USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 519 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 35 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -3.4! C(o=-4!,f=-3.4!) USER MOD Single : A 22 GLN : amide:sc= -1.02 K(o=-1,f=-1.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.2) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 52 THR OG1 : rot -71:sc= 0.131 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -55:sc= 1.05 USER MOD Single : A 73 THR OG1 : rot 27:sc= 0.0512 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 82 THR OG1 : rot 101:sc= 0.607 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 12.490 4.458 2.468 1.00 0.00 N ATOM 98 CA VAL A 10 11.676 3.280 2.190 1.00 0.00 C ATOM 99 C VAL A 10 11.449 2.460 3.455 1.00 0.00 C ATOM 100 O VAL A 10 12.297 1.658 3.847 1.00 0.00 O ATOM 101 CB VAL A 10 12.330 2.385 1.121 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.490 1.140 0.880 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.531 3.161 -0.172 1.00 0.00 C ATOM 0 HA VAL A 10 10.717 3.638 1.815 1.00 0.00 H new ATOM 0 HB VAL A 10 13.308 2.069 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.968 0.520 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.402 0.575 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.497 1.432 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.994 2.514 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.566 3.507 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.177 4.019 0.015 1.00 0.00 H new ATOM 113 N GLU A 11 10.299 2.665 4.088 1.00 0.00 N ATOM 114 CA GLU A 11 9.961 1.943 5.310 1.00 0.00 C ATOM 115 C GLU A 11 9.837 0.446 5.041 1.00 0.00 C ATOM 116 O GLU A 11 8.934 0.005 4.330 1.00 0.00 O ATOM 117 CB GLU A 11 8.652 2.476 5.898 1.00 0.00 C ATOM 118 CG GLU A 11 8.565 2.342 7.409 1.00 0.00 C ATOM 119 CD GLU A 11 7.582 3.319 8.025 1.00 0.00 C ATOM 120 OE1 GLU A 11 7.436 4.434 7.482 1.00 0.00 O ATOM 121 OE2 GLU A 11 6.961 2.968 9.050 1.00 0.00 O ATOM 0 H GLU A 11 9.586 3.324 3.776 1.00 0.00 H new ATOM 0 HA GLU A 11 10.765 2.100 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.543 3.526 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.816 1.942 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.268 1.325 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.552 2.504 7.842 1.00 0.00 H new ATOM 128 N SER A 12 10.753 -0.329 5.613 1.00 0.00 N ATOM 129 CA SER A 12 10.750 -1.776 5.432 1.00 0.00 C ATOM 130 C SER A 12 9.797 -2.445 6.417 1.00 0.00 C ATOM 131 O SER A 12 9.568 -1.941 7.517 1.00 0.00 O ATOM 132 CB SER A 12 12.163 -2.336 5.610 1.00 0.00 C ATOM 133 OG SER A 12 12.128 -3.719 5.918 1.00 0.00 O ATOM 0 H SER A 12 11.506 0.021 6.205 1.00 0.00 H new ATOM 0 HA SER A 12 10.407 -1.990 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.738 -2.178 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.674 -1.796 6.407 1.00 0.00 H new ATOM 0 HG SER A 12 13.043 -4.054 6.025 1.00 0.00 H new ATOM 139 N PHE A 13 9.244 -3.585 6.015 1.00 0.00 N ATOM 140 CA PHE A 13 8.315 -4.324 6.862 1.00 0.00 C ATOM 141 C PHE A 13 8.505 -5.829 6.693 1.00 0.00 C ATOM 142 O PHE A 13 9.175 -6.281 5.763 1.00 0.00 O ATOM 143 CB PHE A 13 6.872 -3.940 6.528 1.00 0.00 C ATOM 144 CG PHE A 13 6.442 -2.637 7.139 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.714 -1.436 6.505 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.766 -2.614 8.348 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.319 -0.236 7.066 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.369 -1.417 8.914 1.00 0.00 C ATOM 149 CZ PHE A 13 5.645 -0.226 8.271 1.00 0.00 C ATOM 0 H PHE A 13 9.423 -4.017 5.108 1.00 0.00 H new ATOM 0 HA PHE A 13 8.522 -4.064 7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.762 -3.878 5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.205 -4.731 6.871 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.240 -1.437 5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.547 -3.542 8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.538 0.694 6.562 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.844 -1.413 9.858 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.334 0.711 8.710 1.00 0.00 H new ATOM 159 N LEU A 14 7.911 -6.599 7.598 1.00 0.00 N ATOM 160 CA LEU A 14 8.014 -8.053 7.551 1.00 0.00 C ATOM 161 C LEU A 14 6.846 -8.706 8.283 1.00 0.00 C ATOM 162 O LEU A 14 6.572 -8.391 9.441 1.00 0.00 O ATOM 163 CB LEU A 14 9.337 -8.511 8.167 1.00 0.00 C ATOM 164 CG LEU A 14 9.659 -10.000 8.036 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.650 -10.834 8.809 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.685 -10.413 6.571 1.00 0.00 C ATOM 0 H LEU A 14 7.353 -6.241 8.373 1.00 0.00 H new ATOM 0 HA LEU A 14 7.981 -8.361 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.145 -7.943 7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.330 -8.253 9.226 1.00 0.00 H new ATOM 0 HG LEU A 14 10.647 -10.177 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.895 -11.891 8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.680 -10.557 9.863 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.650 -10.653 8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.916 -11.476 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.711 -10.221 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.447 -9.839 6.045 1.00 0.00 H new ATOM 178 N VAL A 15 6.162 -9.619 7.601 1.00 0.00 N ATOM 179 CA VAL A 15 5.025 -10.319 8.188 1.00 0.00 C ATOM 180 C VAL A 15 4.894 -11.727 7.618 1.00 0.00 C ATOM 181 O VAL A 15 5.738 -12.176 6.843 1.00 0.00 O ATOM 182 CB VAL A 15 3.710 -9.554 7.947 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.715 -8.233 8.700 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.490 -9.329 6.459 1.00 0.00 C ATOM 0 H VAL A 15 6.375 -9.891 6.641 1.00 0.00 H new ATOM 0 HA VAL A 15 5.209 -10.380 9.261 1.00 0.00 H new ATOM 0 HB VAL A 15 2.884 -10.157 8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.778 -7.707 8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.822 -8.423 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.548 -7.621 8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.556 -8.787 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.317 -8.747 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.438 -10.291 5.949 1.00 0.00 H new ATOM 194 N HIS A 16 3.828 -12.420 8.008 1.00 0.00 N ATOM 195 CA HIS A 16 3.585 -13.778 7.535 1.00 0.00 C ATOM 196 C HIS A 16 2.154 -13.927 7.026 1.00 0.00 C ATOM 197 O HIS A 16 1.309 -13.052 7.211 1.00 0.00 O ATOM 198 CB HIS A 16 3.848 -14.785 8.655 1.00 0.00 C ATOM 199 CG HIS A 16 2.607 -15.451 9.165 1.00 0.00 C ATOM 200 ND1 HIS A 16 1.445 -14.928 9.622 1.00 0.00 N flip ATOM 201 CD2 HIS A 16 2.468 -16.821 9.248 1.00 0.00 C flip ATOM 202 CE1 HIS A 16 0.633 -15.980 9.968 1.00 0.00 C flip ATOM 203 NE2 HIS A 16 1.274 -17.111 9.733 1.00 0.00 N flip ATOM 0 H HIS A 16 3.120 -12.064 8.650 1.00 0.00 H new ATOM 0 HA HIS A 16 4.268 -13.978 6.710 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.537 -15.548 8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.343 -14.276 9.482 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.218 -17.543 8.961 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.367 -15.896 10.367 1.00 0.00 H new ATOM 0 HE2 HIS A 16 0.909 -18.049 9.898 1.00 0.00 H new ATOM 212 N PRO A 17 1.875 -15.063 6.368 1.00 0.00 N ATOM 213 CA PRO A 17 0.548 -15.354 5.819 1.00 0.00 C ATOM 214 C PRO A 17 -0.486 -15.615 6.909 1.00 0.00 C ATOM 215 O PRO A 17 -0.656 -16.748 7.357 1.00 0.00 O ATOM 216 CB PRO A 17 0.777 -16.617 4.985 1.00 0.00 C ATOM 217 CG PRO A 17 1.965 -17.268 5.605 1.00 0.00 C ATOM 218 CD PRO A 17 2.834 -16.150 6.111 1.00 0.00 C ATOM 0 HA PRO A 17 0.152 -14.515 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.093 -17.273 5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.960 -16.373 3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.667 -17.929 6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.499 -17.879 