USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -91:sc= 1.11 USER MOD Set 1.2: A 97 THR OG1 : rot -167:sc= 1.41 USER MOD Set 2.1: A 32 ASN : amide:sc= -2.65! C(o=-2!,f=-4.6!) USER MOD Set 2.2: A 39 TYR OH : rot -156:sc= 0.601 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 23 SER OG : rot -40:sc= 0.00742! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.14 USER MOD Single : A 25 THR OG1 : rot -160:sc= -0.61 USER MOD Single : A 27 THR OG1 : rot -64:sc= 0.485 USER MOD Single : A 30 SER OG : rot 180:sc= -0.079 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0556 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0674 X(o=-0.067,f=-0.38) USER MOD Single : A 60 THR OG1 : rot 121:sc= 0.0174 USER MOD Single : A 61 THR OG1 : rot 180:sc=0.000231 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 13:sc= 0.226! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.09 K(o=-2.1,f=-12!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 119:sc= 0.691 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 16.521 -15.228 2.541 1.00 0.00 N ATOM 60 CA GLY A 7 16.544 -14.089 1.641 1.00 0.00 C ATOM 61 C GLY A 7 16.822 -12.786 2.363 1.00 0.00 C ATOM 62 O GLY A 7 17.382 -12.766 3.459 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.306 -14.248 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.586 -14.018 1.125 1.00 0.00 H new ATOM 66 N PRO A 8 16.428 -11.665 1.741 1.00 0.00 N ATOM 67 CA PRO A 8 16.629 -10.330 2.312 1.00 0.00 C ATOM 68 C PRO A 8 15.746 -10.082 3.530 1.00 0.00 C ATOM 69 O PRO A 8 14.900 -10.907 3.875 1.00 0.00 O ATOM 70 CB PRO A 8 16.238 -9.392 1.168 1.00 0.00 C ATOM 71 CG PRO A 8 15.294 -10.186 0.332 1.00 0.00 C ATOM 72 CD PRO A 8 15.755 -11.614 0.432 1.00 0.00 C ATOM 0 HA PRO A 8 17.650 -10.188 2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.766 -8.484 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.111 -9.083 0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.270 -10.080 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.306 -9.843 -0.703 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.918 -12.311 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.434 -11.875 -0.379 1.00 0.00 H new ATOM 80 N LYS A 9 15.947 -8.940 4.179 1.00 0.00 N ATOM 81 CA LYS A 9 15.168 -8.581 5.358 1.00 0.00 C ATOM 82 C LYS A 9 14.041 -7.619 4.994 1.00 0.00 C ATOM 83 O LYS A 9 14.139 -6.842 4.045 1.00 0.00 O ATOM 84 CB LYS A 9 16.072 -7.946 6.418 1.00 0.00 C ATOM 85 CG LYS A 9 17.113 -8.899 6.979 1.00 0.00 C ATOM 86 CD LYS A 9 16.494 -9.893 7.948 1.00 0.00 C ATOM 87 CE LYS A 9 16.369 -9.305 9.345 1.00 0.00 C ATOM 88 NZ LYS A 9 17.588 -9.555 10.163 1.00 0.00 N ATOM 0 H LYS A 9 16.644 -8.246 3.908 1.00 0.00 H new ATOM 0 HA LYS A 9 14.728 -9.492 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.578 -7.084 5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.454 -7.574 7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.593 -9.437 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.892 -8.330 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.509 -10.189 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.105 -10.795 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.194 -8.232 9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.502 -9.737 9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.463 -9.139 11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.741 -10.580 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.412 -9.121 9.700 1.00 0.00 H new ATOM 102 N PRO A 10 12.946 -7.671 5.766 1.00 0.00 N ATOM 103 CA PRO A 10 11.780 -6.810 5.544 1.00 0.00 C ATOM 104 C PRO A 10 12.066 -5.350 5.879 1.00 0.00 C ATOM 105 O PRO A 10 12.875 -5.035 6.752 1.00 0.00 O ATOM 106 CB PRO A 10 10.730 -7.382 6.500 1.00 0.00 C ATOM 107 CG PRO A 10 11.519 -8.044 7.577 1.00 0.00 C ATOM 108 CD PRO A 10 12.760 -8.574 6.914 1.00 0.00 C ATOM 0 HA PRO A 10 11.469 -6.806 4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.092 -6.596 6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.078 -8.093 5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.770 -7.337 8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.949 -8.850 8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.617 -8.550 7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.635 -9.609 6.595 1.00 0.00 H new ATOM 116 N PRO A 11 11.388 -4.436 5.169 1.00 0.00 N ATOM 117 CA PRO A 11 11.552 -2.994 5.374 1.00 0.00 C ATOM 118 C PRO A 11 10.978 -2.528 6.708 1.00 0.00 C ATOM 119 O PRO A 11 10.150 -3.213 7.311 1.00 0.00 O ATOM 120 CB PRO A 11 10.770 -2.379 4.211 1.00 0.00 C ATOM 121 CG PRO A 11 9.758 -3.410 3.848 1.00 0.00 C ATOM 122 CD PRO A 11 10.408 -4.739 4.113 1.00 0.00 C ATOM 0 HA PRO A 11 12.602 -2.703 5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.294 -1.443 4.505 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.425 -2.153 3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.852 -3.293 4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.467 -3.320 2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.682 -5.483 4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.890 -5.136 3.219 1.00 0.00 H new ATOM 130 N ILE A 12 11.420 -1.361 7.163 1.00 0.00 N ATOM 131 CA ILE A 12 10.948 -0.805 8.425 1.00 0.00 C ATOM 132 C ILE A 12 10.420 0.614 8.237 1.00 0.00 C ATOM 133 O ILE A 12 10.369 1.125 