USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 506 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 14 SER OG : rot 180:sc= -0.903 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.9,f=-2.1!) USER MOD Single : A 11 CYS SG : rot -169:sc= -6.63! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.76 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 32 SER OG : rot 180:sc= -0.596 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.471) USER MOD Single : A 51 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.49 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.685 -4.365 -9.776 1.00 0.00 N ATOM 102 CA ASP A 7 90.972 -5.069 -8.486 1.00 0.00 C ATOM 103 C ASP A 7 90.030 -4.564 -7.389 1.00 0.00 C ATOM 104 O ASP A 7 89.741 -5.275 -6.442 1.00 0.00 O ATOM 105 CB ASP A 7 92.428 -4.735 -8.147 1.00 0.00 C ATOM 106 CG ASP A 7 92.874 -5.563 -6.941 1.00 0.00 C ATOM 107 OD1 ASP A 7 92.707 -5.090 -5.828 1.00 0.00 O ATOM 108 OD2 ASP A 7 93.374 -6.656 -7.149 1.00 0.00 O ATOM 0 HA ASP A 7 90.820 -6.145 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 7 93.069 -4.945 -9.003 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.527 -3.672 -7.928 1.00 0.00 H new ATOM 113 N TRP A 8 89.551 -3.345 -7.507 1.00 0.00 N ATOM 114 CA TRP A 8 88.651 -2.785 -6.452 1.00 0.00 C ATOM 115 C TRP A 8 87.236 -3.363 -6.564 1.00 0.00 C ATOM 116 O TRP A 8 86.446 -3.225 -5.652 1.00 0.00 O ATOM 117 CB TRP A 8 88.623 -1.273 -6.671 1.00 0.00 C ATOM 118 CG TRP A 8 89.685 -0.528 -5.920 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.378 0.526 -6.418 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.185 -0.747 -4.562 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.276 0.976 -5.465 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.213 0.235 -4.305 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.869 -1.691 -3.513 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.909 0.283 -3.059 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.568 -1.645 -2.258 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.587 -0.661 -2.034 1.00 0.00 C ATOM 0 H TRP A 8 89.746 -2.718 -8.287 1.00 0.00 H new ATOM 0 HA TRP A 8 89.017 -3.042 -5.458 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.734 -1.068 -7.736 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.646 -0.891 -6.373 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.250 0.948 -7.404 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.909 1.763 -5.605 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.103 -2.435 -3.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.674 1.027 -2.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.325 -2.354 -1.481 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.112 -0.633 -1.090 1.00 0.00 H new ATOM 137 N ILE A 9 86.894 -4.011 -7.657 1.00 0.00 N ATOM 138 CA ILE A 9 85.475 -4.469 -7.840 1.00 0.00 C ATOM 139 C ILE A 9 85.060 -5.376 -6.668 1.00 0.00 C ATOM 140 O ILE A 9 85.771 -6.290 -6.295 1.00 0.00 O ATOM 141 CB ILE A 9 85.446 -5.241 -9.173 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.875 -4.325 -10.338 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.028 -5.763 -9.440 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.956 -3.097 -10.426 1.00 0.00 C ATOM 0 H ILE A 9 87.528 -4.240 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 9 84.776 -3.633 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 9 86.141 -6.077 -9.102 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.907 -4.004 -10.195 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.841 -4.880 -11.276 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.013 -6.308 -10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.727 -6.429 -8.631 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.335 -4.923 -9.495 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.274 -2.463 -11.253 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.929 -3.422 -10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 9 85.012 -2.533 -9.495 1.00 0.00 H new ATOM 156 N GLY A 10 83.911 -5.116 -6.095 1.00 0.00 N ATOM 157 CA GLY A 10 83.439 -5.924 -4.931 1.00 0.00 C ATOM 158 C GLY A 10 84.012 -5.408 -3.599 1.00 0.00 C ATOM 159 O GLY A 10 83.708 -5.957 -2.555 1.00 0.00 O ATOM 0 H GLY A 10 83.276 -4.373 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.350 -5.899 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.729 -6.965 -5.071 1.00 0.00 H new ATOM 163 N CYS A 11 84.833 -4.369 -3.609 1.00 0.00 N ATOM 164 CA CYS A 11 85.365 -3.832 -2.309 1.00 0.00 C ATOM 165 C CYS A 11 84.339 -2.882 -1.660 1.00 0.00 C ATOM 166 O CYS A 11 83.509 -2.307 -2.338 1.00 0.00 O ATOM 167 CB CYS A 11 86.717 -3.140 -2.642 1.00 0.00 C ATOM 168 SG CYS A 11 86.515 -1.472 -3.351 1.00 0.00 S ATOM 0 H CYS A 11 85.150 -3.881 -4.447 1.00 0.00 H new ATOM 0 HA CYS A 11 85.532 -4.619 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.316 -3.072 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.273 -3.761 -3.344 1.00 0.00 H new ATOM 0 HG CYS A 11 87.657 -1.056 -3.813 1.00 0.00 H new ATOM 174 N ALA A 12 84.398 -2.725 -0.361 1.00 0.00 N ATOM 175 CA ALA A 12 83.372 -1.901 0.350 1.00 0.00 C ATOM 176 C ALA A 12 83.828 -0.442 0.430 1.00 0.00 C ATOM 177 O ALA A 12 84.863 -0.148 0.997 1.00 0.00 O ATOM 178 CB ALA A 12 83.282 -2.510 1.750 1.00 0.00 C ATOM 0 H ALA A 12 85.114 -3.133 0.239 1.00 0.00 H new ATOM 0 HA ALA A 12 82.410 -1.905 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.547 -1.961 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.979 -3.554 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.256 -2.450 2.236 1.00 0.00 H new ATOM 184 N VAL A 13 83.064 0.469 -0.127 1.00 0.00 N ATOM 185 CA VAL A 13 83.475 1.908 -0.114 1.00 0.00 C ATOM 186 C VAL A 13 82.286 2.807 0.246 1.00 0.00 C ATOM 187 O VAL A 13 81.140 2.412 0.132 1.00 0.00 O ATOM 188 CB VAL A 13 83.975 2.203 -1.535 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.162 1.296 -1.856 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.856 1.945 -2.552 1.00 0.00 C ATOM 0 H VAL A 13 82.175 0.277 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 13 84.246 2.103 0.631 1.00 0.00 H new ATOM 0 HB VAL A 13 84.280 3.248 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.517 1.505 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.965 1.482 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.852 0.253 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.221 2.157 -3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.543 0.902 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.007 2.592 -2.331 1.00 0.00 H new ATOM 200 N SER A 14 82.562 4.014 0.678 1.00 0.00 N ATOM 201 CA SER A 14 81.468 4.985 0.971 1.00 0.00 C ATOM 202 C SER A 14 81.702 6.271 0.184 1.00 0.00 C ATOM 203 O SER A 14 82.825 6.718 0.038 1.00 0.00 O ATOM 204 CB SER A 14 81.552 5.244 2.474 1.00 0.00 C ATOM 205 OG SER A 14 80.690 6.323 2.814 1.00 0.00 O ATOM 0 H SER A 14 83.505 4.368 0.840 1.00 0.00 H new ATOM 0 HA SER A 14 80.485 4.608 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.267 4.348 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.578 5.480 2.757 1.00 0.00 H new ATOM 0 HG SER A 14 80.740 6.491 3.778 1.00 0.00 H new ATOM 211 N ILE A 15 80.651 6.867 -0.322 1.00 0.00 N ATOM 212 CA ILE A 15 80.816 8.044 -1.228 1.00 0.00 C ATOM 213 C ILE A 15 80.069 9.249 -0.660 1.00 0.00 C ATOM 214 O ILE A 15 78.875 9.190 -0.427 1.00 0.00 O ATOM 215 CB ILE A 15 80.197 7.635 -2.579 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.723 6.260 -3.058 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.548 8.695 -3.630 