4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.370 -16.436 7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.584 -15.859 5.375 1.00 0.00 H new ATOM 226 N GLY A 18 -1.175 -14.559 7.331 1.00 0.00 N ATOM 227 CA GLY A 18 -2.184 -14.697 8.365 1.00 0.00 C ATOM 228 C GLY A 18 -2.128 -13.575 9.383 1.00 0.00 C ATOM 229 O GLY A 18 -2.994 -13.472 10.252 1.00 0.00 O ATOM 0 H GLY A 18 -1.052 -13.611 6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.172 -14.716 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.051 -15.652 8.873 1.00 0.00 H new ATOM 233 N ASP A 19 -1.106 -12.733 9.277 1.00 0.00 N ATOM 234 CA ASP A 19 -0.939 -11.613 10.196 1.00 0.00 C ATOM 235 C ASP A 19 -1.701 -10.387 9.702 1.00 0.00 C ATOM 236 O ASP A 19 -2.413 -10.448 8.699 1.00 0.00 O ATOM 237 CB ASP A 19 0.544 -11.276 10.360 1.00 0.00 C ATOM 238 CG ASP A 19 1.206 -12.095 11.450 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.606 -13.100 11.886 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.326 -11.732 11.867 1.00 0.00 O ATOM 0 H ASP A 19 -0.380 -12.805 8.564 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.346 -11.906 11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.060 -11.449 9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.649 -10.216 10.591 1.00 0.00 H new ATOM 245 N LEU A 20 -1.546 -9.276 10.413 1.00 0.00 N ATOM 246 CA LEU A 20 -2.220 -8.034 10.047 1.00 0.00 C ATOM 247 C LEU A 20 -1.225 -7.013 9.505 1.00 0.00 C ATOM 248 O LEU A 20 -0.417 -6.460 10.253 1.00 0.00 O ATOM 249 CB LEU A 20 -2.955 -7.454 11.257 1.00 0.00 C ATOM 250 CG LEU A 20 -3.733 -6.161 11.014 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.923 -6.418 10.103 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.190 -5.557 12.333 1.00 0.00 C ATOM 0 H LEU A 20 -0.960 -9.209 11.245 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.943 -8.260 9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.649 -8.207 11.630 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.226 -7.273 12.047 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.071 -5.449 10.522 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.465 -5.486 9.941 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.572 -6.805 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.586 -7.148 10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.742 -4.637 12.140 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.835 -6.265 12.853 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.321 -5.335 12.952 1.00 0.00 H new ATOM 264 N LEU A 21 -1.289 -6.767 8.202 1.00 0.00 N ATOM 265 CA LEU A 21 -0.395 -5.810 7.559 1.00 0.00 C ATOM 266 C LEU A 21 -0.881 -4.380 7.776 1.00 0.00 C ATOM 267 O LEU A 21 -1.880 -3.960 7.193 1.00 0.00 O ATOM 268 CB LEU A 21 -0.292 -6.104 6.062 1.00 0.00 C ATOM 269 CG LEU A 21 0.656 -5.207 5.265 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.078 -5.334 5.790 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.599 -5.554 3.784 1.00 0.00 C ATOM 0 H LEU A 21 -1.951 -7.217 7.569 1.00 0.00 H new ATOM 0 HA LEU A 21 0.592 -5.912 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.028 -7.139 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.288 -6.023 5.627 1.00 0.00 H new ATOM 0 HG LEU A 21 0.336 -4.172 5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.739 -4.689 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.107 -5.036 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.409 -6.368 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.280 -4.906 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.893 -6.594 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.417 -5.411 3.416 1.00 0.00 H new ATOM 283 N GLN A 22 -0.165 -3.638 8.614 1.00 0.00 N ATOM 284 CA GLN A 22 -0.523 -2.255 8.906 1.00 0.00 C ATOM 285 C GLN A 22 0.552 -1.297 8.403 1.00 0.00 C ATOM 286 O GLN A 22 1.741 -1.493 8.656 1.00 0.00 O ATOM 287 CB GLN A 22 -0.728 -2.065 10.410 1.00 0.00 C ATOM 288 CG GLN A 22 -2.118 -2.454 10.888 1.00 0.00 C ATOM 289 CD GLN A 22 -2.467 -1.839 12.229 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.721 -1.016 12.760 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.607 -2.235 12.783 1.00 0.00 N ATOM 0 H GLN A 22 0.666 -3.971 9.103 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.456 -2.031 8.388 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.011 -2.659 10.947 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.544 -1.021 10.664 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.854 -2.142 10.147 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.182 -3.540 10.963 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.195 -2.920 12.307 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.895 -1.855 13.684 1.00 0.00 H new ATOM 300 N LEU A 23 0.126 -0.261 7.688 1.00 0.00 N ATOM 301 CA LEU A 23 1.053 0.728 7.148 1.00 0.00 C ATOM 302 C LEU A 23 0.645 2.139 7.563 1.00 0.00 C ATOM 303 O LEU A 23 -0.402 2.337 8.179 1.00 0.00 O ATOM 304 CB LEU A 23 1.105 0.628 5.623 1.00 0.00 C ATOM 305 CG LEU A 23 1.651 -0.683 5.055 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.541 -0.694 3.538 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.094 -0.892 5.489 1.00 0.00 C ATOM 0 H LEU A 23 -0.854 -0.084 7.469 1.00 0.00 H new ATOM 0 HA LEU A 23 2.044 0.521 7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.098 0.778 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.717 1.447 5.246 1.00 0.00 H new ATOM 0 HG LEU A 23 1.052 -1.505 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.934 -1.634 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.495 -0.592 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.115 0.136 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.466 -1.829 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.706 -0.067 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.145 -0.930 6.577 1.00 0.00 H new ATOM 319 N ARG A 24 1.479 3.115 7.218 1.00 0.00 N ATOM 320 CA ARG A 24 1.205 4.507 7.554 1.00 0.00 C ATOM 321 C ARG A 24 1.819 5.446 6.520 1.00 0.00 C ATOM 322 O ARG A 24 2.910 5.194 6.007 1.00 0.00 O ATOM 323 CB ARG A 24 1.750 4.835 8.945 1.00 0.00 C ATOM 324 CG ARG A 24 1.067 6.025 9.601 1.00 0.00 C ATOM 325 CD ARG A 24 1.669 6.330 10.964 1.00 0.00 C ATOM 326 NE ARG A 24 3.028 6.852 10.858 1.00 0.00 N ATOM 327 CZ ARG A 24 4.109 6.082 10.800 1.00 0.00 C ATOM 328 NH1 ARG A 24 3.989 4.762 10.837 1.00 0.00 N ATOM 329 NH2 ARG A 24 5.313 6.631 10.704 1.00 0.00 N ATOM 0 H ARG A 24 2.349 2.967 6.707 1.00 0.00 H new ATOM 0 HA ARG A 24 0.124 4.650 7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.635 3.961 9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.819 5.036 8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.159 6.900 8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.002 5.820 9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.042 7.055 11.483 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.675 5.423 11.569 1.00 0.00 H new ATOM 0 HE ARG A 24 3.155 7.864 10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.065 4.336 10.910 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.820 4.173 10.792 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.410 7.646 10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.142 6.038 10.660 1.00 0.00 H new ATOM 343 N CYS A 25 1.112 6.530 6.219 1.00 0.00 N ATOM 344 CA CYS A 25 1.587 7.507 5.246 1.00 0.00 C ATOM 345 C CYS A 25 1.834 8.859 5.909 1.00 0.00 C ATOM 346 O CYS A 25 0.949 9.413 6.562 1.00 0.00 O ATOM 347 CB CYS A 25 0.572 7.662 4.111 1.00 0.00 C ATOM 348 SG CYS A 25 1.025 8.921 2.876 1.00 0.00 S ATOM 0 H CYS A 25 0.208 6.754 6.635 1.00 0.00 H new ATOM 0 HA CYS A 25 2.530 7.145 4.836 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.455 6.702 3.609 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.398 7.919 4.538 1.00 0.00 H new ATOM 353 N ARG A 26 3.042 9.384 5.737 1.00 0.00 N ATOM 354 CA ARG A 26 3.407 10.670 6.319 1.00 0.00 C ATOM 355 C ARG A 26 2.703 11.814 5.595 1.00 0.00 C ATOM 356 O ARG A 26 2.957 12.066 4.416 