3.289 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 28 1.561 4.373 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.177 5.028 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.377 6.024 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.573 6.338 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.857 5.264 -6.736 1.00 0.00 H new ATOM 434 N LEU A 29 0.401 3.696 -1.946 1.00 0.00 N ATOM 435 CA LEU A 29 -0.225 3.161 -0.704 1.00 0.00 C ATOM 436 C LEU A 29 -1.657 3.687 -0.588 1.00 0.00 C ATOM 437 O LEU A 29 -2.555 2.978 -0.175 1.00 0.00 O ATOM 438 CB LEU A 29 0.607 3.620 0.507 1.00 0.00 C ATOM 439 CG LEU A 29 0.002 3.107 1.833 1.00 0.00 C ATOM 440 CD1 LEU A 29 -0.059 1.564 1.851 1.00 0.00 C ATOM 441 CD2 LEU A 29 0.879 3.608 2.991 1.00 0.00 C ATOM 0 H LEU A 29 1.286 4.184 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.252 2.072 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.630 3.256 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.656 4.709 0.525 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.016 3.483 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.489 1.228 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.679 1.215 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.947 1.159 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.468 3.256 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.893 3.226 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.899 4.698 2.987 1.00 0.00 H new ATOM 453 N SER A 30 -1.882 4.917 -0.954 1.00 0.00 N ATOM 454 CA SER A 30 -3.258 5.478 -0.870 1.00 0.00 C ATOM 455 C SER A 30 -4.197 4.622 -1.722 1.00 0.00 C ATOM 456 O SER A 30 -5.296 4.298 -1.318 1.00 0.00 O ATOM 457 CB SER A 30 -3.249 6.913 -1.400 1.00 0.00 C ATOM 458 OG SER A 30 -4.586 7.334 -1.638 1.00 0.00 O ATOM 0 H SER A 30 -1.172 5.558 -1.308 1.00 0.00 H new ATOM 0 HA SER A 30 -3.599 5.476 0.165 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.769 7.576 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.668 6.969 -2.321 1.00 0.00 H new ATOM 0 HG SER A 30 -4.584 8.254 -1.976 1.00 0.00 H new ATOM 464 N ALA A 31 -3.770 4.250 -2.898 1.00 0.00 N ATOM 465 CA ALA A 31 -4.633 3.414 -3.774 1.00 0.00 C ATOM 466 C ALA A 31 -4.872 2.054 -3.108 1.00 0.00 C ATOM 467 O ALA A 31 -5.948 1.499 -3.185 1.00 0.00 O ATOM 468 CB ALA A 31 -3.944 3.206 -5.121 1.00 0.00 C ATOM 0 H ALA A 31 -2.859 4.490 -3.289 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.588 3.917 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.577 2.593 -5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.774 4.172 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.989 2.704 -4.967 1.00 0.00 H new ATOM 474 N VAL A 32 -3.873 1.508 -2.462 1.00 0.00 N ATOM 475 CA VAL A 32 -4.047 0.182 -1.803 1.00 0.00 C ATOM 476 C VAL A 32 -5.119 0.297 -0.713 1.00 0.00 C ATOM 477 O VAL A 32 -6.026 -0.504 -0.639 1.00 0.00 O ATOM 478 CB VAL A 32 -2.706 -0.235 -1.176 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.865 -1.549 -0.396 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.664 -0.416 -2.285 1.00 0.00 C ATOM 0 H VAL A 32 -2.947 1.924 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.359 -0.565 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.379 0.542 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.907 -1.831 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.601 -1.415 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.200 -2.335 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.712 -0.712 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.999 -1.189 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.539 0.523 -2.823 1.00 0.00 H new ATOM 490 N GLY A 33 -5.014 1.280 0.137 1.00 0.00 N ATOM 491 CA GLY A 33 -6.021 1.432 1.225 1.00 0.00 C ATOM 492 C GLY A 33 -7.402 1.704 0.623 1.00 0.00 C ATOM 493 O GLY A 33 -8.380 1.083 0.988 1.00 0.00 O ATOM 0 H GLY A 33 -4.276 1.984 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.051 0.528 1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.735 2.251 1.885 1.00 0.00 H new ATOM 497 N SER A 34 -7.489 2.627 -0.294 1.00 0.00 N ATOM 498 CA SER A 34 -8.808 2.936 -0.916 1.00 0.00 C ATOM 499 C SER A 34 -9.338 1.702 -1.651 1.00 0.00 C ATOM 500 O SER A 34 -10.505 1.375 -1.570 1.00 0.00 O ATOM 501 CB SER A 34 -8.642 4.088 -1.907 1.00 0.00 C ATOM 502 OG SER A 34 -8.159 5.231 -1.217 1.00 0.00 O ATOM 0 H SER A 34 -6.705 3.180 -0.640 1.00 0.00 H new ATOM 0 HA SER A 34 -9.516 3.220 -0.138 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.948 3.806 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.596 4.313 -2.385 1.00 0.00 H new ATOM 0 HG SER A 34 -7.189 5.156 -1.099 1.00 0.00 H new ATOM 508 N TYR A 35 -8.491 1.021 -2.373 1.00 0.00 N ATOM 509 CA TYR A 35 -8.948 -0.186 -3.120 1.00 0.00 C ATOM 510 C TYR A 35 -9.476 -1.233 -2.135 1.00 0.00 C ATOM 511 O TYR A 35 -10.513 -1.829 -2.347 1.00 0.00 O ATOM 512 CB TYR A 35 -7.769 -0.766 -3.910 1.00 0.00 C ATOM 513 CG TYR A 35 -8.212 -2.018 -4.648 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.736 -1.919 -5.945 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.099 -3.273 -4.034 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.144 -3.074 -6.625 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.509 -4.427 -4.715 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.031 -4.326 -6.010 1.00 0.00 C ATOM 519 OH TYR A 35 -9.434 -5.463 -6.680 1.00 0.00 O ATOM 0 H TYR A 35 -7.502 1.248 -2.478 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.747 0.090 -3.808 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.396 -0.027 -4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.947 -1.002 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.825 -0.953 -6.419 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.696 -3.351 -3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.546 -2.998 -7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.422 -5.394 -4.241 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.895 -6.226 -6.384 1.00 0.00 H new ATOM 529 N LEU A 36 -8.766 -1.467 -1.066 1.00 0.00 N ATOM 530 CA LEU A 36 -9.217 -2.480 -0.069 1.00 0.00 C ATOM 531 C LEU A 36 -10.565 -2.051 0.513 1.00 0.00 C ATOM 532 O LEU A 36 -11.454 -2.859 0.701 1.00 0.00 O ATOM 533 CB LEU A 36 -8.173 -2.575 1.055 1.00 0.00 C ATOM 534 CG LEU A 36 -6.861 -3.221 0.531 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.714 -2.898 