7.118 1.00 0.00 O ATOM 134 CB ILE A 12 12.064 -0.788 9.486 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.261 0.023 8.986 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.487 -2.208 9.831 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.350 0.194 10.022 1.00 0.00 C ATOM 0 H ILE A 12 12.104 -0.782 6.677 1.00 0.00 H new ATOM 0 HA ILE A 12 10.139 -1.449 8.770 1.00 0.00 H new ATOM 0 HB ILE A 12 11.680 -0.314 10.389 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.680 -0.467 8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.916 1.007 8.668 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.276 -2.180 10.582 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.631 -2.757 10.224 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.857 -2.706 8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.167 0.779 9.598 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.946 0.712 10.892 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.723 -0.785 10.323 1.00 0.00 H new ATOM 149 N ASP A 13 10.030 1.245 9.339 1.00 0.00 N ATOM 150 CA ASP A 13 9.509 2.606 9.296 1.00 0.00 C ATOM 151 C ASP A 13 8.355 2.715 8.304 1.00 0.00 C ATOM 152 O ASP A 13 8.256 3.688 7.556 1.00 0.00 O ATOM 153 CB ASP A 13 10.618 3.588 8.917 1.00 0.00 C ATOM 154 CG ASP A 13 10.395 4.968 9.505 1.00 0.00 C ATOM 155 OD1 ASP A 13 10.338 5.082 10.747 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.279 5.934 8.722 1.00 0.00 O ATOM 0 H ASP A 13 10.065 0.836 10.273 1.00 0.00 H new ATOM 0 HA ASP A 13 9.136 2.857 10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.576 3.200 9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.677 3.664 7.831 1.00 0.00 H new ATOM 161 N LEU A 14 7.485 1.711 8.303 1.00 0.00 N ATOM 162 CA LEU A 14 6.338 1.693 7.403 1.00 0.00 C ATOM 163 C LEU A 14 5.226 2.601 7.919 1.00 0.00 C ATOM 164 O LEU A 14 4.556 2.281 8.901 1.00 0.00 O ATOM 165 CB LEU A 14 5.813 0.265 7.241 1.00 0.00 C ATOM 166 CG LEU A 14 5.118 -0.048 5.916 1.00 0.00 C ATOM 167 CD1 LEU A 14 6.135 -0.136 4.788 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.325 -1.342 6.023 1.00 0.00 C ATOM 0 H LEU A 14 7.552 0.898 8.916 1.00 0.00 H new ATOM 0 HA LEU A 14 6.664 2.065 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.649 -0.424 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.114 0.062 8.052 1.00 0.00 H new ATOM 0 HG LEU A 14 4.425 0.762 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.622 -0.359 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.660 0.815 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.853 -0.927 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.837 -1.549 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.999 -2.162 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.571 -1.243 6.803 1.00 0.00 H new ATOM 180 N VAL A 15 5.034 3.733 7.250 1.00 0.00 N ATOM 181 CA VAL A 15 4.001 4.685 7.639 1.00 0.00 C ATOM 182 C VAL A 15 3.454 5.429 6.426 1.00 0.00 C ATOM 183 O VAL A 15 4.148 5.598 5.423 1.00 0.00 O ATOM 184 CB VAL A 15 4.536 5.709 8.657 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.408 6.231 9.533 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.638 5.091 9.505 1.00 0.00 C ATOM 0 H VAL A 15 5.581 4.013 6.436 1.00 0.00 H new ATOM 0 HA VAL A 15 3.199 4.110 8.101 1.00 0.00 H new ATOM 0 HB VAL A 15 4.959 6.552 8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.805 6.953 10.246 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.656 6.713 8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.953 5.401 10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.005 5.829 10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.243 4.230 10.044 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.457 4.771 8.861 1.00 0.00 H new ATOM 196 N VAL A 16 2.206 5.874 6.524 1.00 0.00 N ATOM 197 CA VAL A 16 1.565 6.603 5.436 1.00 0.00 C ATOM 198 C VAL A 16 1.714 8.109 5.620 1.00 0.00 C ATOM 199 O VAL A 16 1.558 8.629 6.725 1.00 0.00 O ATOM 200 CB VAL A 16 0.069 6.254 5.331 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.566 6.973 4.150 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.121 4.750 5.214 1.00 0.00 C ATOM 0 H VAL A 16 1.618 5.742 7.347 1.00 0.00 H new ATOM 0 HA VAL A 16 2.065 6.302 4.516 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.429 6.590 6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.623 6.714 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.463 8.050 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.067 6.671 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.184 4.522 5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.390 4.387 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.295 4.261 6.095 1.00 0.00 H new ATOM 212 N THR A 17 2.017 8.806 4.529 1.00 0.00 N ATOM 213 CA THR A 17 2.187 10.253 4.570 1.00 0.00 C ATOM 214 C THR A 17 1.039 10.962 3.860 1.00 0.00 C ATOM 215 O THR A 17 0.727 12.113 4.164 1.00 0.00 O ATOM 216 CB THR A 17 3.518 10.680 3.922 1.00 0.00 C ATOM 217 OG1 THR A 17 3.771 12.064 4.191 1.00 0.00 O ATOM 218 CG2 THR A 17 3.488 10.447 2.419 1.00 0.00 C ATOM 0 H THR A 17 2.150 8.392 3.606 1.00 0.00 H new ATOM 0 HA THR A 17 2.194 10.541 5.621 1.00 0.00 H new ATOM 0 HB THR A 17 4.317 10.075 4.351 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.619 12.328 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.438 