1.00 0.00 O ATOM 357 CB ARG A 26 4.922 10.870 6.260 1.00 0.00 C ATOM 358 CG ARG A 26 5.659 10.309 7.465 1.00 0.00 C ATOM 359 CD ARG A 26 7.164 10.463 7.319 1.00 0.00 C ATOM 360 NE ARG A 26 7.640 11.731 7.867 1.00 0.00 N ATOM 361 CZ ARG A 26 7.808 11.954 9.166 1.00 0.00 C ATOM 362 NH1 ARG A 26 7.540 10.999 10.045 1.00 0.00 N ATOM 363 NH2 ARG A 26 8.245 13.134 9.587 1.00 0.00 N ATOM 0 H ARG A 26 3.785 8.939 5.199 1.00 0.00 H new ATOM 0 HA ARG A 26 3.088 10.672 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.307 10.397 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.136 11.936 6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.326 10.821 8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.410 9.255 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.664 9.638 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.434 10.399 6.265 1.00 0.00 H new ATOM 0 HE ARG A 26 7.855 12.487 7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.204 10.091 9.725 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.670 11.172 11.042 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.452 13.871 8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.374 13.304 10.584 1.00 0.00 H new ATOM 477 N SER A 33 -5.290 15.359 -0.054 1.00 0.00 N ATOM 478 CA SER A 33 -5.734 13.991 -0.293 1.00 0.00 C ATOM 479 C SER A 33 -4.552 13.026 -0.277 1.00 0.00 C ATOM 480 O SER A 33 -3.404 13.436 -0.108 1.00 0.00 O ATOM 481 CB SER A 33 -6.465 13.897 -1.634 1.00 0.00 C ATOM 482 OG SER A 33 -7.849 14.159 -1.479 1.00 0.00 O ATOM 0 HA SER A 33 -6.420 13.712 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.033 14.609 -2.338 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.325 12.903 -2.059 1.00 0.00 H new ATOM 0 HG SER A 33 -8.294 14.095 -2.350 1.00 0.00 H new ATOM 488 N ILE A 34 -4.844 11.741 -0.454 1.00 0.00 N ATOM 489 CA ILE A 34 -3.806 10.718 -0.461 1.00 0.00 C ATOM 490 C ILE A 34 -4.063 9.682 -1.550 1.00 0.00 C ATOM 491 O ILE A 34 -5.211 9.369 -1.865 1.00 0.00 O ATOM 492 CB ILE A 34 -3.712 10.003 0.900 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.758 11.022 2.040 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.439 9.173 0.975 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.042 10.404 3.392 1.00 0.00 C ATOM 0 H ILE A 34 -5.789 11.385 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.863 11.226 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.566 9.333 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.805 11.550 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.524 11.766 1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.387 8.674 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.444 8.426 0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.573 9.824 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.060 11.185 4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.008 9.900 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.262 9.681 3.633 1.00 0.00 H new ATOM 507 N ASN A 35 -2.987 9.151 -2.121 1.00 0.00 N ATOM 508 CA ASN A 35 -3.096 8.149 -3.174 1.00 0.00 C ATOM 509 C ASN A 35 -2.236 6.929 -2.855 1.00 0.00 C ATOM 510 O ASN A 35 -1.008 6.990 -2.913 1.00 0.00 O ATOM 511 CB ASN A 35 -2.676 8.745 -4.519 1.00 0.00 C ATOM 512 CG ASN A 35 -3.407 8.110 -5.687 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.589 8.371 -5.910 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.704 7.269 -6.438 1.00 0.00 N ATOM 0 H ASN A 35 -2.029 9.398 -1.872 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.137 7.832 -3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.868 9.818 -4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.602 8.614 -4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.142 6.810 -7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.726 7.082 -6.216 1.00 0.00 H new ATOM 521 N TRP A 36 -2.891 5.823 -2.520 1.00 0.00 N ATOM 522 CA TRP A 36 -2.187 4.588 -2.193 1.00 0.00 C ATOM 523 C TRP A 36 -1.836 3.810 -3.456 1.00 0.00 C ATOM 524 O TRP A 36 -2.678 3.623 -4.336 1.00 0.00 O ATOM 525 CB TRP A 36 -3.040 3.721 -1.265 1.00 0.00 C ATOM 526 CG TRP A 36 -2.936 4.114 0.177 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.867 4.792 0.911 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.838 3.854 1.059 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.414 4.970 2.197 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.173 4.402 2.313 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.607 3.209 0.913 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.319 4.325 3.410 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.239 3.134 2.003 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.120 3.689 3.238 1.00 0.00 C ATOM 0 H TRP A 36 -3.907 5.756 -2.468 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.261 4.852 -1.683 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.082 3.784 -1.577 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.738 2.679 -1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.819 5.138 0.536 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.920 5.447 2.943 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.322 2.777 -0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.593 4.752 4.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.193 2.639 1.901 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.563 3.613 4.071 1.00 0.00 H new ATOM 545 N LEU A 37 -0.589 3.359 -3.541 1.00 0.00 N ATOM 546 CA LEU A 37 -0.127 2.600 -4.698 1.00 0.00 C ATOM 547 C LEU A 37 0.623 1.345 -4.262 1.00 0.00 C ATOM 548 O LEU A 37 1.064 1.240 -3.117 1.00 0.00 O ATOM 549 CB LEU A 37 0.775 3.469 -5.575 1.00 0.00 C ATOM 550 CG LEU A 37 0.126 4.715 -6.179 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.160 5.811 -6.380 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.556 4.375 -7.496 1.00 0.00 C ATOM 0 H LEU A 37 0.120 3.506 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.000 2.296 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.633 3.783 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.159 2.853 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.630 5.081 -5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.680 6.690 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.603 6.074 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.940 5.457 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.013 5.273 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.181 3.985 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.326 3.623 -7.323 1.00 0.00 H new ATOM 564 N ARG A 38 0.766 0.398 -5.182 1.00 0.00 N ATOM 565 CA ARG A 38 1.464 -0.849 -4.893 1.00 0.00 C ATOM 566 C ARG A 38 2.106 -1.418 -6.155 1.00 0.00 C ATOM 567 O ARG A 38 1.415 -1.757 -7.116 1.00 0.00 O ATOM 568 CB ARG A 38 0.498 -1.873 -4.294 1.00 0.00 C ATOM 569 CG ARG A 38 1.172 -3.161 -3.852 1.00 0.00 C ATOM 570 CD ARG A 38 0.273 -3.973 -2.932 1.00 0.00 C ATOM 571 NE ARG A 38 -0.688 -4.779 -3.678 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.752 -5.352 -3.127 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.990 -5.207 -1.830 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.582 -6.071 -3.872 1.00 0.00 N ATOM 0 H ARG A 38 0.408 0.470 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 38 2.251 -0.636 -4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.008 -1.425 -3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.270 -2.109 -5.