1.499 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.002 -4.758 0.435 1.00 0.00 C ATOM 0 H LEU A 36 -7.889 -0.998 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.326 -3.453 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.963 -1.580 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.571 -3.166 1.880 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.654 -2.818 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.792 -3.350 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.587 -1.817 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.948 -3.297 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.070 -5.186 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.223 -5.165 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.812 -5.007 -0.250 1.00 0.00 H new ATOM 548 N ALA A 37 -10.728 -0.787 0.793 1.00 0.00 N ATOM 549 CA ALA A 37 -12.025 -0.316 1.356 1.00 0.00 C ATOM 550 C ALA A 37 -13.160 -0.703 0.402 1.00 0.00 C ATOM 551 O ALA A 37 -14.189 -1.200 0.814 1.00 0.00 O ATOM 552 CB ALA A 37 -11.989 1.205 1.521 1.00 0.00 C ATOM 0 H ALA A 37 -10.023 -0.063 0.657 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.192 -0.779 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.938 1.549 1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.179 1.479 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.824 1.672 0.550 1.00 0.00 H new ATOM 558 N LYS A 38 -12.976 -0.485 -0.873 1.00 0.00 N ATOM 559 CA LYS A 38 -14.033 -0.848 -1.857 1.00 0.00 C ATOM 560 C LYS A 38 -14.220 -2.369 -1.881 1.00 0.00 C ATOM 561 O LYS A 38 -15.330 -2.867 -1.876 1.00 0.00 O ATOM 562 CB LYS A 38 -13.608 -0.360 -3.244 1.00 0.00 C ATOM 563 CG LYS A 38 -14.739 -0.612 -4.255 1.00 0.00 C ATOM 564 CD LYS A 38 -14.376 -0.014 -5.643 1.00 0.00 C ATOM 565 CE LYS A 38 -14.801 1.459 -5.729 1.00 0.00 C ATOM 566 NZ LYS A 38 -16.284 1.550 -5.639 1.00 0.00 N ATOM 0 H LYS A 38 -12.136 -0.070 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.975 -0.380 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.370 0.703 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.703 -0.879 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.917 -1.683 -4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.665 -0.166 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.302 -0.098 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.867 -0.586 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.341 2.030 -4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.455 1.895 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.611 2.397 -6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.710 0.704 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.568 1.613 -4.640 1.00 0.00 H new ATOM 580 N ASN A 39 -13.146 -3.112 -1.919 1.00 0.00 N ATOM 581 CA ASN A 39 -13.264 -4.600 -1.962 1.00 0.00 C ATOM 582 C ASN A 39 -13.904 -5.105 -0.661 1.00 0.00 C ATOM 583 O ASN A 39 -14.719 -6.007 -0.672 1.00 0.00 O ATOM 584 CB ASN A 39 -11.862 -5.213 -2.124 1.00 0.00 C ATOM 585 CG ASN A 39 -11.367 -5.016 -3.563 1.00 0.00 C ATOM 586 OD1 ASN A 39 -11.519 -3.854 -4.140 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -10.840 -5.928 -4.166 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.191 -2.753 -1.922 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.890 -4.894 -2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.169 -4.746 -1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.890 -6.276 -1.883 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.721 -6.836 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.516 -5.787 -5.123 1.00 0.00 H new ATOM 594 N ASP A 40 -13.532 -4.539 0.460 1.00 0.00 N ATOM 595 CA ASP A 40 -14.105 -4.990 1.772 1.00 0.00 C ATOM 596 C ASP A 40 -15.400 -4.194 2.041 1.00 0.00 C ATOM 597 O ASP A 40 -15.604 -3.138 1.476 1.00 0.00 O ATOM 598 CB ASP A 40 -13.031 -4.751 2.886 1.00 0.00 C ATOM 599 CG ASP A 40 -13.399 -3.562 3.787 1.00 0.00 C ATOM 600 OD1 ASP A 40 -13.656 -2.497 3.246 1.00 0.00 O ATOM 601 OD2 ASP A 40 -13.421 -3.737 4.993 1.00 0.00 O ATOM 0 H ASP A 40 -12.853 -3.780 0.526 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.356 -6.051 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.931 -5.650 3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.061 -4.570 2.423 1.00 0.00 H new ATOM 606 N PRO A 41 -16.267 -4.681 2.903 1.00 0.00 N ATOM 607 CA PRO A 41 -17.540 -3.967 3.234 1.00 0.00 C ATOM 608 C PRO A 41 -17.264 -2.594 3.880 1.00 0.00 C ATOM 609 O PRO A 41 -17.943 -1.626 3.607 1.00 0.00 O ATOM 610 CB PRO A 41 -18.265 -4.930 4.207 1.00 0.00 C ATOM 611 CG PRO A 41 -17.172 -5.783 4.780 1.00 0.00 C ATOM 612 CD PRO A 41 -16.146 -5.946 3.651 1.00 0.00 C ATOM 0 HA PRO A 41 -18.140 -3.744 2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -18.791 -4.382 4.989 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -19.008 -5.534 3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -16.723 -5.311 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.557 -6.750 5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -15.138 -6.089 4.040 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.371 -6.808 3.023 1.00 0.00 H new ATOM 620 N SER A 42 -16.258 -2.505 4.715 1.00 0.00 N ATOM 621 CA SER A 42 -15.925 -1.195 5.362 1.00 0.00 C ATOM 622 C SER A 42 -14.578 -1.313 6.092 1.00 0.00 C ATOM 623 O SER A 42 -14.527 -1.434 7.299 1.00 0.00 O ATOM 624 CB SER A 42 -17.016 -0.818 6.373 1.00 0.00 C ATOM 625 OG SER A 42 -18.212 -0.485 5.680 1.00 0.00 O ATOM 0 H SER A 42 -15.652 -3.282 4.977 1.00 0.00 H new ATOM 0 HA SER A 42 -15.863 -0.424 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.198 -1.649 7.054 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.688 0.026 6.980 1.00 0.00 H new ATOM 0 HG SER A 42 -18.072 -0.593 4.716 1.00 0.00 H new ATOM 631 N PHE A 43 -13.493 -1.284 5.367 1.00 0.00 N ATOM 632 CA PHE A 43 -12.154 -1.402 6.019 1.00 0.00 C ATOM 633 C PHE A 43 -11.970 -0.259 7.017 1.00 0.00 C ATOM 634 O PHE A 43 -12.748 0.674 7.061 1.00 0.00 O ATOM 635 CB PHE A 43 -11.043 -1.351 4.954 1.00 0.00 C ATOM 636 CG PHE A 43 -9.710 -1.755 5.567 1.00 0.00 C ATOM 637 CD1 PHE A 43 -9.533 -3.064 6.046 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.648 -0.835 5.658 1.00 0.00 C ATOM 639 CE1 PHE A 43 -8.312 -3.445 6.614 1.00 0.00 C ATOM 640 CE2 PHE A 43 -7.428 -1.223 6.226 1.00 0.00 C ATOM 641 CZ PHE A 43 -7.260 -2.527 6.702 1.00 0.00 C ATOM 0 H