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.256 6.234 -3.078 1.00 0.00 C ATOM 0 H ILE A 15 79.686 6.589 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 15 81.865 8.321 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 15 79.118 7.559 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.351 5.475 -2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.339 6.047 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.114 8.414 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.149 9.661 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.631 8.765 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.599 5.257 -3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.624 7.004 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.636 6.423 -2.074 1.00 0.00 H new ATOM 230 N ALA A 16 80.766 10.334 -0.440 1.00 0.00 N ATOM 231 CA ALA A 16 80.097 11.580 0.033 1.00 0.00 C ATOM 232 C ALA A 16 79.850 12.508 -1.156 1.00 0.00 C ATOM 233 O ALA A 16 80.775 13.064 -1.722 1.00 0.00 O ATOM 234 CB ALA A 16 81.082 12.213 1.016 1.00 0.00 C ATOM 0 H ALA A 16 81.775 10.409 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 16 79.132 11.388 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.660 13.138 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.270 11.522 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.019 12.431 0.503 1.00 0.00 H new ATOM 240 N CYS A 17 78.610 12.669 -1.535 1.00 0.00 N ATOM 241 CA CYS A 17 78.266 13.581 -2.667 1.00 0.00 C ATOM 242 C CYS A 17 77.831 14.938 -2.116 1.00 0.00 C ATOM 243 O CYS A 17 77.575 15.079 -0.934 1.00 0.00 O ATOM 244 CB CYS A 17 77.102 12.912 -3.410 1.00 0.00 C ATOM 245 SG CYS A 17 77.566 11.243 -3.956 1.00 0.00 S ATOM 0 H CYS A 17 77.812 12.203 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 17 79.115 13.746 -3.330 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.230 12.858 -2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.818 13.516 -4.272 1.00 0.00 H new ATOM 0 HG CYS A 17 76.565 10.696 -4.580 1.00 0.00 H new ATOM 251 N ASP A 18 77.746 15.940 -2.960 1.00 0.00 N ATOM 252 CA ASP A 18 77.336 17.304 -2.483 1.00 0.00 C ATOM 253 C ASP A 18 75.963 17.236 -1.795 1.00 0.00 C ATOM 254 O ASP A 18 75.260 16.250 -1.890 1.00 0.00 O ATOM 255 CB ASP A 18 77.274 18.182 -3.734 1.00 0.00 C ATOM 256 CG ASP A 18 78.666 18.293 -4.354 1.00 0.00 C ATOM 257 OD1 ASP A 18 79.495 18.976 -3.778 1.00 0.00 O ATOM 258 OD2 ASP A 18 78.880 17.690 -5.393 1.00 0.00 O ATOM 0 H ASP A 18 77.942 15.874 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 18 78.038 17.706 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 18 76.577 17.755 -4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 18 76.900 19.173 -3.477 1.00 0.00 H new ATOM 263 N GLU A 19 75.586 18.283 -1.106 1.00 0.00 N ATOM 264 CA GLU A 19 74.428 18.196 -0.152 1.00 0.00 C ATOM 265 C GLU A 19 73.163 17.672 -0.843 1.00 0.00 C ATOM 266 O GLU A 19 72.369 16.974 -0.236 1.00 0.00 O ATOM 267 CB GLU A 19 74.202 19.628 0.340 1.00 0.00 C ATOM 268 CG GLU A 19 75.419 20.090 1.153 1.00 0.00 C ATOM 269 CD GLU A 19 75.182 21.499 1.719 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.320 22.199 1.205 1.00 0.00 O ATOM 271 OE2 GLU A 19 75.870 21.855 2.661 1.00 0.00 O ATOM 0 H GLU A 19 76.029 19.200 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 19 74.643 17.503 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.044 20.294 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.303 19.675 0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.607 19.391 1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.308 20.090 0.522 1.00 0.00 H new ATOM 278 N VAL A 20 72.969 17.997 -2.098 1.00 0.00 N ATOM 279 CA VAL A 20 71.716 17.570 -2.801 1.00 0.00 C ATOM 280 C VAL A 20 71.777 16.069 -3.125 1.00 0.00 C ATOM 281 O VAL A 20 70.757 15.418 -3.260 1.00 0.00 O ATOM 282 CB VAL A 20 71.666 18.409 -4.086 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.419 18.047 -4.900 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.616 19.896 -3.725 1.00 0.00 C ATOM 0 H VAL A 20 73.621 18.538 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 20 70.826 17.723 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 20 72.557 18.202 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.392 18.647 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.451 16.990 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.527 18.247 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.581 20.491 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 20 70.727 20.096 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.505 20.162 -3.153 1.00 0.00 H new ATOM 294 N LEU A 21 72.962 15.522 -3.249 1.00 0.00 N ATOM 295 CA LEU A 21 73.101 14.062 -3.533 1.00 0.00 C ATOM 296 C LEU A 21 73.189 13.243 -2.233 1.00 0.00 C ATOM 297 O LEU A 21 72.997 12.041 -2.243 1.00 0.00 O ATOM 298 CB LEU A 21 74.402 13.959 -4.323 1.00 0.00 C ATOM 299 CG LEU A 21 74.235 14.644 -5.682 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.577 14.648 -6.418 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.204 13.883 -6.519 1.00 0.00 C ATOM 0 H LEU A 21 73.843 16.029 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 21 72.243 13.665 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.215 14.426 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.672 12.912 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 21 73.895 15.668 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.460 15.135 -7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.315 15.189 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 21 75.913 13.622 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.087 14.373 -7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.543 12.858 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.247 13.875 -5.998 1.00 0.00 H new ATOM 313 N GLY A 22 73.478 13.881 -1.119 1.00 0.00 N ATOM 314 CA GLY A 22 73.564 13.144 0.179 1.00 0.00 C ATOM 315 C GLY A 22 74.723 12.142 0.145 1.00 0.00 C ATOM 316 O GLY A 22 75.696 12.324 -0.565 1.00 0.00 O ATOM 0 H GLY A 22 73.658 14.883 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.708 13.850 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.627 12.621 0.371 1.00 0.00 H new ATOM 320 N VAL A 23 74.623 11.084 0.913 1.00 0.00 N ATOM 321 CA VAL A 23 75.748 10.097 0.999 1.00 0.00 C ATOM 322 C VAL A 23 75.208 8.676 0.828 1.00 0.00 C ATOM 323 O VAL A 23 74.171 8.337 1.371 1.00 0.00 O ATOM 324 CB VAL A 23 76.341 10.266 2.406 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.547 9.331 2.576 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.788 11.717 2.611 1.00 0.00 C ATOM 0 H VAL A 23 73.809 10.860 1.486 1.00 0.00 H new ATOM 0 HA VAL A 23 76.494 10.264 0.222 1.00 0.00 H new ATOM 0 HB VAL A 23 75.580 10.015 3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.965 9.454 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.228 8.298 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.306 9.577 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.208 11.831 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.544 11.973 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.931 12.381 2.500 1.00 0.00 H new ATOM 336 N PHE A 24 75.905 7.847 0.084 1.00 0.00 N ATOM 337 CA PHE A 24 75.499 6.412 -0.010 1.00 0.00 C ATOM 338 C PHE A 24 76.704 5.500 0.240 1.00 0.00 C ATOM 339 O PHE A 24 77.840 5.903 0.092 1.00 0.00 O ATOM 340 CB PHE A 24 74.947 6.201 -1.429 1.00 0.00 C ATOM 341 CG PHE A 24 75.979 6.323 -2.531 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.724 5.164 -2.929 