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.431 -3.756 -4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.104 -2.927 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.886 -4.624 -2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.261 -3.300 -2.261 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.534 -4.910 -4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.355 -4.654 -1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.808 -5.648 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.403 -6.184 -4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.399 -6.510 -3.447 1.00 0.00 H new ATOM 588 N ASP A 39 3.430 -1.519 -6.145 1.00 0.00 N ATOM 589 CA ASP A 39 4.166 -2.047 -7.288 1.00 0.00 C ATOM 590 C ASP A 39 3.952 -1.175 -8.522 1.00 0.00 C ATOM 591 O ASP A 39 4.063 -1.645 -9.653 1.00 0.00 O ATOM 592 CB ASP A 39 3.731 -3.483 -7.582 1.00 0.00 C ATOM 593 CG ASP A 39 4.539 -4.503 -6.804 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.742 -4.658 -7.100 1.00 0.00 O ATOM 595 OD2 ASP A 39 3.967 -5.148 -5.900 1.00 0.00 O ATOM 0 H ASP A 39 4.016 -1.242 -5.358 1.00 0.00 H new ATOM 0 HA ASP A 39 5.227 -2.040 -7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.675 -3.597 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.834 -3.680 -8.649 1.00 0.00 H new ATOM 600 N GLY A 40 3.644 0.098 -8.294 1.00 0.00 N ATOM 601 CA GLY A 40 3.418 1.015 -9.396 1.00 0.00 C ATOM 602 C GLY A 40 2.008 0.924 -9.947 1.00 0.00 C ATOM 603 O GLY A 40 1.811 0.844 -11.159 1.00 0.00 O ATOM 0 H GLY A 40 3.547 0.511 -7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.609 2.035 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.131 0.803 -10.193 1.00 0.00 H new ATOM 607 N VAL A 41 1.024 0.935 -9.053 1.00 0.00 N ATOM 608 CA VAL A 41 -0.375 0.852 -9.456 1.00 0.00 C ATOM 609 C VAL A 41 -1.301 1.221 -8.303 1.00 0.00 C ATOM 610 O VAL A 41 -0.989 0.970 -7.139 1.00 0.00 O ATOM 611 CB VAL A 41 -0.733 -0.560 -9.956 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.882 -1.519 -8.785 1.00 0.00 C ATOM 613 CG2 VAL A 41 -2.003 -0.523 -10.791 1.00 0.00 C ATOM 0 H VAL A 41 1.170 1.001 -8.046 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.512 1.563 -10.271 1.00 0.00 H new ATOM 0 HB VAL A 41 0.079 -0.920 -10.588 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.135 -2.512 -9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.056 -1.567 -8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.674 -1.167 -8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.241 -1.529 -11.136 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.826 -0.143 -10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.854 0.130 -11.651 1.00 0.00 H new ATOM 623 N GLN A 42 -2.442 1.817 -8.635 1.00 0.00 N ATOM 624 CA GLN A 42 -3.414 2.221 -7.626 1.00 0.00 C ATOM 625 C GLN A 42 -3.772 1.051 -6.716 1.00 0.00 C ATOM 626 O GLN A 42 -4.057 -0.051 -7.187 1.00 0.00 O ATOM 627 CB GLN A 42 -4.677 2.768 -8.295 1.00 0.00 C ATOM 628 CG GLN A 42 -5.737 3.229 -7.307 1.00 0.00 C ATOM 629 CD GLN A 42 -5.570 4.682 -6.909 1.00 0.00 C ATOM 630 OE1 GLN A 42 -4.549 4.964 -6.108 1.00 0.00 O flip ATOM 631 NE2 GLN A 42 -6.351 5.543 -7.317 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.716 2.031 -9.594 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.964 3.006 -7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.404 3.604 -8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.102 1.996 -8.937 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.724 3.088 -7.747 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.693 2.604 -6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.122 5.282 -7.931 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.226 6.517 -7.041 1.00 0.00 H new ATOM 640 N LEU A 43 -3.756 1.296 -5.411 1.00 0.00 N ATOM 641 CA LEU A 43 -4.079 0.262 -4.434 1.00 0.00 C ATOM 642 C LEU A 43 -5.587 0.159 -4.229 1.00 0.00 C ATOM 643 O LEU A 43 -6.307 1.150 -4.338 1.00 0.00 O ATOM 644 CB LEU A 43 -3.391 0.560 -3.100 1.00 0.00 C ATOM 645 CG LEU A 43 -3.472 -0.540 -2.042 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.936 -1.852 -2.594 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.709 -0.134 -0.790 1.00 0.00 C ATOM 0 H LEU A 43 -3.523 2.202 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.717 -0.692 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.340 0.771 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.827 1.469 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.519 -0.683 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.002 -2.623 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.526 -2.151 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.895 -1.724 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.778 -0.929 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.662 0.038 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.139 0.781 -0.382 1.00 0.00 H new ATOM 659 N ALA A 44 -6.056 -1.048 -3.929 1.00 0.00 N ATOM 660 CA ALA A 44 -7.477 -1.280 -3.704 1.00 0.00 C ATOM 661 C ALA A 44 -7.715 -1.986 -2.373 1.00 0.00 C ATOM 662 O ALA A 44 -6.874 -2.756 -1.911 1.00 0.00 O ATOM 663 CB ALA A 44 -8.067 -2.093 -4.847 1.00 0.00 C ATOM 0 H ALA A 44 -5.473 -1.880 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.976 -0.311 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.129 -2.259 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.939 -1.550 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.556 -3.054 -4.912 1.00 0.00 H new ATOM 669 N GLU A 45 -8.865 -1.717 -1.763 1.00 0.00 N ATOM 670 CA GLU A 45 -9.210 -2.326 -0.484 1.00 0.00 C ATOM 671 C GLU A 45 -10.155 -3.508 -0.682 1.00 0.00 C ATOM 672 O GLU A 45 -10.781 -3.647 -1.732 1.00 0.00 O ATOM 673 CB GLU A 45 -9.856 -1.292 0.441 1.00 0.00 C ATOM 674 CG GLU A 45 -9.354 0.124 0.216 1.00 0.00 C ATOM 675 CD GLU A 45 -10.295 1.173 0.775 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.000 0.873 1.761 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.327 2.294 0.225 1.00 0.00 O ATOM 0 H GLU A 45 -9.572 -1.082 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.291 -2.690 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.936 -1.313 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.667 -1.575 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.374 0.236 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.221 0.293 -0.853 1.00 0.00 H new ATOM 684 N SER A 46 -10.250 -4.359 0.336 1.00 0.00 N ATOM 685 CA SER A 46 -11.114 -5.532 0.273 1.00 0.00 C ATOM 686 C SER A 46 -11.391 -6.078 1.670 1.00 0.00 C ATOM 687 O SER A 46 -10.913 -5.537 2.666 1.00 0.00 O ATOM 688 CB SER A 46 -10.473 -6.617 -0.594 1.00 0.00 C ATOM 689 OG SER A 46 -9.259 -7.074 -0.024 1.00 0.00 O ATOM 0 H SER A 46 -9.739 -4.258 1.213 1.00 0.00 H new ATOM 0 HA SER A 46 -12.061 -5.232 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.163 -7.453 -0.705 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.284 -6.224 -1.593 1.00 0.00 H new ATOM 0 HG SER A 46 -8.870 -7.768 -0.596 1.00 0.00 H new ATOM 695 N ASN A 47 -12.167 -7.155 1.734 1.00 0.00 N ATOM 696 CA ASN A 47 -12.509 -7.776 3.009 1.00 0.00 C ATOM 697 C ASN A 47 -11.307 -7.786 3.949 1.00 0.00 C ATOM 698 O ASN A 47 -11.456 -7.667 5.165 1.00 0.00 O ATOM 699 CB ASN A 47 -13.008 -9.205 2.787 1.00 0.00 C ATOM 700 CG ASN A 47 -14.226 -9.258 1.884 1.00 0.00 C ATOM 701 OD1 ASN A 47 -14.726 -8.226 1.438 1.00 0.00 O ATOM 702 ND2 ASN A 47 -14.708 -10.465 1.612 1.00 0.00 N ATOM 0 H ASN A 47 -12.571 -7.616 0.919 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.303 -7.188 3.469 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.208 -9.802 2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.252 -9.655 3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.526 -10.564 1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.260 -11.293 2.004 1.00 0.00 H new ATOM 709 N ARG A 48 -10.116 -7.928 3.376 1.00 0.00 N ATOM 710 CA ARG A 48 -8.888 -7.954 4.163 1.00 0.00 C ATOM 711 C ARG A 48 -8.215 -6.585 4.165 1.00 0.00 C ATOM 712 O ARG A 48 -8.036 -5.971 5.218 1.00 0.00 O ATOM 713 CB ARG A 48 -7.925 -9.006 3.610 1.00 0.00 C ATOM 714 CG ARG A 48 -8.428 -10.432 3.763 1.00 0.00 C ATOM 715 CD ARG A 48 -7.406 -11.440 3.263 1.00 0.00 C ATOM 716 NE ARG A 48 -7.225 -11.365 1.815 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.589 -12.289 1.105 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.077 -13.355 1.704 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.466 -12.150 -0.209 1.00 0.00 N ATOM 0 H ARG A 48 -9.975 -8.027 2.371 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.149 -8.213 