10.756 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.324 9.388 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.680 11.030 1.977 1.00 0.00 H new ATOM 226 N GLU A 18 0.414 10.267 2.915 1.00 0.00 N ATOM 227 CA GLU A 18 -0.700 10.832 2.162 1.00 0.00 C ATOM 228 C GLU A 18 -1.762 9.772 1.886 1.00 0.00 C ATOM 229 O GLU A 18 -1.446 8.612 1.621 1.00 0.00 O ATOM 230 CB GLU A 18 -0.203 11.428 0.844 1.00 0.00 C ATOM 231 CG GLU A 18 0.349 12.837 0.982 1.00 0.00 C ATOM 232 CD GLU A 18 1.022 13.327 -0.285 1.00 0.00 C ATOM 233 OE1 GLU A 18 0.303 13.611 -1.266 1.00 0.00 O ATOM 234 OE2 GLU A 18 2.267 13.427 -0.296 1.00 0.00 O ATOM 0 H GLU A 18 0.660 9.312 2.653 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.148 11.623 2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.572 10.782 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.024 11.437 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.462 13.517 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.065 12.864 1.803 1.00 0.00 H new ATOM 241 N THR A 19 -3.027 10.180 1.949 1.00 0.00 N ATOM 242 CA THR A 19 -4.137 9.267 1.708 1.00 0.00 C ATOM 243 C THR A 19 -5.241 9.945 0.906 1.00 0.00 C ATOM 244 O THR A 19 -5.923 10.843 1.402 1.00 0.00 O ATOM 245 CB THR A 19 -4.727 8.739 3.029 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.559 9.713 4.065 1.00 0.00 O ATOM 247 CG2 THR A 19 -4.058 7.436 3.438 1.00 0.00 C ATOM 0 H THR A 19 -3.307 11.137 2.165 1.00 0.00 H new ATOM 0 HA THR A 19 -3.739 8.429 1.136 1.00 0.00 H new ATOM 0 HB THR A 19 -5.790 8.551 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.938 9.370 4.901 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.491 7.083 4.374 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.213 6.688 2.661 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.989 7.602 3.573 1.00 0.00 H new ATOM 255 N THR A 20 -5.416 9.510 -0.338 1.00 0.00 N ATOM 256 CA THR A 20 -6.438 10.075 -1.210 1.00 0.00 C ATOM 257 C THR A 20 -7.673 9.183 -1.259 1.00 0.00 C ATOM 258 O THR A 20 -7.636 8.031 -0.827 1.00 0.00 O ATOM 259 CB THR A 20 -5.907 10.277 -2.642 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.493 10.502 -2.612 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.599 11.452 -3.315 1.00 0.00 C ATOM 0 H THR A 20 -4.862 8.767 -0.764 1.00 0.00 H new ATOM 0 HA THR A 20 -6.709 11.044 -0.792 1.00 0.00 H new ATOM 0 HB THR A 20 -6.119 9.375 -3.216 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.188 10.785 -3.499 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.208 11.575 -4.325 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.672 11.264 -3.362 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.414 12.360 -2.741 1.00 0.00 H new ATOM 269 N ALA A 21 -8.766 9.721 -1.790 1.00 0.00 N ATOM 270 CA ALA A 21 -10.011 8.972 -1.899 1.00 0.00 C ATOM 271 C ALA A 21 -9.828 7.724 -2.755 1.00 0.00 C ATOM 272 O ALA A 21 -10.443 6.688 -2.501 1.00 0.00 O ATOM 273 CB ALA A 21 -11.109 9.854 -2.476 1.00 0.00 C ATOM 0 H ALA A 21 -8.814 10.674 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.304 8.654 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.033 9.281 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.267 10.713 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.814 10.200 -3.467 1.00 0.00 H new ATOM 279 N THR A 22 -8.980 7.829 -3.774 1.00 0.00 N ATOM 280 CA THR A 22 -8.718 6.710 -4.669 1.00 0.00 C ATOM 281 C THR A 22 -7.221 6.467 -4.822 1.00 0.00 C ATOM 282 O THR A 22 -6.769 5.932 -5.834 1.00 0.00 O ATOM 283 CB THR A 22 -9.333 6.947 -6.061 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.684 8.052 -6.701 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.825 7.223 -5.953 1.00 0.00 C ATOM 0 H THR A 22 -8.463 8.679 -3.999 1.00 0.00 H new ATOM 0 HA THR A 22 -9.182 5.832 -4.220 1.00 0.00 H new ATOM 0 HB THR A 22 -9.188 6.046 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.079 8.195 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.238 7.387 -6.948 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.321 6.369 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.987 8.111 -5.342 1.00 0.00 H new ATOM 293 N SER A 23 -6.455 6.864 -3.810 1.00 0.00 N ATOM 294 CA SER A 23 -5.007 6.692 -3.834 1.00 0.00 C ATOM 295 C SER A 23 -4.424 6.799 -2.429 1.00 0.00 C ATOM 296 O SER A 23 -5.108 7.208 -1.490 1.00 0.00 O ATOM 297 CB SER A 23 -4.363 7.737 -4.747 1.00 0.00 C ATOM 298 OG SER A 23 -5.194 8.026 -5.858 1.00 0.00 O ATOM 0 H SER A 23 -6.813 7.307 -2.964 1.00 0.00 H new ATOM 0 HA SER A 23 -4.791 5.697 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.174 8.650 -4.183 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.397 7.373 -5.097 1.00 0.00 H new ATOM 0 HG SER A 23 -5.596 7.196 -6.191 1.00 0.00 H new ATOM 304 N VAL A 24 -3.155 6.429 -2.291 1.00 0.00 N ATOM 305 CA VAL A 24 -2.477 6.484 -1.001 1.00 0.00 C ATOM 306 C VAL A 24 -0.963 6.481 -1.175 1.00 0.00 C ATOM 307 O VAL A 24 -0.445 6.043 -2.204 1.00 0.00 O ATOM 308 CB VAL A 24 -2.882 5.299 -0.104 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.035 5.272 1.159 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.363 5.373 0.239 1.00 0.00 C ATOM 0 H VAL A 24 -2.575 6.088 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.782 7.414 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.705 4.373 