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.235 7.589 -3.158 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.716 5.266 -3.960 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.230 7.691 -4.185 1.00 0.00 C ATOM 346 CZ PHE A 24 77.969 6.530 -4.589 1.00 0.00 C ATOM 0 H PHE A 24 76.731 8.102 -0.457 1.00 0.00 H new ATOM 0 HA PHE A 24 74.747 6.167 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.491 5.213 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.155 6.928 -1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.538 4.213 -2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.678 8.464 -2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.272 4.391 -4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.423 8.644 -4.655 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.715 6.607 -5.366 1.00 0.00 H new ATOM 356 N GLN A 25 76.451 4.275 0.617 1.00 0.00 N ATOM 357 CA GLN A 25 77.555 3.290 0.813 1.00 0.00 C ATOM 358 C GLN A 25 77.157 1.951 0.189 1.00 0.00 C ATOM 359 O GLN A 25 75.993 1.589 0.183 1.00 0.00 O ATOM 360 CB GLN A 25 77.709 3.163 2.330 1.00 0.00 C ATOM 361 CG GLN A 25 78.113 4.521 2.912 1.00 0.00 C ATOM 362 CD GLN A 25 78.241 4.426 4.436 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.273 3.347 4.996 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.313 5.526 5.137 1.00 0.00 N ATOM 0 H GLN A 25 75.516 3.911 0.800 1.00 0.00 H new ATOM 0 HA GLN A 25 78.489 3.600 0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.773 2.827 2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.463 2.413 2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 25 79.060 4.843 2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.370 5.274 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.286 6.432 4.669 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.396 5.479 6.153 1.00 0.00 H new ATOM 373 N GLY A 26 78.109 1.220 -0.338 1.00 0.00 N ATOM 374 CA GLY A 26 77.775 -0.052 -1.048 1.00 0.00 C ATOM 375 C GLY A 26 79.058 -0.757 -1.485 1.00 0.00 C ATOM 376 O GLY A 26 80.139 -0.200 -1.414 1.00 0.00 O ATOM 0 H GLY A 26 79.102 1.450 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.197 -0.703 -0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.152 0.159 -1.917 1.00 0.00 H new ATOM 380 N LEU A 27 78.942 -1.983 -1.931 1.00 0.00 N ATOM 381 CA LEU A 27 80.116 -2.682 -2.531 1.00 0.00 C ATOM 382 C LEU A 27 80.171 -2.418 -4.036 1.00 0.00 C ATOM 383 O LEU A 27 79.171 -2.476 -4.726 1.00 0.00 O ATOM 384 CB LEU A 27 79.886 -4.169 -2.253 1.00 0.00 C ATOM 385 CG LEU A 27 79.964 -4.427 -0.747 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.408 -5.819 -0.440 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.426 -4.349 -0.292 1.00 0.00 C ATOM 0 H LEU A 27 78.082 -2.530 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 27 81.060 -2.335 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.912 -4.474 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.634 -4.767 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 27 79.378 -3.676 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.463 -6.004 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.369 -5.876 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.995 -6.570 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.483 -4.533 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 27 82.012 -5.101 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.823 -3.358 -0.512 1.00 0.00 H new ATOM 399 N ILE A 28 81.341 -2.130 -4.539 1.00 0.00 N ATOM 400 CA ILE A 28 81.486 -1.771 -5.987 1.00 0.00 C ATOM 401 C ILE A 28 81.180 -2.984 -6.874 1.00 0.00 C ATOM 402 O ILE A 28 81.593 -4.092 -6.593 1.00 0.00 O ATOM 403 CB ILE A 28 82.954 -1.334 -6.142 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.216 -0.111 -5.250 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.256 -0.978 -7.607 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.702 0.255 -5.297 1.00 0.00 C ATOM 0 H ILE A 28 82.212 -2.127 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 28 80.794 -0.985 -6.289 1.00 0.00 H new ATOM 0 HB ILE A 28 83.603 -2.157 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.613 0.732 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.917 -0.327 -4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.298 -0.671 -7.700 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.077 -1.849 -8.237 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.608 -0.161 -7.924 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.883 1.123 -4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.295 -0.586 -4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 28 84.987 0.489 -6.323 1.00 0.00 H new ATOM 418 N LYS A 29 80.449 -2.772 -7.941 1.00 0.00 N ATOM 419 CA LYS A 29 80.261 -3.848 -8.959 1.00 0.00 C ATOM 420 C LYS A 29 81.073 -3.529 -10.219 1.00 0.00 C ATOM 421 O LYS A 29 81.479 -4.420 -10.942 1.00 0.00 O ATOM 422 CB LYS A 29 78.765 -3.850 -9.274 1.00 0.00 C ATOM 423 CG LYS A 29 78.451 -4.982 -10.255 1.00 0.00 C ATOM 424 CD LYS A 29 76.979 -4.910 -10.668 1.00 0.00 C ATOM 425 CE LYS A 29 76.636 -6.116 -11.545 1.00 0.00 C ATOM 426 NZ LYS A 29 75.263 -6.516 -11.125 1.00 0.00 N ATOM 0 H LYS A 29 79.973 -1.895 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 29 80.599 -4.819 -8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.190 -3.979 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.471 -2.892 -9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.090 -4.902 -11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.663 -5.946 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.342 -4.897 -9.783 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.788 -3.985 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.666 -5.856 -12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.347 -6.928 -11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.956 -7.339 -11.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.267 -6.764 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.607 -5.725 -11.285 1.00 0.00 H new ATOM 440 N GLN A 30 81.310 -2.264 -10.482 1.00 0.00 N ATOM 441 CA GLN A 30 82.092 -1.879 -11.697 1.00 0.00 C ATOM 442 C GLN A 30 82.679 -0.479 -11.514 1.00 0.00 C ATOM 443 O GLN A 30 82.116 0.349 -10.823 1.00 0.00 O ATOM 444 CB GLN A 30 81.081 -1.898 -12.846 1.00 0.00 C ATOM 445 CG GLN A 30 81.806 -1.640 -14.167 1.00 0.00 C ATOM 446 CD GLN A 30 80.781 -1.515 -15.296 1.00 0.00 C ATOM 447 OE1 GLN A 30 79.921 -0.658 -15.258 1.00 0.00 O ATOM 448 NE2 GLN A 30 80.838 -2.340 -16.306 1.00 0.00 N ATOM 0 H GLN A 30 80.995 -1.483 -9.906 1.00 0.00 H new ATOM 0 HA GLN A 30 82.927 -2.553 -11.887 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.572 -2.861 -12.880 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.316 -1.138 -12.684 1.00 0.00 H new ATOM 0 HG2 GLN A 30 82.398 -0.728 -14.097 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.499 -2.454 -14.379 1.00 0.00 H new ATOM 0 HE21 GLN A 30 81.561 -3.059 -16.337 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.160 -2.265 -17.064 1.00 0.00 H new ATOM 457 N ILE A 31 83.807 -0.210 -12.128 1.00 0.00 N ATOM 458 CA ILE A 31 84.465 1.121 -11.950 1.00 0.00 C ATOM 459 C ILE A 31 85.015 1.617 -13.290 1.00 0.00 C ATOM 460 O ILE A 31 85.588 0.865 -14.057 1.00 0.00 O ATOM 461 CB ILE A 31 85.601 0.900 -10.937 1.00 0.00 C ATOM 462 CG1 ILE A 31 85.020 0.360 -9.622 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.315 2.233 -10.669 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.145 0.071 -8.623 1.00 0.00 C ATOM 0 H ILE A 31 84.300 -0.856 -12.745 1.00 0.00 H new ATOM 0 HA ILE