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.747 -8.804 2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.966 -8.911 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.652 -10.629 4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.359 -10.552 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.451 -11.263 3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.725 -12.446 3.537 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.608 -10.558 1.323 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.171 -13.467 2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.589 -14.063 1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.860 -11.333 -0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.977 -12.861 -0.753 1.00 0.00 H new ATOM 733 N THR A 49 -7.844 -6.111 2.980 1.00 0.00 N ATOM 734 CA THR A 49 -7.190 -4.816 2.845 1.00 0.00 C ATOM 735 C THR A 49 -8.137 -3.680 3.215 1.00 0.00 C ATOM 736 O THR A 49 -9.313 -3.696 2.850 1.00 0.00 O ATOM 737 CB THR A 49 -6.675 -4.593 1.411 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.909 -5.725 0.984 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.820 -3.337 1.332 1.00 0.00 C ATOM 0 H THR A 49 -7.986 -6.605 2.099 1.00 0.00 H new ATOM 0 HA THR A 49 -6.343 -4.817 3.531 1.00 0.00 H new ATOM 0 HB THR A 49 -7.536 -4.469 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.587 -5.576 0.071 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.468 -3.200 0.310 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.414 -2.473 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.965 -3.437 2.000 1.00 0.00 H new ATOM 747 N ARG A 50 -7.618 -2.695 3.940 1.00 0.00 N ATOM 748 CA ARG A 50 -8.418 -1.551 4.359 1.00 0.00 C ATOM 749 C ARG A 50 -7.605 -0.262 4.284 1.00 0.00 C ATOM 750 O ARG A 50 -6.672 -0.059 5.061 1.00 0.00 O ATOM 751 CB ARG A 50 -8.935 -1.758 5.784 1.00 0.00 C ATOM 752 CG ARG A 50 -9.548 -0.509 6.397 1.00 0.00 C ATOM 753 CD ARG A 50 -10.945 -0.251 5.856 1.00 0.00 C ATOM 754 NE ARG A 50 -11.680 0.710 6.675 1.00 0.00 N ATOM 755 CZ ARG A 50 -12.115 0.448 7.902 1.00 0.00 C ATOM 756 NH1 ARG A 50 -11.889 -0.738 8.450 1.00 0.00 N ATOM 757 NH2 ARG A 50 -12.777 1.373 8.585 1.00 0.00 N ATOM 0 H ARG A 50 -6.647 -2.666 4.250 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.267 -1.465 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.680 -2.553 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.112 -2.096 6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.591 -0.618 7.481 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.911 0.350 6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.875 0.122 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.497 -1.190 5.815 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.869 1.632 6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.380 -1.452 7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.224 -0.936 9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.953 2.287 8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.110 1.170 9.527 1.00 0.00 H new ATOM 771 N ILE A 51 -7.966 0.605 3.344 1.00 0.00 N ATOM 772 CA ILE A 51 -7.271 1.874 3.168 1.00 0.00 C ATOM 773 C ILE A 51 -8.025 3.013 3.845 1.00 0.00 C ATOM 774 O ILE A 51 -9.019 3.515 3.318 1.00 0.00 O ATOM 775 CB ILE A 51 -7.084 2.212 1.677 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.189 1.170 1.003 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.495 3.605 1.519 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.355 1.111 -0.499 1.00 0.00 C ATOM 0 H ILE A 51 -8.736 0.452 2.693 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.291 1.763 3.633 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.060 2.194 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.148 1.392 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.408 0.188 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.369 3.829 0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.167 4.337 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.526 3.649 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.690 0.351 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.387 0.859 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.107 2.081 -0.931 1.00 0.00 H new ATOM 790 N THR A 52 -7.546 3.419 5.017 1.00 0.00 N ATOM 791 CA THR A 52 -8.174 4.499 5.767 1.00 0.00 C ATOM 792 C THR A 52 -7.664 5.859 5.303 1.00 0.00 C ATOM 793 O THR A 52 -7.835 6.864 5.992 1.00 0.00 O ATOM 794 CB THR A 52 -7.919 4.356 7.279 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.511 4.302 7.535 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.588 3.103 7.824 1.00 0.00 C ATOM 0 H THR A 52 -6.724 3.015 5.467 1.00 0.00 H new ATOM 0 HA THR A 52 -9.246 4.432 5.580 1.00 0.00 H new ATOM 0 HB THR A 52 -8.346 5.224 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.153 3.447 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.394 3.023 8.894 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.663 3.161 7.653 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.187 2.226 7.316 1.00 0.00 H new ATOM 804 N GLY A 53 -7.037 5.883 4.131 1.00 0.00 N ATOM 805 CA GLY A 53 -6.512 7.126 3.596 1.00 0.00 C ATOM 806 C GLY A 53 -5.006 7.224 3.730 1.00 0.00 C ATOM 807 O GLY A 53 -4.289 7.274 2.731 1.00 0.00 O ATOM 0 H GLY A 53 -6.883 5.064 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.786 7.210 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.975 7.966 4.114 1.00 0.00 H new ATOM 811 N GLU A 54 -4.524 7.254 4.969 1.00 0.00 N ATOM 812 CA GLU A 54 -3.093 7.350 5.230 1.00 0.00 C ATOM 813 C GLU A 54 -2.593 6.122 5.985 1.00 0.00 C ATOM 814 O GLU A 54 -1.409 6.015 6.301 1.00 0.00 O ATOM 815 CB GLU A 54 -2.781 8.617 6.030 1.00 0.00 C ATOM 816 CG GLU A 54 -2.817 8.410 7.535 1.00 0.00 C ATOM 817 CD GLU A 54 -2.837 9.717 8.303 1.00 0.00 C ATOM 818 OE1 GLU A 54 -3.942 10.235 8.566 1.00 0.00 O ATOM 819 OE2 GLU A 54 -1.746 10.222 8.641 1.00 0.00 O ATOM 0 H GLU A 54 -5.104 7.213 5.807 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.578 7.399 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.794 8.983 5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.498 9.392 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.699 7.826 7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.947 7.828 7.839 1.00 0.00 H new ATOM 826 N GLU A 55 -3.506 5.199 6.272 1.00 0.00 N ATOM 827 CA GLU A 55 -3.159 3.980 6.992 1.00 0.00 C ATOM 828 C GLU A 55 -3.813 2.762 6.346 1.00 0.00 C ATOM 829 O GLU A 55 -5.037 2.679 6.249 1.00 0.00 O ATOM 830 CB GLU A 55 -3.588 4.086 8.457 1.00 0.00 C ATOM 831 CG GLU A 55 -2.557 4.760 9.346 1.00 0.00 C ATOM 832 CD GLU A 55 -2.986 4.814 10.800 1.00 0.00 C ATOM 833 OE1 GLU A 55 -2.944 3.761 11.470 1.00 0.00 O ATOM 834 OE2 GLU A 55 -3.362 5.909 11.266 1.00 0.00 O ATOM 0 H GLU A 55 -4.491 5.273 6.017 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.077 3.857 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.523 4.643 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.789 3.086 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.611 4.224 9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.379 5.773 8.986 1.00 0.00 H new ATOM 841 N VAL A 56 -2.987 1.818 5.905 1.00 0.00 N ATOM 842 CA VAL A 56 -3.483 0.604 5.268 1.00 0.00 C ATOM 843 C VAL A 56 -3.515 -0.559 6.253 1.00 0.00 C ATOM 844 O VAL A 56 -2.594 -0.735 7.050 1.00 0.00 O ATOM 845 CB VAL A 56 -2.619 0.212 4.055 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.042 -1.144 3.513 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.704 1.279 2.974 1.00 0.00 C ATOM 0 H VAL A 56 -1.971 1.871 5.977 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.496 0.817 4.928 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.581 0.138 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.420 -1.404 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.923 -1.899 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.086 -1.103 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.088 0.986 