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.335 4.428 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.984 5.169 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.178 6.200 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.632 4.528 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.568 6.304 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.951 5.340 -0.678 1.00 0.00 H new ATOM 320 N THR A 25 -0.255 6.971 -0.162 1.00 0.00 N ATOM 321 CA THR A 25 1.201 7.026 -0.203 1.00 0.00 C ATOM 322 C THR A 25 1.813 6.237 0.949 1.00 0.00 C ATOM 323 O THR A 25 1.439 6.420 2.108 1.00 0.00 O ATOM 324 CB THR A 25 1.710 8.478 -0.143 1.00 0.00 C ATOM 325 OG1 THR A 25 1.106 9.253 -1.185 1.00 0.00 O ATOM 326 CG2 THR A 25 3.224 8.527 -0.281 1.00 0.00 C ATOM 0 H THR A 25 -0.667 7.336 0.697 1.00 0.00 H new ATOM 0 HA THR A 25 1.508 6.580 -1.149 1.00 0.00 H new ATOM 0 HB THR A 25 1.435 8.896 0.826 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.644 10.056 -1.349 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.560 9.563 -0.236 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.682 7.961 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.517 8.092 -1.237 1.00 0.00 H new ATOM 334 N LEU A 26 2.755 5.359 0.623 1.00 0.00 N ATOM 335 CA LEU A 26 3.420 4.541 1.632 1.00 0.00 C ATOM 336 C LEU A 26 4.905 4.881 1.715 1.00 0.00 C ATOM 337 O LEU A 26 5.575 5.039 0.695 1.00 0.00 O ATOM 338 CB LEU A 26 3.242 3.056 1.312 1.00 0.00 C ATOM 339 CG LEU A 26 3.310 2.099 2.503 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.169 2.370 3.471 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.279 0.654 2.028 1.00 0.00 C ATOM 0 H LEU A 26 3.076 5.195 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 26 2.962 4.755 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.278 2.924 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.009 2.765 0.594 1.00 0.00 H new ATOM 0 HG LEU A 26 4.251 2.267 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.234 1.680 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.238 3.395 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.217 2.230 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.328 -0.013 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.355 0.471 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.132 0.467 1.375 1.00 0.00 H new ATOM 353 N THR A 27 5.414 4.989 2.939 1.00 0.00 N ATOM 354 CA THR A 27 6.819 5.308 3.156 1.00 0.00 C ATOM 355 C THR A 27 7.497 4.248 4.016 1.00 0.00 C ATOM 356 O THR A 27 6.869 3.647 4.887 1.00 0.00 O ATOM 357 CB THR A 27 6.985 6.683 3.830 1.00 0.00 C ATOM 358 OG1 THR A 27 6.953 6.538 5.254 1.00 0.00 O ATOM 359 CG2 THR A 27 5.887 7.639 3.388 1.00 0.00 C ATOM 0 H THR A 27 4.874 4.860 3.794 1.00 0.00 H new ATOM 0 HA THR A 27 7.293 5.333 2.175 1.00 0.00 H new ATOM 0 HB THR A 27 7.948 7.096 3.529 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.073 6.206 5.529 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.025 8.603 3.877 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.933 7.771 2.307 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.915 7.229 3.663 1.00 0.00 H new ATOM 367 N TRP A 28 8.782 4.024 3.767 1.00 0.00 N ATOM 368 CA TRP A 28 9.546 3.036 4.520 1.00 0.00 C ATOM 369 C TRP A 28 11.042 3.202 4.276 1.00 0.00 C ATOM 370 O TRP A 28 11.465 4.097 3.544 1.00 0.00 O ATOM 371 CB TRP A 28 9.108 1.622 4.136 1.00 0.00 C ATOM 372 CG TRP A 28 9.546 1.218 2.761 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.755 0.690 2.407 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.778 1.310 1.556 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.785 0.449 1.055 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.584 0.820 0.510 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.488 1.757 1.259 1.00 0.00 C ATOM 378 CZ2 TRP A 28 9.141 0.766 -0.809 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.049 1.703 -0.051 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.874 1.210 -1.071 1.00 0.00 C ATOM 0 H TRP A 28 9.317 4.513 3.049 1.00 0.00 H new ATOM 0 HA TRP A 28 9.351 3.194 5.581 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.512 0.915 4.861 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.022 1.556 4.198 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.568 0.491 3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.574 0.057 0.540 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.845 2.138 2.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.775 0.387 -1.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.054 2.046 -0.292 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.502 1.180 -2.084 1.00 0.00 H new ATOM 391 N ASP A 29 11.838 2.336 4.893 1.00 0.00 N ATOM 392 CA ASP A 29 13.287 2.386 4.742 1.00 0.00 C ATOM 393 C ASP A 29 13.835 1.031 4.306 1.00 0.00 C ATOM 394 O ASP A 29 13.238 -0.009 4.582 1.00 0.00 O ATOM 395 CB ASP A 29 13.944 2.819 6.053 1.00 0.00 C ATOM 396 CG ASP A 29 15.323 3.412 5.842 1.00 0.00 C ATOM 397 OD1 ASP A 29 16.304 2.640 5.824 1.00 0.00 O ATOM 398 OD2 ASP A 29 15.421 4.648 5.696 1.00 0.00 O ATOM 0 H ASP A 29 11.504 1.590 5.503 1.00 0.00 H new ATOM 0 HA ASP A 29 13.522 3.118 3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.309 3.552 6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.019 1.960 6.719 1.00 0.00 H new ATOM 403 N