A 31 83.765 1.876 -11.593 1.00 0.00 H new ATOM 0 HB ILE A 31 86.312 0.180 -11.343 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.326 1.085 -9.198 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.452 -0.550 -9.814 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.120 2.077 -9.951 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.729 2.618 -11.601 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.603 2.952 -10.265 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.719 -0.311 -7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.823 -0.671 -9.044 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.695 0.990 -8.418 1.00 0.00 H new ATOM 476 N SER A 32 84.838 2.883 -13.567 1.00 0.00 N ATOM 477 CA SER A 32 85.446 3.488 -14.788 1.00 0.00 C ATOM 478 C SER A 32 85.825 4.941 -14.501 1.00 0.00 C ATOM 479 O SER A 32 85.287 5.563 -13.606 1.00 0.00 O ATOM 480 CB SER A 32 84.361 3.415 -15.859 1.00 0.00 C ATOM 481 OG SER A 32 83.273 4.251 -15.485 1.00 0.00 O ATOM 0 H SER A 32 84.294 3.528 -12.994 1.00 0.00 H new ATOM 0 HA SER A 32 86.352 2.971 -15.105 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.763 3.731 -16.822 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.020 2.387 -15.978 1.00 0.00 H new ATOM 0 HG SER A 32 82.575 4.207 -16.172 1.00 0.00 H new ATOM 487 N ALA A 33 86.739 5.487 -15.261 1.00 0.00 N ATOM 488 CA ALA A 33 87.310 6.834 -14.921 1.00 0.00 C ATOM 489 C ALA A 33 86.204 7.892 -14.787 1.00 0.00 C ATOM 490 O ALA A 33 86.384 8.896 -14.121 1.00 0.00 O ATOM 491 CB ALA A 33 88.239 7.186 -16.085 1.00 0.00 C ATOM 0 H ALA A 33 87.118 5.060 -16.106 1.00 0.00 H new ATOM 0 HA ALA A 33 87.834 6.811 -13.965 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.694 8.160 -15.906 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.020 6.431 -16.168 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.666 7.218 -17.011 1.00 0.00 H new ATOM 497 N GLU A 34 85.069 7.678 -15.410 1.00 0.00 N ATOM 498 CA GLU A 34 84.006 8.731 -15.426 1.00 0.00 C ATOM 499 C GLU A 34 83.025 8.545 -14.261 1.00 0.00 C ATOM 500 O GLU A 34 82.407 9.495 -13.813 1.00 0.00 O ATOM 501 CB GLU A 34 83.291 8.555 -16.767 1.00 0.00 C ATOM 502 CG GLU A 34 84.263 8.854 -17.915 1.00 0.00 C ATOM 503 CD GLU A 34 84.718 10.321 -17.861 1.00 0.00 C ATOM 504 OE1 GLU A 34 84.005 11.131 -17.287 1.00 0.00 O ATOM 505 OE2 GLU A 34 85.775 10.608 -18.398 1.00 0.00 O ATOM 0 H GLU A 34 84.834 6.819 -15.908 1.00 0.00 H new ATOM 0 HA GLU A 34 84.427 9.730 -15.313 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.910 7.538 -16.856 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.432 9.223 -16.822 1.00 0.00 H new ATOM 0 HG2 GLU A 34 85.129 8.195 -17.848 1.00 0.00 H new ATOM 0 HG3 GLU A 34 83.781 8.651 -18.871 1.00 0.00 H new ATOM 512 N GLU A 35 82.875 7.337 -13.766 1.00 0.00 N ATOM 513 CA GLU A 35 81.814 7.068 -12.744 1.00 0.00 C ATOM 514 C GLU A 35 82.160 5.836 -11.899 1.00 0.00 C ATOM 515 O GLU A 35 82.938 4.992 -12.301 1.00 0.00 O ATOM 516 CB GLU A 35 80.528 6.840 -13.550 1.00 0.00 C ATOM 517 CG GLU A 35 80.706 5.651 -14.500 1.00 0.00 C ATOM 518 CD GLU A 35 79.466 5.516 -15.386 1.00 0.00 C ATOM 519 OE1 GLU A 35 79.091 6.502 -15.999 1.00 0.00 O ATOM 520 OE2 GLU A 35 78.914 4.430 -15.437 1.00 0.00 O ATOM 0 H GLU A 35 83.441 6.529 -14.026 1.00 0.00 H new ATOM 0 HA GLU A 35 81.711 7.895 -12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.694 6.653 -12.874 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.282 7.737 -14.119 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.593 5.794 -15.117 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.860 4.735 -13.929 1.00 0.00 H new ATOM 527 N ILE A 36 81.582 5.736 -10.727 1.00 0.00 N ATOM 528 CA ILE A 36 81.724 4.492 -9.908 1.00 0.00 C ATOM 529 C ILE A 36 80.359 3.804 -9.784 1.00 0.00 C ATOM 530 O ILE A 36 79.348 4.462 -9.610 1.00 0.00 O ATOM 531 CB ILE A 36 82.208 4.963 -8.527 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.511 5.779 -8.657 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.454 3.747 -7.632 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.609 4.940 -9.322 1.00 0.00 C ATOM 0 H ILE A 36 81.014 6.468 -10.300 1.00 0.00 H new ATOM 0 HA ILE A 36 82.417 3.779 -10.355 1.00 0.00 H new ATOM 0 HB ILE A 36 81.441 5.599 -8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.326 6.678 -9.245 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.842 6.105 -7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.797 4.080 -6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.527 3.184 -7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.213 3.109 -8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.520 5.533 -9.405 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.806 4.054 -8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.282 4.636 -10.316 1.00 0.00 H new ATOM 546 N THR A 37 80.320 2.492 -9.873 1.00 0.00 N ATOM 547 CA THR A 37 79.009 1.772 -9.823 1.00 0.00 C ATOM 548 C THR A 37 78.996 0.760 -8.669 1.00 0.00 C ATOM 549 O THR A 37 79.908 -0.033 -8.524 1.00 0.00 O ATOM 550 CB THR A 37 78.910 1.047 -11.166 1.00 0.00 C ATOM 551 OG1 THR A 37 79.051 1.989 -12.221 1.00 0.00 O ATOM 552 CG2 THR A 37 77.550 0.355 -11.277 1.00 0.00 C ATOM 0 H THR A 37 81.139 1.893 -9.978 1.00 0.00 H new ATOM 0 HA THR A 37 78.173 2.451 -9.657 1.00 0.00 H new ATOM 0 HB THR A 37 79.701 0.300 -11.235 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.990 1.527 -13.083 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.481 -0.161 -12.235 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.442 -0.367 -10.467 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.756 1.099 -11.208 1.00 0.00 H new ATOM 560 N ILE A 38 77.965 0.781 -7.859 1.00 0.00 N ATOM 561 CA ILE A 38 77.890 -0.154 -6.685 1.00 0.00 C ATOM 562 C ILE A 38 76.505 -0.809 -6.610 1.00 0.00 C ATOM 563 O ILE A 38 75.596 -0.441 -7.328 1.00 0.00 O ATOM 564 CB ILE A 38 78.134 0.699 -5.430 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.127 1.855 -5.386 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.559 1.259 -5.440 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.835 2.225 -3.933 1.00 0.00 C ATOM 0 H ILE A 38 77.167 1.408 -7.959 1.00 0.00 H new ATOM 0 HA ILE A 38 78.628 -0.951 -6.774 1.00 0.00 H new ATOM 0 HB ILE A 38 78.006 0.072 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.526 2.718 -5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.205 1.567 -5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.719 1.861 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.273 0.436 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.700 1.879 -6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.119 3.047 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.418 1.362 -3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.759 2.531 -3.443 1.00 0.00 H new ATOM 579 N VAL A 39 76.347 -1.773 -5.737 1.00 0.00 N ATOM 580 CA VAL A 39 75.049 -2.517 -5.643 1.00 0.00 C ATOM 581 C VAL A 39 74.524 -2.508 -4.201 1.00 0.00 C ATOM 582 O VAL A 39 75.249 -2.221 -3.269 1.00 0.00 O ATOM 583 CB VAL A 39 75.359 -3.945 -6.103 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.844 -3.912 -7.552 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.449 -4.559 -5.216 1.00 0.00 C ATOM 0 H VAL A 39 77.065 -2.080 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 39 74.275 -2.058 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 39 74.456 -4.550 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 39 76.066 -4.926 -7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.067 -3.484 