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.739 1.388 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.346 2.229 3.371 1.00 0.00 H new ATOM 857 N GLU A 57 -4.581 -1.351 6.192 1.00 0.00 N ATOM 858 CA GLU A 57 -4.732 -2.498 7.079 1.00 0.00 C ATOM 859 C GLU A 57 -5.260 -3.710 6.317 1.00 0.00 C ATOM 860 O GLU A 57 -6.378 -3.693 5.801 1.00 0.00 O ATOM 861 CB GLU A 57 -5.676 -2.157 8.234 1.00 0.00 C ATOM 862 CG GLU A 57 -5.795 -3.262 9.269 1.00 0.00 C ATOM 863 CD GLU A 57 -6.789 -2.930 10.365 1.00 0.00 C ATOM 864 OE1 GLU A 57 -8.008 -2.977 10.095 1.00 0.00 O ATOM 865 OE2 GLU A 57 -6.349 -2.623 11.493 1.00 0.00 O ATOM 0 H GLU A 57 -5.352 -1.219 5.538 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.750 -2.744 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.324 -1.249 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.665 -1.940 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.099 -4.185 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.817 -3.445 9.714 1.00 0.00 H new ATOM 872 N VAL A 58 -4.448 -4.760 6.251 1.00 0.00 N ATOM 873 CA VAL A 58 -4.833 -5.981 5.552 1.00 0.00 C ATOM 874 C VAL A 58 -4.818 -7.180 6.494 1.00 0.00 C ATOM 875 O VAL A 58 -3.768 -7.563 7.009 1.00 0.00 O ATOM 876 CB VAL A 58 -3.899 -6.265 4.362 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.489 -7.342 3.464 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.636 -4.990 3.575 1.00 0.00 C ATOM 0 H VAL A 58 -3.520 -4.790 6.673 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.846 -5.827 5.180 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.948 -6.629 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.814 -7.529 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.621 -8.260 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.455 -7.009 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.974 -5.209 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.579 -4.594 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.166 -4.252 4.225 1.00 0.00 H new ATOM 888 N GLN A 59 -5.989 -7.769 6.713 1.00 0.00 N ATOM 889 CA GLN A 59 -6.110 -8.925 7.592 1.00 0.00 C ATOM 890 C GLN A 59 -5.693 -10.203 6.872 1.00 0.00 C ATOM 891 O GLN A 59 -5.876 -10.333 5.662 1.00 0.00 O ATOM 892 CB GLN A 59 -7.547 -9.058 8.101 1.00 0.00 C ATOM 893 CG GLN A 59 -8.030 -7.846 8.881 1.00 0.00 C ATOM 894 CD GLN A 59 -9.497 -7.938 9.251 1.00 0.00 C ATOM 895 OE1 GLN A 59 -10.038 -9.031 9.427 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.151 -6.789 9.373 1.00 0.00 N ATOM 0 H GLN A 59 -6.867 -7.464 6.294 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.444 -8.774 8.441 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.211 -9.222 7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.619 -9.941 8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.436 -7.742 9.789 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.864 -6.947 8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.664 -5.906 9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.140 -6.789 9.621 1.00 0.00 H new ATOM 905 N ASP A 60 -5.131 -11.144 7.624 1.00 0.00 N ATOM 906 CA ASP A 60 -4.689 -12.412 7.057 1.00 0.00 C ATOM 907 C ASP A 60 -3.755 -12.182 5.872 1.00 0.00 C ATOM 908 O ASP A 60 -3.809 -12.905 4.877 1.00 0.00 O ATOM 909 CB ASP A 60 -5.893 -13.247 6.619 1.00 0.00 C ATOM 910 CG ASP A 60 -5.624 -14.737 6.700 1.00 0.00 C ATOM 911 OD1 ASP A 60 -5.582 -15.272 7.828 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.457 -15.368 5.636 1.00 0.00 O ATOM 0 H ASP A 60 -4.971 -11.052 8.627 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.142 -12.955 7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.750 -13.001 7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.161 -12.984 5.596 1.00 0.00 H new ATOM 917 N SER A 61 -2.902 -11.170 5.986 1.00 0.00 N ATOM 918 CA SER A 61 -1.960 -10.841 4.922 1.00 0.00 C ATOM 919 C SER A 61 -1.421 -12.107 4.264 1.00 0.00 C ATOM 920 O SER A 61 -1.438 -13.186 4.857 1.00 0.00 O ATOM 921 CB SER A 61 -0.802 -10.008 5.477 1.00 0.00 C ATOM 922 OG SER A 61 0.042 -10.793 6.302 1.00 0.00 O ATOM 0 H SER A 61 -2.843 -10.563 6.804 1.00 0.00 H new ATOM 0 HA SER A 61 -2.489 -10.258 4.169 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.224 -9.590 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.196 -9.168 6.049 1.00 0.00 H new ATOM 0 HG SER A 61 0.775 -10.238 6.642 1.00 0.00 H new ATOM 928 N VAL A 62 -0.941 -11.967 3.032 1.00 0.00 N ATOM 929 CA VAL A 62 -0.396 -13.098 2.291 1.00 0.00 C ATOM 930 C VAL A 62 0.835 -12.689 1.490 1.00 0.00 C ATOM 931 O VAL A 62 1.080 -11.508 1.241 1.00 0.00 O ATOM 932 CB VAL A 62 -1.442 -13.699 1.333 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.195 -14.834 2.009 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.402 -12.623 0.851 1.00 0.00 C ATOM 0 H VAL A 62 -0.919 -11.081 2.526 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.113 -13.851 3.027 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.924 -14.106 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.930 -15.246 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.492 -15.615 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.704 -14.456 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.134 -13.065 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.916 -12.184 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.845 -11.847 0.325 1.00 0.00 H new ATOM 944 N PRO A 63 1.630 -13.686 1.074 1.00 0.00 N ATOM 945 CA PRO A 63 2.849 -13.454 0.294 1.00 0.00 C ATOM 946 C PRO A 63 2.548 -12.973 -1.122 1.00 0.00 C ATOM 947 O PRO A 63 3.456 -12.791 -1.932 1.00 0.00 O ATOM 948 CB PRO A 63 3.515 -14.831 0.260 1.00 0.00 C ATOM 949 CG PRO A 63 2.396 -15.799 0.439 1.00 0.00 C ATOM 950 CD PRO A 63 1.399 -15.117 1.334 1.00 0.00 C ATOM 0 HA PRO A 63 3.472 -12.675 0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.034 -14.996 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.256 -14.932 1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.947 -16.058 -0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.751 -16.728 0.886 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.377 -15.409 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.563 -15.367 2.382 1.00 0.00 H new ATOM 958 N ALA A 64 1.267 -12.768 -1.412 1.00 0.00 N ATOM 959 CA ALA A 64 0.847 -12.305 -2.729 1.00 0.00 C ATOM 960 C ALA A 64 0.510 -10.818 -2.707 1.00 0.00 C ATOM 961 O ALA A 64 0.590 -10.138 -3.730 1.00 0.00 O ATOM 962 CB ALA A 64 -0.347 -13.112 -3.217 1.00 0.00 C ATOM 0 H ALA A 64 0.503 -12.915 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 64 1.677 -12.452 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.650 -12.755 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.073 -14.165 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.175 -12.995 -2.518 1.00 0.00 H new ATOM 968 N ASP A 65 0.131 -10.320 -1.535 1.00 0.00 N ATOM 969 CA ASP A 65 -0.219 -8.913 -1.380 1.00 0.00 C ATOM 970 C ASP A 65 1.030 -8.062 -1.170 1.00 0.00 C ATOM 971 O ASP A 65 1.031 -6.864 -1.449 1.00 0.00 O ATOM 972 CB ASP A 65 -1.179 -8.731 -0.203 1.00 0.00 C ATOM 973 CG ASP A 65 -2.386 -9.644 -0.294 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.766 -10.014 -1.424 1.00 0.00 O ATOM 975 OD2 ASP A 65 -2.951 -9.989 0.766 1.00 0.00 O ATOM 0 H ASP A 65 0.058 -10.870 -0.679 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.711 -8.584 -2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.648 -8.927 0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.513 -7.694 -0.167 1.00 0.00 H new ATOM 980 N SER A 66 2.091 -8.691 -0.675 1.00 0.00 N ATOM 981 CA SER A 66 3.345 -7.991 -0.423 1.00 0.00 C ATOM 982 C SER A 66 3.762 -7.168 -1.638 1.00 0.00 C ATOM 983 O SER A 66 3.147 -7.254 -2.700 1.00 0.00 O ATOM 984 CB SER A 66 4.448 -8.989 -0.065 1.00 0.00 C ATOM 985 OG SER A 66 4.723 -9.856 -1.152 1.00 0.00 O ATOM 0 H SER A 66 2.107 -9.684 -0.441 1.00 0.00 H new ATOM 0 HA SER A 66 3.192 -7.314 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.354 -8.450 