PHE A 43 -13.474 -1.184 4.352 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.094 -2.355 6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.289 -2.019 4.128 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.972 -0.345 4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.341 -3.777 5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.774 0.172 5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.181 -4.451 6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.616 -0.514 6.296 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.318 -2.826 7.138 1.00 0.00 H new ATOM 651 N ASP A 44 -10.938 -0.338 7.823 1.00 0.00 N ATOM 652 CA ASP A 44 -10.653 0.724 8.848 1.00 0.00 C ATOM 653 C ASP A 44 -9.204 1.200 8.679 1.00 0.00 C ATOM 654 O ASP A 44 -8.340 0.828 9.446 1.00 0.00 O ATOM 655 CB ASP A 44 -10.813 0.116 10.244 1.00 0.00 C ATOM 656 CG ASP A 44 -12.274 -0.282 10.463 1.00 0.00 C ATOM 657 OD1 ASP A 44 -13.132 0.575 10.313 1.00 0.00 O ATOM 658 OD2 ASP A 44 -12.513 -1.436 10.782 1.00 0.00 O ATOM 0 H ASP A 44 -10.268 -1.107 7.816 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.339 1.561 8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.168 -0.756 10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.503 0.834 11.003 1.00 0.00 H new ATOM 663 N PRO A 45 -8.923 2.004 7.677 1.00 0.00 N ATOM 664 CA PRO A 45 -7.538 2.497 7.438 1.00 0.00 C ATOM 665 C PRO A 45 -7.131 3.553 8.479 1.00 0.00 C ATOM 666 O PRO A 45 -5.966 3.729 8.778 1.00 0.00 O ATOM 667 CB PRO A 45 -7.583 3.067 6.003 1.00 0.00 C ATOM 668 CG PRO A 45 -9.023 3.447 5.771 1.00 0.00 C ATOM 669 CD PRO A 45 -9.882 2.540 6.686 1.00 0.00 C ATOM 0 HA PRO A 45 -6.787 1.713 7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.927 3.932 5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.249 2.327 5.275 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.187 4.499 6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.295 3.308 4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.679 3.104 7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.357 1.739 6.119 1.00 0.00 H new ATOM 677 N ARG A 46 -8.090 4.216 9.071 1.00 0.00 N ATOM 678 CA ARG A 46 -7.762 5.225 10.119 1.00 0.00 C ATOM 679 C ARG A 46 -7.153 4.484 11.312 1.00 0.00 C ATOM 680 O ARG A 46 -6.233 4.954 11.949 1.00 0.00 O ATOM 681 CB ARG A 46 -9.041 5.932 10.575 1.00 0.00 C ATOM 682 CG ARG A 46 -9.595 6.831 9.459 1.00 0.00 C ATOM 683 CD ARG A 46 -10.982 7.332 9.889 1.00 0.00 C ATOM 684 NE ARG A 46 -11.591 8.276 8.893 1.00 0.00 N ATOM 685 CZ ARG A 46 -12.126 7.836 7.779 1.00 0.00 C ATOM 686 NH1 ARG A 46 -11.765 6.694 7.266 1.00 0.00 N ATOM 687 NH2 ARG A 46 -12.977 8.587 7.135 1.00 0.00 N ATOM 0 H ARG A 46 -9.084 4.102 8.874 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.066 5.965 9.723 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.790 5.192 10.858 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.834 6.531 11.462 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.925 7.672 9.281 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.665 6.276 8.523 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.645 6.478 10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.900 7.832 10.854 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.589 9.278 9.086 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.056 6.127 7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.191 6.367 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.221 9.508 7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.398 8.253 6.268 1.00 0.00 H new ATOM 701 N ASN A 47 -7.679 3.325 11.617 1.00 0.00 N ATOM 702 CA ASN A 47 -7.153 2.541 12.768 1.00 0.00 C ATOM 703 C ASN A 47 -5.688 2.201 12.512 1.00 0.00 C ATOM 704 O ASN A 47 -4.878 2.199 13.417 1.00 0.00 O ATOM 705 CB ASN A 47 -7.951 1.240 12.926 1.00 0.00 C ATOM 706 CG ASN A 47 -7.404 0.445 14.120 1.00 0.00 C ATOM 707 OD1 ASN A 47 -6.901 1.019 15.066 1.00 0.00 O ATOM 708 ND2 ASN A 47 -7.475 -0.858 14.116 1.00 0.00 N ATOM 0 H ASN A 47 -8.453 2.889 11.115 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.247 3.132 13.679 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.007 1.465 13.078 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.880 0.645 12.016 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.109 -1.391 14.905 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.896 -1.343 13.324 1.00 0.00 H new ATOM 715 N TRP A 48 -5.339 1.902 11.285 1.00 0.00 N ATOM 716 CA TRP A 48 -3.921 1.552 10.974 1.00 0.00 C ATOM 717 C TRP A 48 -3.144 2.832 10.666 1.00 0.00 C ATOM 718 O TRP A 48 -1.993 2.794 10.275 1.00 0.00 O ATOM 719 CB TRP A 48 -3.881 0.618 9.767 1.00 0.00 C ATOM 720 CG TRP A 48 -4.720 -0.594 10.053 1.00 0.00 C ATOM 721 CD1 TRP A 48 -5.888 -0.896 9.437 1.00 0.00 C ATOM 722 CD2 TRP A 48 -4.485 -1.660 11.021 1.00 0.00 C ATOM 723 NE1 TRP A 48 -6.379 -2.077 9.958 1.00 0.00 N ATOM 724 CE2 TRP A 48 -5.553 -2.588 10.938 1.00 0.00 C ATOM 725 CE3 TRP A 48 -3.460 -1.914 11.952 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -5.602 -3.722 11.748 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -3.508 -3.056 12.770 1.00 0.00 C ATOM 728 CH2 TRP A 48 -4.576 -3.958 12.667 1.00 0.00 C ATOM 0 H TRP A 48 -5.975 1.886 10.487 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.468 1.050 11.829 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.254 1.133 8.881 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.854 0.322 9.555 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.359 -0.308 8.663 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.247 -2.518 9.655 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.631 -1.227 12.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.428 -4.413 11.