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.745 -3.302 -7.620 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.662 -5.574 -5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.355 -3.957 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.106 -4.583 -4.182 1.00 0.00 H new ATOM 595 N ARG A 40 73.258 -2.820 -4.016 1.00 0.00 N ATOM 596 CA ARG A 40 72.621 -2.730 -2.655 1.00 0.00 C ATOM 597 C ARG A 40 72.849 -1.346 -2.035 1.00 0.00 C ATOM 598 O ARG A 40 73.547 -1.200 -1.049 1.00 0.00 O ATOM 599 CB ARG A 40 73.290 -3.827 -1.819 1.00 0.00 C ATOM 600 CG ARG A 40 72.864 -5.206 -2.347 1.00 0.00 C ATOM 601 CD ARG A 40 74.079 -6.134 -2.410 1.00 0.00 C ATOM 602 NE ARG A 40 73.521 -7.478 -2.759 1.00 0.00 N ATOM 603 CZ ARG A 40 72.834 -8.195 -1.886 1.00 0.00 C ATOM 604 NH1 ARG A 40 72.603 -7.769 -0.663 1.00 0.00 N ATOM 605 NH2 ARG A 40 72.372 -9.361 -2.248 1.00 0.00 N ATOM 0 H ARG A 40 72.632 -3.136 -4.757 1.00 0.00 H new ATOM 0 HA ARG A 40 71.541 -2.866 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.374 -3.726 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.007 -3.724 -0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 40 72.101 -5.635 -1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 40 72.420 -5.105 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 40 74.795 -5.797 -3.160 1.00 0.00 H new ATOM 0 HD3 ARG A 40 74.605 -6.161 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 40 73.675 -7.851 -3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 40 72.958 -6.861 -0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 40 72.069 -8.347 -0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 40 72.543 -9.707 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 40 71.840 -9.927 -1.586 1.00 0.00 H new ATOM 619 N ALA A 41 72.255 -0.336 -2.617 1.00 0.00 N ATOM 620 CA ALA A 41 72.522 1.068 -2.169 1.00 0.00 C ATOM 621 C ALA A 41 71.958 1.326 -0.768 1.00 0.00 C ATOM 622 O ALA A 41 70.791 1.097 -0.502 1.00 0.00 O ATOM 623 CB ALA A 41 71.806 1.956 -3.187 1.00 0.00 C ATOM 0 H ALA A 41 71.592 -0.422 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 41 73.592 1.267 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.956 3.003 -2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 41 72.211 1.769 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.740 1.730 -3.181 1.00 0.00 H new ATOM 629 N PHE A 42 72.784 1.803 0.126 1.00 0.00 N ATOM 630 CA PHE A 42 72.270 2.359 1.411 1.00 0.00 C ATOM 631 C PHE A 42 72.570 3.859 1.468 1.00 0.00 C ATOM 632 O PHE A 42 73.675 4.278 1.191 1.00 0.00 O ATOM 633 CB PHE A 42 73.019 1.610 2.517 1.00 0.00 C ATOM 634 CG PHE A 42 72.325 0.346 2.981 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.440 -0.872 2.226 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.548 0.368 4.189 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.779 -2.062 2.680 1.00 0.00 C ATOM 638 CE2 PHE A 42 70.889 -0.823 4.641 1.00 0.00 C ATOM 639 CZ PHE A 42 71.004 -2.038 3.887 1.00 0.00 C ATOM 0 H PHE A 42 73.798 1.831 0.020 1.00 0.00 H new ATOM 0 HA PHE A 42 71.192 2.235 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.016 1.355 2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.148 2.276 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.024 -0.891 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.460 1.282 4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 42 71.865 -2.977 2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.306 -0.805 5.550 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.507 -2.934 4.228 1.00 0.00 H new ATOM 649 N ARG A 43 71.600 4.662 1.824 1.00 0.00 N ATOM 650 CA ARG A 43 71.797 6.144 1.806 1.00 0.00 C ATOM 651 C ARG A 43 71.244 6.762 3.089 1.00 0.00 C ATOM 652 O ARG A 43 70.242 6.321 3.614 1.00 0.00 O ATOM 653 CB ARG A 43 71.005 6.636 0.595 1.00 0.00 C ATOM 654 CG ARG A 43 71.222 8.140 0.418 1.00 0.00 C ATOM 655 CD ARG A 43 70.352 8.649 -0.735 1.00 0.00 C ATOM 656 NE ARG A 43 70.683 10.105 -0.862 1.00 0.00 N ATOM 657 CZ ARG A 43 69.857 10.957 -1.446 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.709 10.575 -1.960 1.00 0.00 N ATOM 659 NH2 ARG A 43 70.194 12.216 -1.517 1.00 0.00 N ATOM 0 H ARG A 43 70.676 4.354 2.128 1.00 0.00 H new ATOM 0 HA ARG A 43 72.850 6.419 1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.324 6.104 -0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.944 6.425 0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.968 8.666 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.273 8.345 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.570 8.113 -1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 43 69.293 8.503 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 43 71.568 10.448 -0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 43 68.431 9.595 -1.915 1.00 0.00 H new ATOM 0 HH12 ARG A 43 68.096 11.259 -2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 43 71.082 12.529 -1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 43 69.569 12.887 -1.964 1.00 0.00 H new ATOM 673 N ASN A 44 71.895 7.781 3.603 1.00 0.00 N ATOM 674 CA ASN A 44 71.407 8.456 4.856 1.00 0.00 C ATOM 675 C ASN A 44 71.176 7.434 5.982 1.00 0.00 C ATOM 676 O ASN A 44 70.222 7.531 6.731 1.00 0.00 O ATOM 677 CB ASN A 44 70.089 9.139 4.473 1.00 0.00 C ATOM 678 CG ASN A 44 70.331 10.138 3.337 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.584 10.178 2.379 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.351 10.950 3.403 1.00 0.00 N ATOM 0 H ASN A 44 72.748 8.178 3.208 1.00 0.00 H new ATOM 0 HA ASN A 44 72.140 9.170 5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.359 8.392 4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.671 9.653 5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.521 11.618 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.978 10.917 4.207 1.00 0.00 H new ATOM 687 N GLY A 45 72.044 6.462 6.098 1.00 0.00 N ATOM 688 CA GLY A 45 71.946 5.478 7.221 1.00 0.00 C ATOM 689 C GLY A 45 70.628 4.694 7.152 1.00 0.00 C ATOM 690 O GLY A 45 70.173 4.159 8.147 1.00 0.00 O ATOM 0 H GLY A 45 72.823 6.306 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.787 4.786 7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.012 6.001 8.175 1.00 0.00 H new ATOM 694 N VAL A 46 70.011 4.621 5.994 1.00 0.00 N ATOM 695 CA VAL A 46 68.787 3.772 5.841 1.00 0.00 C ATOM 696 C VAL A 46 68.790 3.096 4.452 1.00 0.00 C ATOM 697 O VAL A 46 69.350 3.631 3.519 1.00 0.00 O ATOM 698 CB VAL A 46 67.612 4.749 6.000 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.280 4.043 5.717 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.600 5.268 7.437 1.00 0.00 C ATOM 0 H VAL A 46 70.303 5.113 5.150 1.00 0.00 H new ATOM 0 HA VAL A 46 68.730 2.965 6.572 1.00 0.00 H new ATOM 0 HB VAL A 46 67.733 5.569 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.460 4.752 5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.282 3.657 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.150 3.218 6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.771 5.963 7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.482 4.431 8.125 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.539 5.780 7.647 1.00 0.00 H new ATOM 710 N PRO A 47 68.162 1.935 4.348 1.00 0.00 N ATOM 711 CA PRO A 47 68.213 1.170 3.074 1.00 0.00 C ATOM 712 C PRO A 47 67.381 1.871 1.994 1.00 0.00 C ATOM 713 O PRO A 47 66.276 2.315 2.245 1.00 0.00 O ATOM 714 CB PRO A 47 67.605 -0.195 3.426 1.00 0.00 C ATOM 715 CG PRO A 47 67.432 -0.203 4.915 1.00 0.00 C ATOM 716 CD PRO A 47 67.365 1.230 5.361 1.00 0.00 C ATOM 0 HA PRO A 47 69.225 1.084 