SER A 30 14.976 1.051 3.623 1.00 0.00 N ATOM 404 CA SER A 30 15.602 -0.176 3.145 1.00 0.00 C ATOM 405 C SER A 30 15.605 -1.244 4.234 1.00 0.00 C ATOM 406 O SER A 30 15.210 -2.386 4.001 1.00 0.00 O ATOM 407 CB SER A 30 17.034 0.104 2.685 1.00 0.00 C ATOM 408 OG SER A 30 17.820 0.616 3.747 1.00 0.00 O ATOM 0 H SER A 30 15.485 1.903 3.389 1.00 0.00 H new ATOM 0 HA SER A 30 15.022 -0.546 2.300 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.483 -0.814 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.022 0.817 1.861 1.00 0.00 H new ATOM 0 HG SER A 30 18.731 0.785 3.428 1.00 0.00 H new ATOM 414 N GLY A 31 16.054 -0.864 5.427 1.00 0.00 N ATOM 415 CA GLY A 31 16.101 -1.800 6.535 1.00 0.00 C ATOM 416 C GLY A 31 17.260 -2.771 6.425 1.00 0.00 C ATOM 417 O GLY A 31 17.975 -3.007 7.398 1.00 0.00 O ATOM 0 H GLY A 31 16.386 0.075 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.182 -1.247 7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.166 -2.358 6.575 1.00 0.00 H new ATOM 421 N ASN A 32 17.445 -3.337 5.237 1.00 0.00 N ATOM 422 CA ASN A 32 18.524 -4.290 5.004 1.00 0.00 C ATOM 423 C ASN A 32 19.786 -3.577 4.526 1.00 0.00 C ATOM 424 O ASN A 32 19.716 -2.502 3.931 1.00 0.00 O ATOM 425 CB ASN A 32 18.095 -5.337 3.974 1.00 0.00 C ATOM 426 CG ASN A 32 17.095 -4.789 2.975 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.457 -4.047 2.061 1.00 0.00 O ATOM 428 ND2 ASN A 32 15.829 -5.152 3.145 1.00 0.00 N ATOM 0 H ASN A 32 16.862 -3.152 4.421 1.00 0.00 H new ATOM 0 HA ASN A 32 18.745 -4.788 5.948 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.974 -5.701 3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.658 -6.192 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.111 -4.814 2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.575 -5.769 3.917 1.00 0.00 H new ATOM 475 N VAL A 36 19.639 -4.815 -2.287 1.00 0.00 N ATOM 476 CA VAL A 36 18.406 -5.409 -2.791 1.00 0.00 C ATOM 477 C VAL A 36 18.062 -4.868 -4.174 1.00 0.00 C ATOM 478 O VAL A 36 18.307 -3.699 -4.475 1.00 0.00 O ATOM 479 CB VAL A 36 17.225 -5.143 -1.839 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.133 -6.183 -2.039 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.699 -5.128 -0.394 1.00 0.00 C ATOM 0 HA VAL A 36 18.575 -6.484 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 36 16.808 -4.163 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.307 -5.979 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.774 -6.141 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.534 -7.176 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.852 -4.939 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.143 -6.092 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.443 -4.342 -0.263 1.00 0.00 H new ATOM 491 N THR A 37 17.490 -5.725 -5.014 1.00 0.00 N ATOM 492 CA THR A 37 17.112 -5.334 -6.366 1.00 0.00 C ATOM 493 C THR A 37 15.916 -4.389 -6.350 1.00 0.00 C ATOM 494 O THR A 37 15.988 -3.273 -6.865 1.00 0.00 O ATOM 495 CB THR A 37 16.770 -6.562 -7.231 1.00 0.00 C ATOM 496 OG1 THR A 37 17.857 -7.494 -7.210 1.00 0.00 O ATOM 497 CG2 THR A 37 16.477 -6.149 -8.665 1.00 0.00 C ATOM 0 H THR A 37 17.278 -6.695 -4.781 1.00 0.00 H new ATOM 0 HA THR A 37 17.971 -4.822 -6.799 1.00 0.00 H new ATOM 0 HB THR A 37 15.879 -7.034 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.631 -8.272 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.238 -7.033 -9.257 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.630 -5.463 -8.680 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.352 -5.655 -9.087 1.00 0.00 H new ATOM 505 N TYR A 38 14.817 -4.842 -5.757 1.00 0.00 N ATOM 506 CA TYR A 38 13.605 -4.036 -5.676 1.00 0.00 C ATOM 507 C TYR A 38 12.779 -4.416 -4.450 1.00 0.00 C ATOM 508 O TYR A 38 13.154 -5.306 -3.686 1.00 0.00 O ATOM 509 CB TYR A 38 12.766 -4.211 -6.943 1.00 0.00 C ATOM 510 CG TYR A 38 12.041 -5.535 -7.012 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.678 -6.675 -7.485 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.717 -5.647 -6.603 1.00 0.00 C ATOM 513 CE1 TYR A 38 12.019 -7.888 -7.550 1.00 0.00 C ATOM 514 CE2 TYR A 38 10.050 -6.855 -6.663 1.00 0.00 C ATOM 515 CZ TYR A 38 10.705 -7.972 -7.138 1.00 0.00 C ATOM 516 OH TYR A 38 10.045 -9.178 -7.200 1.00 0.00 O ATOM 0 H TYR A 38 14.741 -5.763 -5.325 1.00 0.00 H new ATOM 0 HA TYR A 38 13.900 -2.991 -5.584 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.036 -3.403 -6.999 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.415 -4.116 -7.814 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.707 -6.612 -7.808 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.201 -4.774 -6.232 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.529 -8.765 -7.921 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.022 -6.924 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 38 9.128 -9.066 -6.872 1.00 0.00 H new ATOM 526 N TYR A 39 11.653 -3.734 -4.270 1.00 0.00 N ATOM 527 CA TYR A 39 10.774 -3.997 -3.137 1.00 0.00 C ATOM 528 C TYR A 39 9.321 -4.107 -3.589 1.00 0.00 C ATOM 529 O TYR A 39 8.716 -3.124 -4.016 1.00 0.00 O ATOM 530 CB TYR A 39 10.912 -2.891 -2.090 1.00 0.00 C ATOM 531 CG TYR A 39 12.292 -2.806 -1.477 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.392 -2.436 -2.242 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.497 -3.097 -0.134 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.654 -2.358 -1.687 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.756 -3.020 0.430 1.00 0.00 C ATOM 536 CZ TYR A 39 14.831 -2.650 -0.351 1.00 0.00 C ATOM 537 OH TYR A 39 16.087 -2.574 0.207 1.00 0.00 O ATOM 0 H TYR A 39 11.328 -2.995 -4.894 1.00 0.00 H new ATOM 0 HA TYR A 39 11.070 -4.947 -2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.669 -1.934 -2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.182 -3.058 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.257 -2.206 -3.288 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.658 -3.388 0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.498 -2.070 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.898 -3.248 1.476 1.00 0.00 H new ATOM 0 HH TYR A 39 16.129 -3.150 0.999 1.00 0.00 H new ATOM 547 N GLY A 40 8.766 -5.311 -3.490 1.00 0.00 N ATOM 548 CA GLY A 40 7.389 -5.528 -3.892 1.00 0.00 C ATOM 549 C GLY A 40 6.405 -4.772 -3.021 1.00 0.00 C ATOM 550 O GLY A 40 6.792 -4.154 -2.029 1.00 0.00 O ATOM 0 H GLY A 40 9.246 -6.140 -3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.264 -5.218 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.164 -6.594 -3.848 1.00 0.00 H new ATOM 554 N ILE A 41 5.130 -4.818 -3.394 1.00 0.00 N ATOM 555 CA ILE A 41 4.089 -4.131 -2.640 1.00 0.00 C ATOM 556 C ILE A 41 2.779 -4.910 -2.677 1.00 0.00 C ATOM 557 O ILE A 41 2.300 -5.286 -3.746 1.00 0.00 O ATOM 558 CB ILE A 41 3.845 -2.711 -3.183 1.00 0.00 C ATOM 559 CG1 ILE A 41 5.090 -1.844 -2.983 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.640 -2.082 -2.499 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.902 -0.408 -3.420 1.00 0.00 C ATOM 0 H ILE A 41 4.794 -5.324 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 41 4.439 -4.062 -1.610 1.00 0.00 H new ATOM 0 HB ILE A 41 3.639 -2.777 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.370 -1.861 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.920 -2.279 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.480 -1.079 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.756 -2.691 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.819 -2.025 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.824 0.148 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.652 -0.380 -4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.094 0.044 -2.845 1.00 0.00 H new ATOM 573 N GLN A 42 2.204 -5.147 -1.502 1.00 0.00 N ATOM 574 CA GLN A 42 0.947 -5.880 -1.401 1.00 0.00 C ATOM 575 C GLN A 42 -0.114 -5.046 -0.692 1.00 0.00 C ATOM 576 O GLN A 42 0.118 -4.525 0.399 1.00 0.00 O ATOM 577 CB GLN A 42 1.160 -7.198 -0.654 1.00 0.00 C ATOM 578 CG GLN A 42 1.994 -8.207 -1.427 1.00 0.00 C ATOM 579 CD GLN A 42 2.082 -9.549 -0.727 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.064 -10.164 -0.408 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.303 -10.012 -0.485 1.00 0.00 N ATOM 0 H GLN A 42 2.588 -4.842 -0.607 1.00 0.00 H new ATOM 0 HA GLN A 42 0.598 -6.095 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.646 -6.991 0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.189 -7.639 -0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.563 -8.346 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.999 -7.809 -1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.119 -9.469 -0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.424 -10.910 -0.018 1.00 0.00 H new ATOM 590 N TYR A 43 -1.279 -4.922 -1.319 1.00 0.00 N ATOM 591 CA TYR A 43 -2.375 -4.149 -0.749 1.00 0.00 C ATOM 592 C TYR A 43 -3.720 -4.636 -1.280 1.00 0.00 C ATOM 593 O TYR A 43 -3.834 -5.035 -2.440 1.00 0.00 O ATOM 594 CB TYR A 43 -2.198 -2.663 -1.066 1.00 0.00 C ATOM 595 CG TYR A 43 -2.378 -2.330 -2.530 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.443 -2.736 -3.474 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.481 -1.609 -2.969 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.603 -2.434 -4.813 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.650 -1.304 -4.305 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.708 -1.718 -5.223 1.00 0.00 C ATOM 601 OH TYR A 43 -2.871 -1.415 -6.556 1.00 0.00 O ATOM 0 H TYR A 43 -1.488 -5.347 -2.222 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.359 -4.288 0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.915 -2.087 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.203 -2.349 -0.750 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.577 -3.297 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.220 -1.281 -2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.867 -2.757 -5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.515 -0.744 -4.629 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.701 -0.908 -6.677 1.00 0.00 H new ATOM 611 N ARG A 44 -4.735 -4.601 -0.424 1.00 0.00 N ATOM 612 CA ARG A 44 -6.072 -5.040 -0.805 1.00 0.00 C ATOM 613 C ARG A 44 -7.069 -4.790 0.323 1.00 0.00 C ATOM 614 O ARG A 44 -6.687 -4.670 1.487 1.00 0.00 O ATOM 615 CB ARG A 44 -6.060 -6.525 -1.170 1.00 0.00 C ATOM 616 CG ARG A 44 -7.447 -7.117 -1.362 1.00 0.00 C ATOM 617 CD ARG A 44 -7.386 -8.466 -2.060 1.00 0.00 C ATOM 618 NE ARG A 44 -6.931 -8.346 -3.443 1.00 0.00 N ATOM 619 CZ ARG A 44 -7.673 -7.835 -4.419 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.899 -7.399 -4.165 1.00 0.00 N