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.717 -3.240 13.482 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.606 -4.835 13.297 1.00 0.00 H new ATOM 739 N GLY A 49 -3.766 3.966 10.846 1.00 0.00 N ATOM 740 CA GLY A 49 -3.070 5.254 10.568 1.00 0.00 C ATOM 741 C GLY A 49 -2.745 5.339 9.076 1.00 0.00 C ATOM 742 O GLY A 49 -2.109 4.466 8.520 1.00 0.00 O ATOM 0 H GLY A 49 -4.728 4.055 11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.700 6.093 10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.155 5.321 11.156 1.00 0.00 H new ATOM 746 N HIS A 50 -3.173 6.384 8.424 1.00 0.00 N ATOM 747 CA HIS A 50 -2.887 6.521 6.968 1.00 0.00 C ATOM 748 C HIS A 50 -1.374 6.606 6.749 1.00 0.00 C ATOM 749 O HIS A 50 -0.900 6.500 5.636 1.00 0.00 O ATOM 750 CB HIS A 50 -3.551 7.796 6.438 1.00 0.00 C ATOM 751 CG HIS A 50 -3.399 7.866 4.942 1.00 0.00 C ATOM 752 ND1 HIS A 50 -2.291 8.438 4.337 1.00 0.00 N ATOM 753 CD2 HIS A 50 -4.208 7.444 3.918 1.00 0.00 C ATOM 754 CE1 HIS A 50 -2.463 8.346 3.006 1.00 0.00 C ATOM 755 NE2 HIS A 50 -3.616 7.749 2.697 1.00 0.00 N ATOM 0 H HIS A 50 -3.708 7.149 8.836 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.282 5.655 6.437 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.607 7.805 6.706 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.097 8.673 6.900 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.160 6.950 4.041 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.755 8.711 2.277 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.984 7.557 1.765 1.00 0.00 H new ATOM 763 N GLY A 51 -0.617 6.806 7.807 1.00 0.00 N ATOM 764 CA GLY A 51 0.880 6.914 7.693 1.00 0.00 C ATOM 765 C GLY A 51 1.534 5.724 8.402 1.00 0.00 C ATOM 766 O GLY A 51 2.475 5.131 7.909 1.00 0.00 O ATOM 0 H GLY A 51 -0.977 6.900 8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.175 6.933 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.223 7.849 8.137 1.00 0.00 H new ATOM 770 N ARG A 52 1.044 5.383 9.560 1.00 0.00 N ATOM 771 CA ARG A 52 1.629 4.248 10.324 1.00 0.00 C ATOM 772 C ARG A 52 1.361 2.946 9.561 1.00 0.00 C ATOM 773 O ARG A 52 1.920 1.910 9.858 1.00 0.00 O ATOM 774 CB ARG A 52 0.970 4.209 11.711 1.00 0.00 C ATOM 775 CG ARG A 52 1.766 3.315 12.671 1.00 0.00 C ATOM 776 CD ARG A 52 0.974 3.157 13.975 1.00 0.00 C ATOM 777 NE ARG A 52 -0.296 2.431 13.654 1.00 0.00 N ATOM 778 CZ ARG A 52 -0.413 1.137 13.826 1.00 0.00 C ATOM 779 NH1 ARG A 52 0.394 0.476 14.609 1.00 0.00 N ATOM 780 NH2 ARG A 52 -1.401 0.519 13.263 1.00 0.00 N ATOM 0 H ARG A 52 0.256 5.846 10.014 1.00 0.00 H new ATOM 0 HA ARG A 52 2.706 4.369 10.441 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.907 5.219 12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.051 3.836 11.623 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.944 2.340 12.218 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.742 3.755 12.874 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.556 2.602 14.711 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.757 4.132 14.411 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.091 2.958 13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.138 0.966 15.105 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.281 -0.531 14.725 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.072 1.039 12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.509 -0.488 13.385 1.00 0.00 H new ATOM 794 N LEU A 53 0.514 3.001 8.564 1.00 0.00 N ATOM 795 CA LEU A 53 0.215 1.781 7.764 1.00 0.00 C ATOM 796 C LEU A 53 1.505 1.327 7.081 1.00 0.00 C ATOM 797 O LEU A 53 1.814 0.154 7.028 1.00 0.00 O ATOM 798 CB LEU A 53 -0.857 2.117 6.710 1.00 0.00 C ATOM 799 CG LEU A 53 -1.110 0.925 5.759 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.562 -0.317 6.548 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.203 1.327 4.757 1.00 0.00 C ATOM 0 H LEU A 53 0.017 3.842 8.271 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.161 0.983 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.787 2.389 7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.540 2.985 6.131 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.186 0.677 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.734 -1.143 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.787 -0.596 7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.485 -0.092 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.396 0.498 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.118 1.574 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.872 2.195 4.187 1.00 0.00 H new ATOM 813 N SER A 54 2.263 2.255 6.558 1.00 0.00 N ATOM 814 CA SER A 54 3.534 1.882 5.884 1.00 0.00 C ATOM 815 C SER A 54 4.466 1.229 6.902 1.00 0.00 C ATOM 816 O SER A 54 5.159 0.277 6.604 1.00 0.00 O ATOM 817 CB SER A 54 4.192 3.138 5.309 1.00 0.00 C ATOM 818 OG SER A 54 4.433 4.060 6.364 1.00 0.00 O ATOM 0 H SER A 54 2.054 3.253 6.570 1.00 0.00 H new ATOM 0 HA SER A 54 3.332 1.181 5.074 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.128 2.879 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.547 3.589 4.555 1.00 0.00 H new ATOM 0 HG SER A 54 5.399 4.167 6.491 1.00 0.00 H new ATOM 824 N GLN A 55 4.486 1.735 8.106 1.00 0.00 N ATOM 825 CA GLN A 55 5.366 1.147 9.156 1.00 0.00 C ATOM 826 C GLN A 55 4.788 -0.201 9.609 1.00 0.00 C ATOM 827 O GLN A 55 5.512 -1.088 10.015 1.00 0.00 O ATOM 828 CB GLN A 55 5.444 2.114 10.352 1.00 0.00 C ATOM 829 CG GLN A 55 6.357 3.304 10.018 1.00 0.00 C ATOM 830 CD GLN A 55 5.860 4.007 8.750 1.00 0.00 C ATOM 831 OE1 GLN A 55 6.445 3.867 7.694 1.00 0.00 O ATOM 832 NE2 GLN A 55 4.799 4.763 8.810 1.00 0.00 N ATOM 0 H GLN A 55 3.928 2.534 8.408 1.00 0.00 H new ATOM 0 HA GLN A 55 6.367 0.989 8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.446 2.472 10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.825 1.589 11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.372 4.007 10.851 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.381 2.958 9.874 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.307 4.882 9.695 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.461 5.236 7.971 1.00 0.00 H new ATOM 841 N MET A 56 3.491 -0.360 9.561 1.00 0.00 N ATOM 842 CA MET A 56 2.887 -1.651 10.005 1.00 0.00 C ATOM 843 C MET A 56 3.341 -2.778 9.068 1.00 0.00 C ATOM 844 O MET A 56 3.753 -3.834 9.506 1.00 0.00 O ATOM 845 CB MET A 56 1.355 -1.532 9.974 1.00 0.00 C ATOM 846 CG MET A 56 0.714 -2.756 10.642 1.00 0.00 C ATOM 847 SD MET A 56 0.992 -2.675 12.429 1.00 0.00 S ATOM 848 CE MET A 56 0.471 -4.362 12.820 1.00 0.00 C ATOM 0 H MET A 56 2.828 0.343 9.236 1.00 0.00 H new ATOM 0 HA MET A 56 3.211 -1.878 11.021 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.043 -0.623 10.488 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.010 -1.449 8.943 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.355 -2.783 10.429 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.143 -3.672 10.237 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.563 -4.532 13.893 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.567 -4.501 12.519 1.00 0.00 H new ATOM 0 HE3 MET A 56 1.102 -5.071 12.285 1.00 0.00 H new ATOM 858 N VAL A 57 3.262 -2.561 7.781 1.00 0.00 N ATOM 859 CA VAL A 57 3.680 -3.617 6.810 1.00 0.00 C ATOM 860 C VAL A 57 5.207 -3.732 6.806 1.00 0.00 C ATOM 861 O VAL A 57 5.765 -4.717 6.367 1.00 0.00 O ATOM 862 CB VAL A 57 3.182 -3.251 5.405 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.653 -3.242 5.394 1.00 0.00 C ATOM 864 CG2 VAL A 57 3.695 -1.862 5.015 1.00 0.00 C ATOM 0 H VAL A 57 2.925 -1.696 7.359 1.00 0.00 H new ATOM 0 HA VAL A 57 3.248 -4.573 7.105 1.00 0.00 H new ATOM 0 HB VAL A 57 3.553 -3.987 4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.298 -2.982 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.281 -4.230 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.288 -2.507 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.338 -1.609 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.328 -1.125 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.785 -1.862 5.021 1.00 0.00 H new ATOM 874 N LYS A 58 5.882 -2.725 7.287 1.00 0.00 N ATOM 875 CA LYS A 58 7.373 -2.756 7.315 1.00 0.00 C ATOM 876 C LYS A 58 7.850 -3.915 8.189 1.00 0.00 C ATOM 877 O LYS A 58 8.915 -4.462 7.981 1.00 0.00 O ATOM 878 CB LYS A 58 7.896 -1.432 7.877 1.00 0.00 C ATOM 879 CG LYS A 58 9.420 -1.379 7.743 1.00 0.00 C ATOM 880 CD LYS A 58 9.924 -0.011 8.212 1.00 0.00 C ATOM 881 CE LYS A 58 11.444 0.059 8.056 1.00 0.00 C ATOM 882 NZ LYS A 58 12.084 -0.903 8.995 1.00 0.00 N ATOM 0 H LYS A 58 5.462 -1.876 7.665 1.00 0.00 H new ATOM 0 HA LYS A 58 7.753 -2.896 6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.445 -0.596 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.610 -1.332 8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.876 -2.170 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.711 -1.551 6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.452 0.780 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.648 0.152 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.726 -0.176 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.795 1.071 8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.090 -0.664 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.613 -0.850 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.997 -1.868 8.616 1.00 0.00 H new ATOM 896 N LYS A 59 7.075 -4.295 9.170 1.00 0.00 N ATOM 897 CA LYS A 59 7.494 -5.418 10.056 1.00 0.00 C ATOM 898 C LYS A 59 7.331 -6.743 9.304 1.00 0.00 C ATOM 899 O LYS A 59 7.637 -7.799 9.823 1.00 0.00 O ATOM 900 CB LYS A 59 6.603 -5.432 11.299 1.00 0.00 C ATOM 901 CG LYS A 59 6.838 -4.158 12.112 1.00 0.00 C ATOM 902 CD LYS A 59 5.938 -4.167 13.349 1.00 0.00 C ATOM 903 CE LYS A 59 6.214 -2.920 14.192 1.00 0.00 C ATOM 904 NZ LYS A 59 5.862 -1.702 13.411 1.00 0.00 N ATOM 0 H LYS A 59 6.172 -3.877 9.395 1.00 0.00 H new ATOM 0 HA LYS A 59 8.536 -5.289 10.349 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.555 -5.501 11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.823 -6.309 11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.884 -4.093 12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.626 -3.280 11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.890 -4.191 13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.122 -5.065 13.939 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.632 -2.955 15.113 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.265 -2.889 14.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.738 -0.898 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.625 -1.489 12.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.977 -1.867 12.891 1.00 0.00 H new ATOM 918 N LEU A 60 6.852 -6.693 8.080 1.00 0.00 N ATOM 919 CA LEU A 60 6.663 -7.945 7.267 1.00 0.00 C ATOM 920 C LEU A 60 7.827 -8.078 6.277 1.00 0.00 C ATOM 921 O LEU A 60 8.049 -7.222 5.444 1.00 0.00 O ATOM 922 CB LEU A 60 5.342 -7.846 6.497 1.00 0.00 C ATOM 923 CG LEU A 60 4.197 -7.486 7.460 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.889 -7.386 6.669 1.00 0.00 C ATOM 925 CD2 LEU A 60 4.061 -8.556 8.567 1.00 0.00 C ATOM 0 H LEU A 60 6.581 -5.832 7.605 1.00 0.00 H new ATOM 0 HA LEU A 60 6.639 -8.817 7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.423 -7.090 5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.128 -8.793 6.002 1.00 0.00 H new ATOM 0 HG LEU A 60 4.417 -6.529 7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.073 -7.131 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.983 -6.613 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.679 -8.343 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.246 -8.284 9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.849 -9.524 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.991 -8.616 9.132 1.00 0.00 H new ATOM 937 N ASP A 61 8.584 -9.139 6.377 1.00 0.00 N ATOM 938 CA ASP A 61 9.751 -9.329 5.462 1.00 0.00 C ATOM 939 C ASP A 61 9.297 -9.722 4.048 1.00 0.00 C ATOM 940 O ASP A 61 9.904 -9.332 3.071 1.00 0.00 O ATOM 941 CB ASP A 61 10.653 -10.434 6.023 1.00 0.00 C ATOM 942 CG ASP A 61 9.846 -11.723 6.209 1.00 0.00 C ATOM 943 OD1 ASP A 61 8.630 -11.650 6.192 1.00 0.00 O ATOM 944 OD2 ASP A 61 10.462 -12.763 6.369 1.00 0.00 O ATOM 0 H ASP A 61 8.444 -9.887 7.056 1.00 0.00 H new ATOM 0 HA ASP A 61 10.293 -8.385 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.488 -10.612 5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.077 -10.120 6.977 1.00 0.00 H new ATOM 949 N PHE A 62 8.262 -10.514 3.920 1.00 0.00 N ATOM 950 CA PHE A 62 7.819 -10.946 2.557 1.00 0.00 C ATOM 951 C PHE A 62 7.160 -9.784 1.799 1.00 0.00 C ATOM 952 O PHE A 62 6.451 -9.990 0.835 1.00 0.00 O ATOM 953 CB PHE A 62 6.840 -12.123 2.682 1.00 0.00 C ATOM 954 CG PHE A 62 5.580 -11.684 3.402 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.532 -11.700 4.802 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.458 -11.270 2.672 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.368 -11.303 5.468 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.295 -10.869 3.339 1.00 0.00 C ATOM 959 CZ PHE A 62 3.250 -10.887 4.738 1.00 0.00 C ATOM 0 H PHE A 62 7.707 -10.879 4.694 1.00 0.00 H new ATOM 0 HA PHE A 62 8.695 -11.263 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.588 -12.502 1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.312 -12.941 3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.395 -12.019 