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.146 -9.574 0.804 1.00 0.00 H new ATOM 0 HG SER A 66 5.432 -10.483 -0.899 1.00 0.00 H new ATOM 991 N GLY A 67 4.813 -6.371 -1.473 1.00 0.00 N ATOM 992 CA GLY A 67 5.296 -5.544 -2.563 1.00 0.00 C ATOM 993 C GLY A 67 5.836 -4.211 -2.085 1.00 0.00 C ATOM 994 O GLY A 67 6.245 -4.076 -0.931 1.00 0.00 O ATOM 0 H GLY A 67 5.339 -6.283 -0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.080 -6.078 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.485 -5.371 -3.271 1.00 0.00 H new ATOM 998 N LEU A 68 5.840 -3.223 -2.973 1.00 0.00 N ATOM 999 CA LEU A 68 6.337 -1.893 -2.636 1.00 0.00 C ATOM 1000 C LEU A 68 5.209 -0.866 -2.669 1.00 0.00 C ATOM 1001 O LEU A 68 4.835 -0.373 -3.734 1.00 0.00 O ATOM 1002 CB LEU A 68 7.446 -1.480 -3.605 1.00 0.00 C ATOM 1003 CG LEU A 68 8.107 -0.129 -3.332 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.886 -0.170 -2.027 1.00 0.00 C ATOM 1005 CD2 LEU A 68 9.018 0.262 -4.487 1.00 0.00 C ATOM 0 H LEU A 68 5.505 -3.317 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 68 6.742 -1.929 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.218 -2.249 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.032 -1.462 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 68 7.325 0.625 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.350 0.800 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.208 -0.404 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.659 -0.936 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.480 1.226 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.794 -0.493 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.433 0.333 -5.404 1.00 0.00 H new ATOM 1017 N TYR A 69 4.672 -0.547 -1.497 1.00 0.00 N ATOM 1018 CA TYR A 69 3.587 0.421 -1.391 1.00 0.00 C ATOM 1019 C TYR A 69 4.120 1.848 -1.472 1.00 0.00 C ATOM 1020 O TYR A 69 5.188 2.154 -0.942 1.00 0.00 O ATOM 1021 CB TYR A 69 2.825 0.223 -0.080 1.00 0.00 C ATOM 1022 CG TYR A 69 2.146 -1.124 0.029 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.885 -2.283 0.227 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.764 -1.236 -0.066 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.268 -3.515 0.325 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.139 -2.464 0.033 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.895 -3.601 0.228 1.00 0.00 C ATOM 1028 OH TYR A 69 0.277 -4.826 0.327 1.00 0.00 O ATOM 0 H TYR A 69 4.970 -0.945 -0.606 1.00 0.00 H new ATOM 0 HA TYR A 69 2.907 0.259 -2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.517 0.340 0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.074 1.008 0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.960 -2.220 0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.169 -0.348 -0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.858 -4.407 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.936 -2.533 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 69 0.662 -5.441 -0.332 1.00 0.00 H new ATOM 1038 N ALA A 70 3.368 2.717 -2.139 1.00 0.00 N ATOM 1039 CA ALA A 70 3.762 4.112 -2.288 1.00 0.00 C ATOM 1040 C ALA A 70 2.564 5.041 -2.125 1.00 0.00 C ATOM 1041 O ALA A 70 1.628 5.011 -2.924 1.00 0.00 O ATOM 1042 CB ALA A 70 4.423 4.332 -3.641 1.00 0.00 C ATOM 0 H ALA A 70 2.482 2.479 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 70 4.480 4.347 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.712 5.378 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.309 3.702 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.722 4.074 -4.435 1.00 0.00 H new ATOM 1048 N CYS A 71 2.598 5.866 -1.084 1.00 0.00 N ATOM 1049 CA CYS A 71 1.515 6.804 -0.814 1.00 0.00 C ATOM 1050 C CYS A 71 1.851 8.192 -1.351 1.00 0.00 C ATOM 1051 O CYS A 71 2.903 8.752 -1.041 1.00 0.00 O ATOM 1052 CB CYS A 71 1.240 6.879 0.689 1.00 0.00 C ATOM 1053 SG CYS A 71 2.325 8.034 1.587 1.00 0.00 S ATOM 0 H CYS A 71 3.365 5.904 -0.413 1.00 0.00 H new ATOM 0 HA CYS A 71 0.621 6.444 -1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.203 7.177 0.843 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.353 5.883 1.118 1.00 0.00 H new ATOM 1058 N VAL A 72 0.950 8.743 -2.157 1.00 0.00 N ATOM 1059 CA VAL A 72 1.149 10.067 -2.736 1.00 0.00 C ATOM 1060 C VAL A 72 0.067 11.037 -2.275 1.00 0.00 C ATOM 1061 O VAL A 72 -1.124 10.797 -2.474 1.00 0.00 O ATOM 1062 CB VAL A 72 1.152 10.011 -4.275 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.639 11.330 -4.857 1.00 0.00 C ATOM 1064 CG2 VAL A 72 2.009 8.854 -4.765 1.00 0.00 C ATOM 0 H VAL A 72 0.074 8.293 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 72 2.120 10.421 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 72 0.130 9.846 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.634 11.271 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.980 12.136 -4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.653 11.529 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.999 8.830 -5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.033 8.985 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.610 7.916 -4.378 1.00 0.00 H new ATOM 1074 N THR A 73 0.490 12.136 -1.658 1.00 0.00 N ATOM 1075 CA THR A 73 -0.442 13.144 -1.168 1.00 0.00 C ATOM 1076 C THR A 73 -0.457 14.368 -2.077 1.00 0.00 C ATOM 1077 O THR A 73 0.594 14.865 -2.482 1.00 0.00 O ATOM 1078 CB THR A 73 -0.090 13.586 0.264 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.158 14.289 0.267 1.00 0.00 O ATOM 1080 CG2 THR A 73 -0.003 12.386 1.195 1.00 0.00 C ATOM 0 H THR A 73 1.472 12.351 -1.486 1.00 0.00 H new ATOM 0 HA THR A 73 -1.431 12.685 -1.166 1.00 0.00 H new ATOM 0 HB THR A 73 -0.880 14.247 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.299 14.709 -0.607 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.247 12.723 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.963 11.869 1.213 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.769 11.704 0.839 1.00 0.00 H new ATOM 1088 N SER A 74 -1.655 14.850 -2.394 1.00 0.00 N ATOM 1089 CA SER A 74 -1.806 16.015 -3.257 1.00 0.00 C ATOM 1090 C SER A 74 -1.975 17.286 -2.431 1.00 0.00 C ATOM 1091 O SER A 74 -3.038 17.532 -1.861 1.00 0.00 O ATOM 1092 CB SER A 74 -3.007 15.834 -4.188 1.00 0.00 C ATOM 1093 OG SER A 74 -2.857 14.679 -4.995 1.00 0.00 O ATOM 0 H SER A 74 -2.535 14.451 -2.066 1.00 0.00 H new ATOM 0 HA SER A 74 -0.901 16.111 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.920 15.753 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.115 16.714 -4.823 1.00 0.00 H new ATOM 0 HG SER A 74 -3.638 14.585 -5.580 1.00 0.00 H new ATOM 1153 N ASP A 80 4.086 14.879 -2.181 1.00 0.00 N ATOM 1154 CA ASP A 80 5.051 14.014 -1.512 1.00 0.00 C ATOM 1155 C ASP A 80 4.787 12.548 -1.843 1.00 0.00 C ATOM 1156 O ASP A 80 3.746 12.203 -2.403 1.00 0.00 O ATOM 1157 CB ASP A 80 4.996 14.226 0.001 1.00 0.00 C ATOM 1158 CG ASP A 80 6.340 14.007 0.666 1.00 0.00 C ATOM 1159 OD1 ASP A 80 6.717 12.834 0.871 1.00 0.00 O ATOM 1160 OD2 ASP A 80 7.016 15.009 0.981 1.00 0.00 O ATOM 0 HA ASP A 80 6.046 14.276 -1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.651 15.239 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.264 13.544 0.434 1.00 0.00 H new ATOM 1165 N THR A 81 5.739 11.687 -1.493 1.00 0.00 N ATOM 1166 CA THR A 81 5.611 10.259 -1.755 1.00 0.00 C ATOM 1167 C THR A 81 6.363 9.440 -0.712 1.00 0.00 C ATOM 1168 O THR A 81 7.524 9.715 -0.410 1.00 0.00 O ATOM 1169 CB THR A 81 6.138 9.895 -3.155 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.619 10.809 -4.127 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.746 8.473 -3.528 1.00 0.00 C ATOM 0 H THR A 81 6.606 11.954 -1.028 1.00 0.00 H new ATOM 0 HA THR A 81 4.548 10.022 -1.703 1.00 0.00 H new ATOM 0 HB THR A 81 7.226 9.963 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.960 10.571 -5.014 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.129 8.239 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.168 7.777 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.660 