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.649 -0.337 2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.258 -1.007 3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.523 -0.736 5.194 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.264 -0.718 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.338 1.595 5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 47 67.779 1.360 6.361 1.00 0.00 H new ATOM 724 N LEU A 48 67.908 1.972 0.796 1.00 0.00 N ATOM 725 CA LEU A 48 67.122 2.565 -0.330 1.00 0.00 C ATOM 726 C LEU A 48 66.120 1.546 -0.878 1.00 0.00 C ATOM 727 O LEU A 48 66.361 0.353 -0.851 1.00 0.00 O ATOM 728 CB LEU A 48 68.155 2.926 -1.400 1.00 0.00 C ATOM 729 CG LEU A 48 69.071 4.032 -0.873 1.00 0.00 C ATOM 730 CD1 LEU A 48 70.197 4.290 -1.880 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.256 5.316 -0.682 1.00 0.00 C ATOM 0 H LEU A 48 68.850 1.668 0.551 1.00 0.00 H new ATOM 0 HA LEU A 48 66.548 3.434 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.743 2.047 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.652 3.258 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 48 69.501 3.724 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.849 5.078 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.776 3.377 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.769 4.599 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.905 6.107 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.828 5.621 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.454 5.135 0.034 1.00 0.00 H new ATOM 743 N ARG A 49 65.001 2.012 -1.373 1.00 0.00 N ATOM 744 CA ARG A 49 64.020 1.088 -2.027 1.00 0.00 C ATOM 745 C ARG A 49 64.665 0.450 -3.260 1.00 0.00 C ATOM 746 O ARG A 49 65.569 1.008 -3.850 1.00 0.00 O ATOM 747 CB ARG A 49 62.834 1.969 -2.434 1.00 0.00 C ATOM 748 CG ARG A 49 61.629 1.085 -2.762 1.00 0.00 C ATOM 749 CD ARG A 49 60.445 1.967 -3.168 1.00 0.00 C ATOM 750 NE ARG A 49 60.833 2.559 -4.489 1.00 0.00 N ATOM 751 CZ ARG A 49 60.270 3.663 -4.948 1.00 0.00 C ATOM 752 NH1 ARG A 49 59.337 4.303 -4.277 1.00 0.00 N ATOM 753 NH2 ARG A 49 60.652 4.134 -6.105 1.00 0.00 N ATOM 0 H ARG A 49 64.723 2.993 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 49 63.705 0.281 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.584 2.657 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 49 63.099 2.576 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.878 0.397 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 49 61.364 0.477 -1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 49 59.529 1.383 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 49 60.260 2.744 -2.427 1.00 0.00 H new ATOM 0 HE ARG A 49 61.550 2.098 -5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 49 59.026 3.950 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 49 58.924 5.153 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 49 61.374 3.651 -6.639 1.00 0.00 H new ATOM 0 HH22 ARG A 49 60.228 4.985 -6.474 1.00 0.00 H new ATOM 767 N LYS A 50 64.210 -0.720 -3.651 1.00 0.00 N ATOM 768 CA LYS A 50 64.845 -1.455 -4.801 1.00 0.00 C ATOM 769 C LYS A 50 66.342 -1.664 -4.536 1.00 0.00 C ATOM 770 O LYS A 50 67.186 -1.220 -5.293 1.00 0.00 O ATOM 771 CB LYS A 50 64.629 -0.584 -6.052 1.00 0.00 C ATOM 772 CG LYS A 50 63.134 -0.311 -6.248 1.00 0.00 C ATOM 773 CD LYS A 50 62.403 -1.627 -6.528 1.00 0.00 C ATOM 774 CE LYS A 50 60.945 -1.335 -6.891 1.00 0.00 C ATOM 775 NZ LYS A 50 60.303 -0.932 -5.609 1.00 0.00 N ATOM 0 H LYS A 50 63.421 -1.202 -3.221 1.00 0.00 H new ATOM 0 HA LYS A 50 64.401 -2.441 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.168 0.357 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.033 -1.087 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.721 0.164 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 50 62.986 0.382 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 50 62.892 -2.160 -7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 50 62.448 -2.274 -5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 50 60.875 -0.541 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 50 60.460 -2.214 -7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 59.277 -1.091 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 60.696 -1.499 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 60.487 0.076 -5.430 1.00 0.00 H new ATOM 789 N GLN A 51 66.669 -2.340 -3.460 1.00 0.00 N ATOM 790 CA GLN A 51 68.111 -2.548 -3.094 1.00 0.00 C ATOM 791 C GLN A 51 68.868 -3.225 -4.242 1.00 0.00 C ATOM 792 O GLN A 51 70.064 -3.050 -4.393 1.00 0.00 O ATOM 793 CB GLN A 51 68.090 -3.455 -1.860 1.00 0.00 C ATOM 794 CG GLN A 51 67.430 -2.717 -0.692 1.00 0.00 C ATOM 795 CD GLN A 51 67.359 -3.639 0.529 1.00 0.00 C ATOM 796 OE1 GLN A 51 67.451 -4.846 0.406 1.00 0.00 O ATOM 797 NE2 GLN A 51 67.196 -3.116 1.715 1.00 0.00 N ATOM 0 H GLN A 51 65.998 -2.759 -2.816 1.00 0.00 H new ATOM 0 HA GLN A 51 68.617 -1.603 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.543 -4.372 -2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.106 -3.746 -1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.999 -1.819 -0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.428 -2.393 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 51 67.119 -2.104 1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 51 67.146 -3.719 2.536 1.00 0.00 H new ATOM 806 N ASN A 52 68.178 -3.994 -5.047 1.00 0.00 N ATOM 807 CA ASN A 52 68.848 -4.688 -6.193 1.00 0.00 C ATOM 808 C ASN A 52 69.229 -3.688 -7.298 1.00 0.00 C ATOM 809 O ASN A 52 69.981 -4.019 -8.198 1.00 0.00 O ATOM 810 CB ASN A 52 67.817 -5.691 -6.718 1.00 0.00 C ATOM 811 CG ASN A 52 67.500 -6.722 -5.631 1.00 0.00 C ATOM 812 OD1 ASN A 52 68.280 -6.928 -4.722 1.00 0.00 O ATOM 813 ND2 ASN A 52 66.378 -7.385 -5.688 1.00 0.00 N ATOM 0 H ASN A 52 67.177 -4.172 -4.961 1.00 0.00 H new ATOM 0 HA ASN A 52 69.772 -5.173 -5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.907 -5.170 -7.015 1.00 0.00 H new ATOM 0 HB3 ASN A 52 68.202 -6.192 -7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 52 66.156 -8.075 -4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 52 65.722 -7.213 -6.450 1.00 0.00 H new ATOM 820 N ALA A 53 68.722 -2.472 -7.245 1.00 0.00 N ATOM 821 CA ALA A 53 69.069 -1.463 -8.296 1.00 0.00 C ATOM 822 C ALA A 53 70.501 -0.963 -8.090 1.00 0.00 C ATOM 823 O ALA A 53 70.943 -0.765 -6.972 1.00 0.00 O ATOM 824 CB ALA A 53 68.068 -0.320 -8.110 1.00 0.00 C ATOM 0 H ALA A 53 68.086 -2.140 -6.520 1.00 0.00 H new ATOM 0 HA ALA A 53 69.017 -1.882 -9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.263 0.458 -8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.054 -0.699 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.173 0.096 -7.108 1.00 0.00 H new ATOM 830 N GLU A 54 71.224 -0.759 -9.164 1.00 0.00 N ATOM 831 CA GLU A 54 72.645 -0.303 -9.046 1.00 0.00 C ATOM 832 C GLU A 54 72.719 1.232 -8.986 1.00 0.00 C ATOM 833 O GLU A 54 71.945 1.924 -9.621 1.00 0.00 O ATOM 834 CB GLU A 54 73.359 -0.859 -10.296 1.00 0.00 C ATOM 835 CG GLU A 54 72.844 -0.187 -11.580 1.00 0.00 C ATOM 836 CD GLU A 54 73.549 -0.798 -12.792 1.00 0.00 C ATOM 837 OE1 GLU A 54 74.728 -0.536 -12.961 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.898 -1.519 -13.530 1.00 0.00 O ATOM 0 H GLU A 54 70.891 -0.889 -10.119 1.00 0.00 H new ATOM 0 HA GLU A 54 73.117 -0.662 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.433 -0.699 -10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 54 73.202 -1.936 -10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.766 -0.322 