5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.491 -11.260 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.332 -11.318 6.547 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.433 -10.546 2.775 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.352 -10.580 5.254 1.00 0.00 H new ATOM 969 N LEU A 63 7.404 -8.560 2.217 1.00 0.00 N ATOM 970 CA LEU A 63 6.815 -7.363 1.517 1.00 0.00 C ATOM 971 C LEU A 63 7.893 -6.278 1.378 1.00 0.00 C ATOM 972 O LEU A 63 8.551 -5.914 2.330 1.00 0.00 O ATOM 973 CB LEU A 63 5.620 -6.825 2.338 1.00 0.00 C ATOM 974 CG LEU A 63 4.349 -7.688 2.089 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.395 -7.583 3.286 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.601 -7.200 0.831 1.00 0.00 C ATOM 0 H LEU A 63 7.991 -8.336 3.020 1.00 0.00 H new ATOM 0 HA LEU A 63 6.464 -7.648 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.869 -6.832 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.421 -5.789 2.064 1.00 0.00 H new ATOM 0 HG LEU A 63 4.668 -8.721 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.510 -8.191 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.898 -7.940 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.099 -6.543 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.715 -7.815 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.302 -6.161 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.257 -7.279 -0.036 1.00 0.00 H new ATOM 988 N THR A 64 8.070 -5.756 0.193 1.00 0.00 N ATOM 989 CA THR A 64 9.096 -4.688 -0.031 1.00 0.00 C ATOM 990 C THR A 64 8.454 -3.327 0.230 1.00 0.00 C ATOM 991 O THR A 64 7.365 -3.054 -0.232 1.00 0.00 O ATOM 992 CB THR A 64 9.578 -4.753 -1.483 1.00 0.00 C ATOM 993 OG1 THR A 64 10.129 -6.039 -1.739 1.00 0.00 O ATOM 994 CG2 THR A 64 10.649 -3.684 -1.722 1.00 0.00 C ATOM 0 H THR A 64 7.544 -6.025 -0.639 1.00 0.00 H new ATOM 0 HA THR A 64 9.942 -4.833 0.641 1.00 0.00 H new ATOM 0 HB THR A 64 8.736 -4.574 -2.151 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.437 -6.084 -2.668 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.989 -3.734 -2.756 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.229 -2.698 -1.526 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.493 -3.858 -1.054 1.00 0.00 H new ATOM 1002 N VAL A 65 9.120 -2.470 0.977 1.00 0.00 N ATOM 1003 CA VAL A 65 8.561 -1.108 1.293 1.00 0.00 C ATOM 1004 C VAL A 65 9.573 -0.033 0.895 1.00 0.00 C ATOM 1005 O VAL A 65 10.743 -0.115 1.208 1.00 0.00 O ATOM 1006 CB VAL A 65 8.297 -1.009 2.797 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.695 0.362 3.135 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.323 -2.116 3.209 1.00 0.00 C ATOM 0 H VAL A 65 10.036 -2.658 1.385 1.00 0.00 H new ATOM 0 HA VAL A 65 7.633 -0.961 0.740 1.00 0.00 H new ATOM 0 HB VAL A 65 9.236 -1.125 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.510 0.424 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.391 1.148 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.756 0.490 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.130 -2.051 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.386 -1.998 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.758 -3.088 2.977 1.00 0.00 H new ATOM 1018 N GLN A 66 9.118 0.983 0.211 1.00 0.00 N ATOM 1019 CA GLN A 66 10.027 2.092 -0.213 1.00 0.00 C ATOM 1020 C GLN A 66 9.202 3.370 -0.376 1.00 0.00 C ATOM 1021 O GLN A 66 8.014 3.319 -0.633 1.00 0.00 O ATOM 1022 CB GLN A 66 10.687 1.733 -1.548 1.00 0.00 C ATOM 1023 CG GLN A 66 9.617 1.297 -2.555 1.00 0.00 C ATOM 1024 CD GLN A 66 10.279 1.002 -3.903 1.00 0.00 C ATOM 1025 OE1 GLN A 66 9.774 1.389 -4.939 1.00 0.00 O ATOM 1026 NE2 GLN A 66 11.395 0.326 -3.935 1.00 0.00 N ATOM 0 H GLN A 66 8.145 1.094 -0.076 1.00 0.00 H new ATOM 0 HA GLN A 66 10.802 2.244 0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.236 2.591 -1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.411 0.931 -1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.098 0.411 -2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.868 2.081 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.819 0.001 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.843 0.123 -4.829 1.00 0.00 H new ATOM 1035 N GLU A 67 9.822 4.518 -0.238 1.00 0.00 N ATOM 1036 CA GLU A 67 9.086 5.819 -0.389 1.00 0.00 C ATOM 1037 C GLU A 67 9.441 6.431 -1.739 1.00 0.00 C ATOM 1038 O GLU A 67 10.581 6.759 -2.002 1.00 0.00 O ATOM 1039 CB GLU A 67 9.517 6.777 0.725 1.00 0.00 C ATOM 1040 CG GLU A 67 9.021 6.245 2.069 1.00 0.00 C ATOM 1041 CD GLU A 67 9.419 7.215 3.180 1.00 0.00 C ATOM 1042 OE1 GLU A 67 10.501 7.057 3.717 1.00 0.00 O ATOM 1043 OE2 GLU A 67 8.631 8.100 3.476 1.00 0.00 O ATOM 0 H GLU A 67 10.815 4.612 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 67 8.012 5.647 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.603 6.874 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.111 7.772 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.938 6.125 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.447 5.260 2.262 1.00 0.00 H new ATOM 1050 N SER A 68 8.471 6.602 -2.597 1.00 0.00 N ATOM 1051 CA SER A 68 8.743 7.209 -3.932 1.00 0.00 C ATOM 1052 C SER A 68 8.638 8.725 -3.805 1.00 0.00 C ATOM 1053 O SER A 68 7.928 9.241 -2.960 1.00 0.00 O ATOM 1054 CB SER A 68 7.713 6.694 -4.942 1.00 0.00 C ATOM 1055 OG SER A 68 8.063 5.372 -5.323 1.00 0.00 O ATOM 0 H SER A 68 7.498 6.346 -2.430 1.00 0.00 H new ATOM 0 HA SER A 68 9.741 6.938 -4.277 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.715 6.708 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.686 7.344 -5.817 1.00 0.00 H new ATOM 0 HG SER A 68 7.790 5.216 -6.251 1.00 0.00 H new ATOM 1061 N ARG A 69 9.341 9.445 -4.632 1.00 0.00 N ATOM 1062 CA ARG A 69 9.292 10.931 -4.562 1.00 0.00 C ATOM 1063 C ARG A 69 8.024 11.437 -5.257 1.00 0.00 C ATOM 1064 O ARG A 69 7.674 10.998 -6.333 1.00 0.00 O ATOM 1065 CB ARG A 69 10.545 11.495 -5.244 1.00 0.00 C ATOM 1066 CG ARG A 69 10.619 11.052 -6.727 1.00 0.00 C ATOM 1067 CD ARG A 69 11.963 11.529 -7.375 1.00 0.00 C ATOM 1068 NE ARG A 69 12.785 10.346 -7.827 1.00 0.00 N ATOM 1069 CZ ARG A 69 14.113 10.350 -7.775 1.00 0.00 C ATOM 1070 NH1 ARG A 69 14.768 11.309 -7.176 1.00 0.00 N ATOM 1071 NH2 ARG A 69 14.779 9.368 -8.312 1.00 0.00 N ATOM 0 H ARG A 69 9.950 9.066 -5.357 1.00 0.00 H new ATOM 0 HA ARG A 69 9.268 11.261 -3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.536 12.583 -5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.435 11.155 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.542 9.967 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.775 11.466 -7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.753 12.178 -8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.530 12.119 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 69 12.307 9.519 -8.183 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.260 12.076 -6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.787 11.291 -7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.281 8.603 -8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.798 9.364 -8.276 1.00 0.00 H new ATOM 1085 N ASN A 70 7.320 12.351 -4.641 1.00 0.00 N ATOM 1086 CA ASN A 70 6.066 12.886 -5.257 1.00 0.00 C ATOM 1087 C ASN A 70 5.853 14.329 -4.792 1.00 0.00 C ATOM 1088 O ASN A 70 5.279 14.580 -3.750 1.00 0.00 O ATOM 1089 CB ASN A 70 4.883 12.023 -4.822 1.00 0.00 C ATOM 1090 CG ASN A 70 3.610 12.503 -5.520 1.00 0.00 C ATOM 1091 OD1 ASN A 70 2.760 11.622 -5.972 1.00 0.00 O flip ATOM 1092 ND2 ASN A 70 3.388 13.688 -5.665 1.00 0.00 N flip ATOM 0 H ASN A 70 7.559 12.752 -3.734 1.00 0.00 H new ATOM 0 HA ASN A 70 6.148 12.864 -6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.073 10.978 -5.069 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.759 12.078 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.051 14.378 -5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.538 13.993 -6.139 1.00 0.00 H new ATOM 1099 N GLY A 71 6.316 15.282 -5.553 1.00 0.00 N ATOM 1100 CA GLY A 71 6.140 16.707 -5.152 1.00 0.00 C ATOM 1101 C GLY A 71 6.746 16.930 -3.765 1.00 0.00 C ATOM 1102 O GLY A 71 7.780 16.388 -3.433 1.00 0.00 O ATOM 0 H GLY A 71 6.808 15.136 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.621 17.362 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.081 16.964 -5.143 1.00 0.00 H new ATOM 1106 N SER A 72 6.107 17.733 -2.951 1.00 0.00 N ATOM 1107 CA SER A 72 6.635 18.007 -1.580 1.00 0.00 C ATOM 1108 C SER A 72 6.128 16.942 -0.604 1.00 0.00 C ATOM 1109 O SER A 72 6.543 16.898 0.539 1.00 0.00 O ATOM 1110 CB SER A 72 6.143 19.380 -1.115 1.00 0.00 C ATOM 1111 OG SER A 72 6.730 19.684 0.143 1.00 0.00 O ATOM 0 H SER A 72 5.237 18.213 -3.179 1.00 0.00 H new ATOM 0 HA SER A 72 7.725 17.988 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.408 20.142 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.056 19.382 -1.033 1.00 0.00 H new ATOM 0 HG SER A 72 6.949 18.852 0.612 1.00 0.00 H new ATOM 1117 N LYS A 73 5.226 16.085 -1.041 1.00 0.00 N ATOM 1118 CA LYS A 73 4.672 15.014 -0.139 1.00 0.00 C ATOM 1119 C LYS A 73 5.256 13.655 -0.531 1.00 0.00 C ATOM 1120 O LYS A 73 5.205 13.246 -1.676 1.00 0.00 O ATOM 1121 CB LYS A 73 3.145 14.975 -0.285 1.00 0.00 C ATOM 1122 CG LYS A 73 2.551 13.965 0.707 1.00 0.00 C ATOM 1123 CD LYS A 73 1.024 14.000 0.623 1.00 0.00 C ATOM 1124 CE LYS A 73 0.432 13.002 1.622 1.00 0.00 C ATOM 1125 NZ LYS A 73 -1.055 13.062 1.563 1.00 0.00 N ATOM 0 H LYS A 73 4.848 16.082 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 73 4.939 15.234 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.728 15.965 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.875 14.699 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.915 12.962 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.875 14.202 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.661 15.005 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.700 13.754 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.775 11.993 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.776 13.233 2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.457 12.384 2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.373 14.022 1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.374 12.821 0.603 1.00 0.00 H new ATOM 1139 N LEU A 74 5.802 12.948 0.422 1.00 0.00 N ATOM 1140 CA LEU A 74 6.381 11.604 0.129 1.00 0.00 C ATOM 1141 C LEU A 74 5.234 10.606 -0.054 1.00 0.00 C ATOM 1142 O LEU A 74 4.307 10.573 0.727 1.00 0.00 O ATOM 1143 CB LEU A 74 7.261 11.156 1.309 1.00 0.00 C ATOM 1144 CG LEU A 74 8.556 12.002 1.383 1.00 0.00 C ATOM 1145 CD1 LEU A 74 9.213 11.801 2.758 1.00 0.00 C ATOM 1146 CD2 LEU A 74 9.560 11.572 0.282 1.00 0.00 C ATOM 0 H LEU A 74 5.872 13.245 1.395 1.00 0.00 H new ATOM 0 HA LEU A 74 6.987 11.649 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.704 11.253 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.516 10.102 1.199 1.00 0.00 H new ATOM 0 HG LEU A 74 8.294 13.049 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.125 12.395 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.524 12.118 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.456 10.747 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.462 12.180 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.819 10.522 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.106 11.711 -0.699 1.00 0.00 H new ATOM 1158 N HIS A 75 5.295 9.797 -1.089 1.00 0.00 N ATOM 1159 CA HIS A 75 4.214 8.789 -1.354 1.00 0.00 C ATOM 1160 C HIS A 75 4.757 7.402 -1.012 1.00 0.00 C ATOM 1161 O HIS A 75 5.730 6.945 -1.580 1.00 0.00 O ATOM 1162 CB HIS A 75 3.825 8.845 -2.848 1.00 0.00 C ATOM 1163 CG HIS A 75 2.850 9.971 -3.086 1.00 0.00 C ATOM 1164 ND1 HIS A 75 2.923 11.171 -2.401 1.00 0.00 N ATOM 1165 CD2 HIS A 75 1.768 10.084 -3.925 1.00 0.00 C ATOM 1166 CE1 HIS A 75 1.913 11.948 -2.833 1.00 0.00 C ATOM 1167 NE2 HIS A 75 1.178 11.333 -3.764 1.00 0.00 N ATOM 0 H HIS A 75 6.056 9.792 -1.768 1.00 0.00 H new ATOM 0 HA HIS A 75 3.334 9.003 -0.748 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.716 8.989 -3.459 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.380 7.898 -3.152 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.427 9.319 -4.607 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.720 12.947 -2.471 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.361 11.700 -4.251 1.00 0.00 H new ATOM 1175 N SER A 76 4.127 6.728 -0.091 1.00 0.00 N ATOM 1176 CA SER A 76 4.592 5.366 0.292 1.00 0.00 C ATOM 1177 C SER A 76 4.199 4.373 -0.801 1.00 0.00 C ATOM 1178 O SER A 76 3.169 4.508 -1.432 1.00 0.00 O ATOM 1179 CB SER A 76 3.929 4.953 1.604 1.00 0.00 C ATOM 1180 OG SER A 76 4.348 5.832 2.639 1.00 0.00 O ATOM 0 H SER A 76 3.307 7.063 0.415 1.00 0.00 H new ATOM 0 