8.383 -3.528 1.00 0.00 H new ATOM 1179 N THR A 82 5.693 8.430 -0.164 1.00 0.00 N ATOM 1180 CA THR A 82 6.298 7.571 0.846 1.00 0.00 C ATOM 1181 C THR A 82 6.224 6.104 0.436 1.00 0.00 C ATOM 1182 O THR A 82 5.142 5.577 0.175 1.00 0.00 O ATOM 1183 CB THR A 82 5.614 7.745 2.215 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.254 9.117 2.412 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.531 7.289 3.340 1.00 0.00 C ATOM 0 H THR A 82 4.732 8.187 -0.403 1.00 0.00 H new ATOM 0 HA THR A 82 7.343 7.870 0.930 1.00 0.00 H new ATOM 0 HB THR A 82 4.715 7.129 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.297 9.233 2.234 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.026 7.421 4.297 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.779 6.236 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.445 7.882 3.327 1.00 0.00 H new ATOM 1193 N TYR A 83 7.379 5.451 0.382 1.00 0.00 N ATOM 1194 CA TYR A 83 7.445 4.045 0.002 1.00 0.00 C ATOM 1195 C TYR A 83 7.421 3.146 1.234 1.00 0.00 C ATOM 1196 O TYR A 83 7.728 3.584 2.343 1.00 0.00 O ATOM 1197 CB TYR A 83 8.708 3.774 -0.816 1.00 0.00 C ATOM 1198 CG TYR A 83 8.736 4.497 -2.144 1.00 0.00 C ATOM 1199 CD1 TYR A 83 9.074 5.843 -2.219 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.426 3.833 -3.325 1.00 0.00 C ATOM 1201 CE1 TYR A 83 9.100 6.507 -3.429 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.451 4.489 -4.541 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.788 5.826 -4.588 1.00 0.00 C ATOM 1204 OH TYR A 83 8.814 6.483 -5.796 1.00 0.00 O ATOM 0 H TYR A 83 8.283 5.873 0.597 1.00 0.00 H new ATOM 0 HA TYR A 83 6.570 3.819 -0.608 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.579 4.070 -0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.793 2.702 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.321 6.379 -1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.161 2.787 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.363 7.554 -3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.208 3.958 -5.450 1.00 0.00 H new ATOM 0 HH TYR A 83 8.571 5.860 -6.512 1.00 0.00 H new ATOM 1214 N PHE A 84 7.054 1.885 1.031 1.00 0.00 N ATOM 1215 CA PHE A 84 6.989 0.922 2.125 1.00 0.00 C ATOM 1216 C PHE A 84 7.245 -0.494 1.618 1.00 0.00 C ATOM 1217 O PHE A 84 6.411 -1.077 0.924 1.00 0.00 O ATOM 1218 CB PHE A 84 5.624 0.991 2.813 1.00 0.00 C ATOM 1219 CG PHE A 84 5.156 2.394 3.077 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.483 3.108 2.099 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.389 2.997 4.302 1.00 0.00 C ATOM 1222 CE1 PHE A 84 4.052 4.400 2.339 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.960 4.288 4.547 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.289 4.989 3.565 1.00 0.00 C ATOM 0 H PHE A 84 6.797 1.506 0.120 1.00 0.00 H new ATOM 0 HA PHE A 84 7.765 1.176 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.887 0.481 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.674 0.449 3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.293 2.651 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.912 2.452 5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.530 4.948 1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.150 4.748 5.506 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.950 5.997 3.756 1.00 0.00 H new ATOM 1234 N SER A 85 8.404 -1.042 1.970 1.00 0.00 N ATOM 1235 CA SER A 85 8.772 -2.388 1.548 1.00 0.00 C ATOM 1236 C SER A 85 8.144 -3.436 2.462 1.00 0.00 C ATOM 1237 O SER A 85 8.549 -3.594 3.614 1.00 0.00 O ATOM 1238 CB SER A 85 10.294 -2.546 1.543 1.00 0.00 C ATOM 1239 OG SER A 85 10.666 -3.913 1.585 1.00 0.00 O ATOM 0 H SER A 85 9.104 -0.574 2.546 1.00 0.00 H new ATOM 0 HA SER A 85 8.394 -2.540 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.708 -2.081 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.720 -2.024 2.400 1.00 0.00 H new ATOM 0 HG SER A 85 11.643 -3.986 1.579 1.00 0.00 H new ATOM 1245 N VAL A 86 7.151 -4.149 1.940 1.00 0.00 N ATOM 1246 CA VAL A 86 6.466 -5.182 2.708 1.00 0.00 C ATOM 1247 C VAL A 86 6.875 -6.575 2.242 1.00 0.00 C ATOM 1248 O VAL A 86 7.194 -6.780 1.071 1.00 0.00 O ATOM 1249 CB VAL A 86 4.937 -5.044 2.596 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.245 -6.257 3.198 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.467 -3.763 3.270 1.00 0.00 C ATOM 0 H VAL A 86 6.803 -4.030 0.989 1.00 0.00 H new ATOM 0 HA VAL A 86 6.760 -5.049 3.749 1.00 0.00 H new ATOM 0 HB VAL A 86 4.671 -4.991 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.165 -6.141 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.558 -7.156 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.515 -6.345 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.384 -3.682 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.744 -3.784 4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.936 -2.905 2.788 1.00 0.00 H new ATOM 1261 N ASN A 87 6.863 -7.530 3.166 1.00 0.00 N ATOM 1262 CA ASN A 87 7.232 -8.905 2.850 1.00 0.00 C ATOM 1263 C ASN A 87 6.454 -9.890 3.716 1.00 0.00 C ATOM 1264 O ASN A 87 6.743 -10.054 4.902 1.00 0.00 O ATOM 1265 CB ASN A 87 8.736 -9.109 3.049 1.00 0.00 C ATOM 1266 CG ASN A 87 9.307 -10.150 2.105 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.717 -9.832 0.989 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.337 -11.400 2.551 1.00 0.00 N ATOM 0 H ASN A 87 6.602 -7.377 4.140 1.00 0.00 H new ATOM 0 HA ASN A 87 6.982 -9.092 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.252 -8.161 2.896 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.926 -9.413 4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.711 -12.143 1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.986 -11.617 3.484 1.00 0.00 H new ATOM 1275 N VAL A 88 5.466 -10.546 3.116 1.00 0.00 N ATOM 1276 CA VAL A 88 4.647 -11.517 3.832 1.00 0.00 C ATOM 1277 C VAL A 88 5.107 -12.942 3.544 1.00 0.00 C ATOM 1278 O VAL A 88 5.095 -13.389 2.397 1.00 0.00 O ATOM 1279 CB VAL A 88 3.160 -11.383 3.455 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.308 -12.318 4.300 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.699 -9.941 3.611 1.00 0.00 C ATOM 0 H VAL A 88 5.213 -10.423 2.136 1.00 0.00 H new ATOM 0 HA VAL A 88 4.765 -11.308 4.895 1.00 0.00 H new ATOM 0 HB VAL A 88 3.041 -11.668 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.260 -12.209 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.623 -13.348 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.429 -12.068 5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.646 -9.864 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.831 -9.627 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.289 -9.298 2.958 1.00 0.00 H new ATOM 1291 N SER A 89 5.510 -13.651 4.593 1.00 0.00 N ATOM 1292 CA SER A 89 5.977 -15.025 4.453 1.00 0.00 C ATOM 1293 C SER A 89 5.999 -15.732 5.805 1.00 0.00 C ATOM 1294 O SER A 89 6.307 -15.124 6.830 1.00 0.00 O ATOM 1295 CB SER A 89 7.374 -15.051 3.829 1.00 0.00 C ATOM 1296 OG SER A 89 7.653 -16.316 3.256 1.00 0.00 O ATOM 0 H SER A 89 5.523 -13.297 5.549 1.00 0.00 H new ATOM 0 HA SER A 89 5.284 -15.552 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.449 -14.278 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.120 -14.820 4.590 1.00 0.00 H new ATOM 0 HG SER A 89 8.550 -16.306 2.863 1.00 0.00 H new ATOM 1302 N ASP A 90 5.670 -17.019 5.798 1.00 0.00 N ATOM 1303 CA ASP A 90 5.653 -17.811 7.022 1.00 0.00 C ATOM 1304 C ASP A 90 7.024 -17.807 7.691 1.00 0.00 C ATOM 1305 O ASP A 90 7.148 -18.116 8.876 1.00 0.00 O ATOM 1306 CB ASP A 90 5.223 -19.247 6.720 1.00 0.00 C ATOM 1307 CG ASP A 90 5.923 -19.817 5.502 1.00 0.00 C ATOM 1308 OD1 ASP A 90 7.151 -20.030 5.570 1.00 0.00 O ATOM 1309 OD2 ASP A 90 5.242 -20.049 4.481 1.00 0.00 O ATOM 0 H ASP A 90 5.411 -17.536 4.958 1.00 0.00 H new ATOM 0 HA ASP A 90 4.934 -17.361 7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.435 -19.876 7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.145 -19.275 6.562 1.00 0.00 H new