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 54 73.029 0.886 -11.541 1.00 0.00 H new ATOM 845 N VAL A 55 73.647 1.756 -8.225 1.00 0.00 N ATOM 846 CA VAL A 55 73.854 3.238 -8.186 1.00 0.00 C ATOM 847 C VAL A 55 75.079 3.599 -9.022 1.00 0.00 C ATOM 848 O VAL A 55 76.155 3.072 -8.804 1.00 0.00 O ATOM 849 CB VAL A 55 74.101 3.569 -6.707 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.342 5.076 -6.534 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.879 3.163 -5.882 1.00 0.00 C ATOM 0 H VAL A 55 74.274 1.219 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 55 73.005 3.792 -8.587 1.00 0.00 H new ATOM 0 HB VAL A 55 74.980 3.022 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.516 5.298 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.214 5.374 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.468 5.627 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.054 3.398 -4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.004 3.709 -6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.706 2.092 -5.990 1.00 0.00 H new ATOM 861 N VAL A 56 74.926 4.487 -9.974 1.00 0.00 N ATOM 862 CA VAL A 56 76.104 4.936 -10.775 1.00 0.00 C ATOM 863 C VAL A 56 76.237 6.453 -10.678 1.00 0.00 C ATOM 864 O VAL A 56 75.405 7.193 -11.172 1.00 0.00 O ATOM 865 CB VAL A 56 75.838 4.509 -12.221 1.00 0.00 C ATOM 866 CG1 VAL A 56 77.080 4.822 -13.054 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.560 3.002 -12.287 1.00 0.00 C ATOM 0 H VAL A 56 74.038 4.919 -10.230 1.00 0.00 H new ATOM 0 HA VAL A 56 77.032 4.496 -10.410 1.00 0.00 H new ATOM 0 HB VAL A 56 74.971 5.046 -12.605 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.909 4.524 -14.088 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.285 5.892 -13.014 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.933 4.274 -12.655 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.372 2.712 -13.321 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.424 2.456 -11.908 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.686 2.766 -11.680 1.00 0.00 H new ATOM 877 N LEU A 57 77.278 6.913 -10.044 1.00 0.00 N ATOM 878 CA LEU A 57 77.416 8.373 -9.769 1.00 0.00 C ATOM 879 C LEU A 57 78.784 8.875 -10.239 1.00 0.00 C ATOM 880 O LEU A 57 79.800 8.250 -9.992 1.00 0.00 O ATOM 881 CB LEU A 57 77.242 8.473 -8.255 1.00 0.00 C ATOM 882 CG LEU A 57 75.743 8.549 -7.943 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.460 7.918 -6.583 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.308 10.016 -7.904 1.00 0.00 C ATOM 0 H LEU A 57 78.047 6.337 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 57 76.690 8.991 -10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.688 7.608 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.754 9.356 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 57 75.193 8.012 -8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.393 7.977 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.771 6.873 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.014 8.453 -5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.242 10.074 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.868 10.541 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.503 10.479 -8.871 1.00 0.00 H new ATOM 896 N LYS A 58 78.810 9.996 -10.916 1.00 0.00 N ATOM 897 CA LYS A 58 80.095 10.505 -11.493 1.00 0.00 C ATOM 898 C LYS A 58 80.986 11.090 -10.395 1.00 0.00 C ATOM 899 O LYS A 58 80.514 11.729 -9.473 1.00 0.00 O ATOM 900 CB LYS A 58 79.684 11.599 -12.481 1.00 0.00 C ATOM 901 CG LYS A 58 78.872 10.981 -13.620 1.00 0.00 C ATOM 902 CD LYS A 58 78.565 12.052 -14.668 1.00 0.00 C ATOM 903 CE LYS A 58 77.652 11.464 -15.748 1.00 0.00 C ATOM 904 NZ LYS A 58 76.735 12.576 -16.123 1.00 0.00 N ATOM 0 H LYS A 58 77.995 10.583 -11.095 1.00 0.00 H new ATOM 0 HA LYS A 58 80.666 9.710 -11.973 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.094 12.361 -11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.569 12.095 -12.879 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.429 10.161 -14.075 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.944 10.560 -13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 58 78.084 12.909 -14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.491 12.413 -15.116 1.00 0.00 H new ATOM 0 HE2 LYS A 58 78.228 11.120 -16.607 1.00 0.00 H new ATOM 0 HE3 LYS A 58 77.097 10.605 -15.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 76.078 12.250 -16.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 76.196 12.878 -15.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 77.291 13.377 -16.484 1.00 0.00 H new ATOM 918 N CYS A 59 82.276 10.873 -10.492 1.00 0.00 N ATOM 919 CA CYS A 59 83.234 11.480 -9.506 1.00 0.00 C ATOM 920 C CYS A 59 83.061 13.006 -9.442 1.00 0.00 C ATOM 921 O CYS A 59 83.258 13.617 -8.408 1.00 0.00 O ATOM 922 CB CYS A 59 84.639 11.114 -10.016 1.00 0.00 C ATOM 923 SG CYS A 59 84.896 11.752 -11.697 1.00 0.00 S ATOM 0 H CYS A 59 82.711 10.299 -11.214 1.00 0.00 H new ATOM 0 HA CYS A 59 83.060 11.106 -8.497 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.394 11.526 -9.346 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.763 10.031 -10.009 1.00 0.00 H new ATOM 0 HG CYS A 59 86.088 11.433 -12.105 1.00 0.00 H new ATOM 929 N THR A 60 82.695 13.614 -10.544 1.00 0.00 N ATOM 930 CA THR A 60 82.535 15.104 -10.572 1.00 0.00 C ATOM 931 C THR A 60 81.404 15.532 -9.631 1.00 0.00 C ATOM 932 O THR A 60 81.398 16.638 -9.125 1.00 0.00 O ATOM 933 CB THR A 60 82.187 15.455 -12.023 1.00 0.00 C ATOM 934 OG1 THR A 60 80.974 14.810 -12.385 1.00 0.00 O ATOM 935 CG2 THR A 60 83.312 14.994 -12.952 1.00 0.00 C ATOM 0 H THR A 60 82.500 13.143 -11.427 1.00 0.00 H new ATOM 0 HA THR A 60 83.439 15.616 -10.242 1.00 0.00 H new ATOM 0 HB THR A 60 82.068 16.535 -12.116 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.748 15.034 -13.312 1.00 0.00 H new ATOM 0 HG21 THR A 60 83.060 15.246 -13.982 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.241 15.492 -12.674 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.438 13.915 -12.863 1.00 0.00 H new ATOM 943 N ASP A 61 80.452 14.661 -9.398 1.00 0.00 N ATOM 944 CA ASP A 61 79.351 14.982 -8.438 1.00 0.00 C ATOM 945 C ASP A 61 79.758 14.569 -7.020 1.00 0.00 C ATOM 946 O ASP A 61 79.289 15.126 -6.045 1.00 0.00 O ATOM 947 CB ASP A 61 78.147 14.169 -8.917 1.00 0.00 C ATOM 948 CG ASP A 61 77.732 14.628 -10.321 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.938 15.790 -10.633 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.216 13.806 -11.060 1.00 0.00 O ATOM 0 H ASP A 61 80.391 13.740 -9.832 1.00 0.00 H new ATOM 0 HA ASP A 61 79.126 16.048 -8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.396 13.108 -8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.315 14.292 -8.224 1.00 0.00 H new ATOM 955 N ILE A 62 80.628 13.595 -6.904 1.00 0.00 N ATOM 956 CA ILE A 62 81.139 13.188 -5.557 1.00 0.00 C ATOM 957 C ILE A 62 82.274 14.125 -5.129 1.00 0.00 C ATOM 958 O ILE A 62 83.113 14.498 -5.928 1.00 0.00 O ATOM 959 CB ILE A 62 81.660 11.755 -5.741 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.514 10.847 -6.209 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.207 11.230 -4.410 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.071 9.492 -6.661 1.00 0.00 C ATOM 0 H ILE A 62 81.007 13.063 -7.687 1.00 0.00 H new ATOM 0 HA ILE A 62 80.370 13.240 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 62 82.455 11.756 -6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.798 10.704 -5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 62 79.976 11.321 