HA SER A 76 5.675 5.372 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.844 4.984 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.197 3.926 1.853 1.00 0.00 H new ATOM 0 HG SER A 76 3.923 5.571 3.482 1.00 0.00 H new ATOM 1186 N GLU A 77 5.011 3.369 -1.027 1.00 0.00 N ATOM 1187 CA GLU A 77 4.695 2.342 -2.077 1.00 0.00 C ATOM 1188 C GLU A 77 5.123 0.970 -1.571 1.00 0.00 C ATOM 1189 O GLU A 77 6.053 0.841 -0.801 1.00 0.00 O ATOM 1190 CB GLU A 77 5.456 2.657 -3.370 1.00 0.00 C ATOM 1191 CG GLU A 77 4.888 3.925 -4.007 1.00 0.00 C ATOM 1192 CD GLU A 77 5.652 4.245 -5.296 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.551 3.494 -5.640 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.323 5.240 -5.919 1.00 0.00 O ATOM 0 H GLU A 77 5.886 3.213 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 77 3.624 2.354 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.516 2.790 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.373 1.821 -4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.829 3.790 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.966 4.760 -3.310 1.00 0.00 H new ATOM 1201 N ILE A 78 4.442 -0.058 -2.005 1.00 0.00 N ATOM 1202 CA ILE A 78 4.785 -1.449 -1.572 1.00 0.00 C ATOM 1203 C ILE A 78 4.658 -2.395 -2.760 1.00 0.00 C ATOM 1204 O ILE A 78 3.954 -2.126 -3.712 1.00 0.00 O ATOM 1205 CB ILE A 78 3.830 -1.872 -0.451 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.369 -1.779 -0.932 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.021 -0.947 0.754 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.432 -2.324 0.151 1.00 0.00 C ATOM 0 H ILE A 78 3.653 0.006 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 78 5.810 -1.485 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 78 4.049 -2.902 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.116 -0.743 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.243 -2.346 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.343 -1.246 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.050 -1.017 1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.806 0.081 0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.400 -2.256 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.679 -3.366 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.550 -1.738 1.062 1.00 0.00 H new ATOM 1220 N ARG A 79 5.329 -3.510 -2.708 1.00 0.00 N ATOM 1221 CA ARG A 79 5.258 -4.498 -3.827 1.00 0.00 C ATOM 1222 C ARG A 79 5.436 -5.896 -3.242 1.00 0.00 C ATOM 1223 O ARG A 79 6.116 -6.082 -2.253 1.00 0.00 O ATOM 1224 CB ARG A 79 6.371 -4.197 -4.825 1.00 0.00 C ATOM 1225 CG ARG A 79 6.241 -5.087 -6.065 1.00 0.00 C ATOM 1226 CD ARG A 79 7.436 -4.818 -6.983 1.00 0.00 C ATOM 1227 NE ARG A 79 8.688 -5.197 -6.246 1.00 0.00 N ATOM 1228 CZ ARG A 79 9.256 -6.374 -6.396 1.00 0.00 C ATOM 1229 NH1 ARG A 79 8.954 -7.154 -7.402 1.00 0.00 N ATOM 1230 NH2 ARG A 79 10.191 -6.738 -5.564 1.00 0.00 N ATOM 0 H ARG A 79 5.931 -3.785 -1.932 1.00 0.00 H new ATOM 0 HA ARG A 79 4.298 -4.436 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.330 -3.148 -5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.341 -4.359 -4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.214 -6.138 -5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.307 -4.876 -6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.347 -5.396 -7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.467 -3.767 -7.269 1.00 0.00 H new ATOM 0 HE ARG A 79 9.111 -4.521 -5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.265 -6.854 -8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.408 -8.062 -7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.473 -6.113 -4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.640 -7.648 -5.668 1.00 0.00 H new ATOM 1244 N LEU A 80 4.815 -6.882 -3.825 1.00 0.00 N ATOM 1245 CA LEU A 80 4.937 -8.266 -3.276 1.00 0.00 C ATOM 1246 C LEU A 80 6.269 -8.880 -3.740 1.00 0.00 C ATOM 1247 O LEU A 80 6.466 -9.166 -4.906 1.00 0.00 O ATOM 1248 CB LEU A 80 3.736 -9.104 -3.777 1.00 0.00 C ATOM 1249 CG LEU A 80 3.428 -10.274 -2.812 1.00 0.00 C ATOM 1250 CD1 LEU A 80 4.691 -11.136 -2.616 1.00 0.00 C ATOM 1251 CD2 LEU A 80 2.917 -9.742 -1.437 1.00 0.00 C ATOM 0 H LEU A 80 4.229 -6.793 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 80 4.928 -8.251 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.858 -8.465 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.952 -9.496 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 80 2.641 -10.887 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.468 -11.958 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.011 -11.537 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.488 -10.523 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.707 -10.583 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.680 -9.108 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.006 -9.163 -1.587 1.00 0.00 H new ATOM 1263 N ARG A 81 7.185 -9.072 -2.822 1.00 0.00 N ATOM 1264 CA ARG A 81 8.516 -9.651 -3.175 1.00 0.00 C ATOM 1265 C ARG A 81 8.326 -10.988 -3.902 1.00 0.00 C ATOM 1266 O ARG A 81 8.177 -11.027 -5.109 1.00 0.00 O ATOM 1267 CB ARG A 81 9.329 -9.846 -1.882 1.00 0.00 C ATOM 1268 CG ARG A 81 10.715 -10.440 -2.196 1.00 0.00 C ATOM 1269 CD ARG A 81 11.581 -10.473 -0.921 1.00 0.00 C ATOM 1270 NE ARG A 81 12.078 -9.094 -0.614 1.00 0.00 N ATOM 1271 CZ ARG A 81 12.479 -8.780 0.597 1.00 0.00 C ATOM 1272 NH1 ARG A 81 12.375 -9.644 1.575 1.00 0.00 N ATOM 1273 NH2 ARG A 81 12.972 -7.593 0.828 1.00 0.00 N ATOM 0 H ARG A 81 7.064 -8.850 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 81 9.054 -8.976 -3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.445 -8.890 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.790 -10.507 -1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.605 -11.448 -2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.208 -9.845 -2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.998 -10.855 -0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.423 -11.151 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 81 12.105 -8.391 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.981 -10.568 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.688 -9.393 2.513 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.044 -6.914 0.070 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.285 -7.344 1.767 1.00 0.00 H new