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.576 10.213 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.022 11.870 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.412 11.232 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.252 8.854 -6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 62 81.769 9.642 -7.485 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.589 9.016 -5.829 1.00 0.00 H new ATOM 974 N ARG A 63 82.302 14.503 -3.874 1.00 0.00 N ATOM 975 CA ARG A 63 83.390 15.399 -3.379 1.00 0.00 C ATOM 976 C ARG A 63 84.423 14.615 -2.558 1.00 0.00 C ATOM 977 O ARG A 63 85.518 15.097 -2.328 1.00 0.00 O ATOM 978 CB ARG A 63 82.689 16.440 -2.506 1.00 0.00 C ATOM 979 CG ARG A 63 81.821 17.345 -3.382 1.00 0.00 C ATOM 980 CD ARG A 63 82.720 18.196 -4.285 1.00 0.00 C ATOM 981 NE ARG A 63 81.796 19.161 -4.963 1.00 0.00 N ATOM 982 CZ ARG A 63 82.128 19.769 -6.089 1.00 0.00 C ATOM 983 NH1 ARG A 63 83.288 19.565 -6.675 1.00 0.00 N ATOM 984 NH2 ARG A 63 81.281 20.598 -6.635 1.00 0.00 N ATOM 0 H ARG A 63 81.616 14.228 -3.171 1.00 0.00 H new ATOM 0 HA ARG A 63 83.937 15.856 -4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 63 82.073 15.944 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 63 83.427 17.036 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 63 81.145 16.742 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 63 81.201 17.988 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.479 18.720 -3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 63 83.246 17.577 -5.012 1.00 0.00 H new ATOM 0 HE ARG A 63 80.886 19.354 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.962 18.921 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 63 83.513 20.050 -7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 63 80.378 20.769 -6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 63 81.522 21.075 -7.504 1.00 0.00 H new ATOM 998 N SER A 64 84.094 13.417 -2.113 1.00 0.00 N ATOM 999 CA SER A 64 85.105 12.595 -1.371 1.00 0.00 C ATOM 1000 C SER A 64 84.712 11.117 -1.371 1.00 0.00 C ATOM 1001 O SER A 64 83.546 10.778 -1.365 1.00 0.00 O ATOM 1002 CB SER A 64 85.107 13.153 0.051 1.00 0.00 C ATOM 1003 OG SER A 64 86.122 12.508 0.808 1.00 0.00 O ATOM 0 H SER A 64 83.180 12.981 -2.232 1.00 0.00 H new ATOM 0 HA SER A 64 86.091 12.651 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.280 14.229 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.134 12.995 0.517 1.00 0.00 H new ATOM 0 HG SER A 64 86.127 12.865 1.720 1.00 0.00 H new ATOM 1009 N ILE A 65 85.687 10.237 -1.375 1.00 0.00 N ATOM 1010 CA ILE A 65 85.389 8.770 -1.348 1.00 0.00 C ATOM 1011 C ILE A 65 86.381 8.059 -0.421 1.00 0.00 C ATOM 1012 O ILE A 65 87.534 8.436 -0.328 1.00 0.00 O ATOM 1013 CB ILE A 65 85.550 8.269 -2.790 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.627 9.059 -3.731 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.185 6.780 -2.848 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.860 8.626 -5.185 1.00 0.00 C ATOM 0 H ILE A 65 86.679 10.474 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 65 84.384 8.570 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 65 86.583 8.411 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.586 8.892 -3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.817 10.127 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.297 6.417 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.846 6.217 -2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.152 6.646 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.201 9.192 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.898 8.816 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.647 7.562 -5.286 1.00 0.00 H new ATOM 1028 N ASP A 66 85.931 7.035 0.261 1.00 0.00 N ATOM 1029 CA ASP A 66 86.835 6.282 1.185 1.00 0.00 C ATOM 1030 C ASP A 66 86.598 4.773 1.061 1.00 0.00 C ATOM 1031 O ASP A 66 85.471 4.318 1.078 1.00 0.00 O ATOM 1032 CB ASP A 66 86.460 6.776 2.590 1.00 0.00 C ATOM 1033 CG ASP A 66 84.981 6.486 2.882 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.144 6.969 2.138 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.715 5.787 3.845 1.00 0.00 O ATOM 0 H ASP A 66 84.973 6.687 0.217 1.00 0.00 H new ATOM 0 HA ASP A 66 87.888 6.450 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 66 87.087 6.285 3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.650 7.846 2.669 1.00 0.00 H new ATOM 1040 N LEU A 67 87.650 4.000 0.934 1.00 0.00 N ATOM 1041 CA LEU A 67 87.499 2.510 0.969 1.00 0.00 C ATOM 1042 C LEU A 67 87.319 2.043 2.418 1.00 0.00 C ATOM 1043 O LEU A 67 88.221 2.157 3.228 1.00 0.00 O ATOM 1044 CB LEU A 67 88.810 1.963 0.395 1.00 0.00 C ATOM 1045 CG LEU A 67 88.736 1.929 -1.141 1.00 0.00 C ATOM 1046 CD1 LEU A 67 90.064 2.409 -1.733 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.470 0.493 -1.613 1.00 0.00 C ATOM 0 H LEU A 67 88.605 4.335 0.808 1.00 0.00 H new ATOM 0 HA LEU A 67 86.633 2.166 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.645 2.587 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.996 0.961 0.781 1.00 0.00 H new ATOM 0 HG LEU A 67 87.928 2.582 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 67 90.008 2.383 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.262 3.429 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.870 1.757 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.418 0.472 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.278 -0.156 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.525 0.143 -1.198 1.00 0.00 H new ATOM 1059 N ILE A 68 86.164 1.518 2.747 1.00 0.00 N ATOM 1060 CA ILE A 68 85.911 1.055 4.150 1.00 0.00 C ATOM 1061 C ILE A 68 86.606 -0.289 4.392 1.00 0.00 C ATOM 1062 O ILE A 68 87.267 -0.485 5.395 1.00 0.00 O ATOM 1063 CB ILE A 68 84.387 0.908 4.263 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.715 2.255 3.970 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.014 0.461 5.681 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.196 2.071 3.920 1.00 0.00 C ATOM 0 H ILE A 68 85.383 1.389 2.104 1.00 0.00 H new ATOM 0 HA ILE A 68 86.300 1.753 4.891 1.00 0.00 H new ATOM 0 HB ILE A 68 84.048 0.164 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.979 2.980 4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.075 2.654 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 68 82.932 0.358 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.486 -0.498 5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.359 1.205 6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.720 3.029 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.941 1.361 3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.844 1.692 4.879 1.00 0.00 H new ATOM 1078 N GLU A 69 86.455 -1.210 3.474 1.00 0.00 N ATOM 1079 CA GLU A 69 87.043 -2.572 3.658 1.00 0.00 C ATOM 1080 C GLU A 69 87.692 -3.049 2.347 1.00 0.00 C ATOM 1081 O GLU A 69 87.000 -3.530 1.470 1.00 0.00 O ATOM 1082 CB GLU A 69 85.862 -3.468 4.029 1.00 0.00 C ATOM 1083 CG GLU A 69 85.460 -3.207 5.483 1.00 0.00 C ATOM 1084 CD GLU A 69 84.118 -3.882 5.770 1.00 0.00 C ATOM 1085 OE1 GLU A 69 84.038 -5.090 5.616 1.00 0.00 O ATOM 1086 OE2 GLU A 69 83.191 -3.180 6.139 1.00 0.00 O ATOM 0 H GLU A 69 85.947 -1.076 2.600 1.00 0.00 H new ATOM 0 HA GLU A 69 87.820 -2.587 4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.019 -3.270 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.131 -4.516 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.225 -3.592 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 69 85.386 -2.135 5.664 1.00 0.00 H new