ATOM 621 NH2 ARG A 44 -7.189 -7.760 -5.652 1.00 0.00 N ATOM 0 H ARG A 44 -4.657 -4.273 0.539 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.382 -4.462 -1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.486 -6.660 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.543 -7.079 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.933 -7.229 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.059 -6.431 -1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.714 -9.127 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.373 -8.929 -2.042 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.992 -8.672 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.274 -7.456 -3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.467 -7.007 -4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.246 -8.095 -5.851 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.760 -7.367 -6.401 1.00 0.00 H new ATOM 635 N ALA A 45 -8.348 -4.712 -0.030 1.00 0.00 N ATOM 636 CA ALA A 45 -9.399 -4.478 0.952 1.00 0.00 C ATOM 637 C ALA A 45 -9.129 -5.250 2.239 1.00 0.00 C ATOM 638 O ALA A 45 -9.007 -6.474 2.226 1.00 0.00 O ATOM 639 CB ALA A 45 -10.754 -4.864 0.377 1.00 0.00 C ATOM 0 H ALA A 45 -8.681 -4.808 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.408 -3.415 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.530 -4.684 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.957 -4.265 -0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.748 -5.920 0.108 1.00 0.00 H new ATOM 732 N GLN A 53 -3.056 -7.652 -3.538 1.00 0.00 N ATOM 733 CA GLN A 53 -2.490 -7.373 -4.852 1.00 0.00 C ATOM 734 C GLN A 53 -0.991 -7.657 -4.870 1.00 0.00 C ATOM 735 O GLN A 53 -0.413 -8.050 -3.858 1.00 0.00 O ATOM 736 CB GLN A 53 -2.750 -5.918 -5.245 1.00 0.00 C ATOM 737 CG GLN A 53 -4.046 -5.718 -6.014 1.00 0.00 C ATOM 738 CD GLN A 53 -3.982 -6.278 -7.421 1.00 0.00 C ATOM 739 OE1 GLN A 53 -4.384 -7.415 -7.668 1.00 0.00 O ATOM 740 NE2 GLN A 53 -3.475 -5.480 -8.354 1.00 0.00 N ATOM 0 HA GLN A 53 -2.975 -8.029 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.774 -5.306 -4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.918 -5.560 -5.852 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.862 -6.197 -5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.276 -4.654 -6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.154 -4.544 -8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.407 -5.803 -9.319 1.00 0.00 H new ATOM 749 N GLU A 54 -0.370 -7.455 -6.028 1.00 0.00 N ATOM 750 CA GLU A 54 1.061 -7.691 -6.177 1.00 0.00 C ATOM 751 C GLU A 54 1.675 -6.704 -7.166 1.00 0.00 C ATOM 752 O GLU A 54 1.335 -6.701 -8.349 1.00 0.00 O ATOM 753 CB GLU A 54 1.319 -9.125 -6.645 1.00 0.00 C ATOM 754 CG GLU A 54 2.696 -9.648 -6.273 1.00 0.00 C ATOM 755 CD GLU A 54 2.804 -11.155 -6.409 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.070 -11.869 -5.695 1.00 0.00 O ATOM 757 OE2 GLU A 54 3.623 -11.618 -7.230 1.00 0.00 O ATOM 0 H GLU A 54 -0.835 -7.129 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 54 1.530 -7.544 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.562 -9.781 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.202 -9.171 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.444 -9.175 -6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.924 -9.362 -5.246 1.00 0.00 H new ATOM 764 N VAL A 55 2.582 -5.867 -6.672 1.00 0.00 N ATOM 765 CA VAL A 55 3.244 -4.875 -7.511 1.00 0.00 C ATOM 766 C VAL A 55 4.761 -4.980 -7.394 1.00 0.00 C ATOM 767 O VAL A 55 5.318 -4.863 -6.302 1.00 0.00 O ATOM 768 CB VAL A 55 2.809 -3.445 -7.140 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.556 -2.423 -7.984 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.305 -3.286 -7.303 1.00 0.00 C ATOM 0 H VAL A 55 2.875 -5.856 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 55 2.947 -5.082 -8.539 1.00 0.00 H new ATOM 0 HB VAL A 55 3.059 -3.269 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.235 -1.419 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.628 -2.522 -7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.341 -2.595 -9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.016 -2.269 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.029 -3.482 -8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.792 -3.992 -6.651 1.00 0.00 H new ATOM 780 N ASP A 56 5.422 -5.202 -8.524 1.00 0.00 N ATOM 781 CA ASP A 56 6.875 -5.322 -8.549 1.00 0.00 C ATOM 782 C ASP A 56 7.493 -4.256 -9.448 1.00 0.00 C ATOM 783 O ASP A 56 6.977 -3.965 -10.527 1.00 0.00 O ATOM 784 CB ASP A 56 7.285 -6.715 -9.031 1.00 0.00 C ATOM 785 CG ASP A 56 6.881 -6.972 -10.469 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.704 -6.727 -10.808 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.742 -7.417 -11.256 1.00 0.00 O ATOM 0 H ASP A 56 4.975 -5.303 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 56 7.245 -5.174 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.365 -6.826 -8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.828 -7.468 -8.388 1.00 0.00 H new ATOM 792 N GLY A 57 8.601 -3.677 -8.997 1.00 0.00 N ATOM 793 CA GLY A 57 9.270 -2.649 -9.772 1.00 0.00 C ATOM 794 C GLY A 57 9.400 -1.343 -9.015 1.00 0.00 C ATOM 795 O GLY A 57 9.269 -0.265 -9.594 1.00 0.00 O ATOM 0 H GLY A 57 9.048 -3.902 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.262 -3.001 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.716 -2.477 -10.695 1.00 0.00 H new ATOM 799 N VAL A 58 9.656 -1.438 -7.714 1.00 0.00 N ATOM 800 CA VAL A 58 9.802 -0.255 -6.875 1.00 0.00 C ATOM 801 C VAL A 58 11.226 -0.129 -6.345 1.00 0.00 C ATOM 802 O VAL A 58 11.524 -0.553 -5.229 1.00 0.00 O ATOM 803 CB VAL A 58 8.825 -0.286 -5.685 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.881 1.024 -4.913 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.410 -0.570 -6.165 1.00 0.00 C ATOM 0 H VAL A 58 9.767 -2.323 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 58 9.573 0.607 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 58 9.125 -1.090 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.184 0.983 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.892 1.181 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.608 1.847 -5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.733 -0.588 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.098 0.210 -6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.384 -1.536 -6.669 1.00 0.00 H new ATOM 815 N ALA A 59 12.103 0.457 -7.154 1.00 0.00 N ATOM 816 CA ALA A 59 13.496 0.641 -6.766 1.00 0.00 C ATOM 817 C ALA A 59 13.654 1.844 -5.842 1.00 0.00 C ATOM 818 O ALA A 59 14.770 2.291 -5.573 1.00 0.00 O ATOM 819 CB ALA A 59 14.371 0.802 -8.001 1.00 0.00 C ATOM 0 H ALA A 59 11.873 0.812 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 59 13.816 -0.247 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.409 0.939 -7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.290 -0.089 -8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.042 1.672 -8.569 1.00 0.00 H new ATOM 825 N THR A 60 12.531 2.366 -5.360 1.00 0.00 N ATOM 826 CA THR A 60 12.545 3.518 -4.468 1.00 0.00 C ATOM 827 C THR A 60 12.042 3.144 -3.078 1.00 0.00 C ATOM 828 O THR A 60 11.515 2.051 -2.870 1.00 0.00 O ATOM 829 CB THR A 60 11.681 4.667 -5.022 1.00 0.00 C ATOM 830 OG1 THR A 60 10.473 4.145 -5.585 1.00 0.00 O ATOM 831 CG2 THR A 60 12.441 5.454 -6.079 1.00 0.00 C ATOM 0 H THR A 60 11.600 2.009 -5.573 1.00 0.00 H new ATOM 0 HA THR A 60 13.580 3.852 -4.399 1.00 0.00 H new ATOM 0 HB THR A 60 11.436 5.338 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.702 4.534 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.811 6.260 -6.456 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.345 5.875 -5.639 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.712 4.791 -6.901 1.00 0.00 H new ATOM 839 N THR A 61 12.208 4.059 -2.128 1.00 0.00 N ATOM 840 CA THR A 61 11.771 3.825 -0.757 1.00 0.00 C ATOM 841 C THR A 61 10.350 4.331 -0.539 1.00 0.00 C ATOM 842 O THR A 61 9.675 3.926 0.408 1.00 0.00 O ATOM 843 CB THR A 61 12.709 4.509 0.255 1.00 0.00 C ATOM 844 OG1 THR A 61 12.912 5.878 -0.112 1.00 0.00 O ATOM 845 CG2 THR A 61 14.049 3.792 0.322 1.00 0.00 C ATOM 0 H THR A 61 12.642 4.969 -2.283 1.00 0.00 H new ATOM 0 HA THR A 61 11.798 2.747 -0.596 1.00 0.00 H new ATOM 0 HB THR A 61 12.241 4.463 1.238 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.508 6.306 0.538 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.694 4.293 1.043 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.894 2.758 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.521 3.810 -0.661 1.00 0.00 H new ATOM 853 N ARG A 62 9.901 5.218 -1.421 1.00 0.00 N ATOM 854 CA ARG A 62 8.559 5.780 -1.323 1.00 0.00 C ATOM 855 C ARG A 62 7.757 5.495 -2.590 1.00 0.00 C ATOM 856 O ARG A 62 8.250 5.679 -3.703 1.00 0.00 O ATOM 857 CB ARG A 62 8.631 7.289 -1.081 1.00 0.00 C ATOM 858 CG ARG A 62 7.357 7.873 -0.493 1.00 0.00 C ATOM 859 CD ARG A 62 7.599 9.251 0.102 1.00 0.00 C ATOM 860 NE ARG A 62 8.552 10.028 -0.686 1.00 0.00 N ATOM 861 CZ ARG A 62 8.231 10.672 -1.802 1.00 0.00 C ATOM 862 NH1 ARG A 62 6.987 10.632 -2.260 1.00 0.00 N ATOM 863 NH2 ARG A 62 9.155 11.357 -2.463 1.00 0.00 N ATOM 0 H ARG A 62 10.446 5.563 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 62 8.055 5.308 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.462 7.501 -0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.848 7.790 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.594 7.939 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.971 7.205 0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.654 9.791 0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.972 9.146 1.121 1.00 0.00 H new ATOM 0 HE ARG A 62 9.518 10.079 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.274 10.106 -1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.743 11.128 -3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.113 11.389 -2.114 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.908 11.851 -3.320 1.00 0.00 H new ATOM 877 N TYR A 63 6.520 5.045 -2.412 1.00 0.00 N ATOM 878 CA TYR A 63 5.651 4.732 -3.540 1.00 0.00 C ATOM 879 C TYR A 63 4.212 5.149 -3.251 1.00 0.00 C ATOM 880 O TYR A 63 3.816 5.296 -2.095 1.00 0.00 O ATOM 881 CB TYR A 63 5.707 3.236 -3.854 1.00 0.00 C ATOM 882 CG TYR A 63 4.863 2.835 -5.043 1.00 0.00 C ATOM 883 CD1 TYR A 63 5.292 3.088 -6.341 1.00 0.00 C ATOM 884 CD2 TYR A 63 3.637 2.205 -4.870 1.00 0.00 C ATOM 885 CE1 TYR A 63 4.524 2.724 -7.430 1.00 0.00 C ATOM 886 CE2 TYR A 63 2.864 1.836 -5.953 1.00 0.00 C ATOM 887 CZ TYR A 63 3.312 2.098 -7.231 1.00 0.00 C ATOM 888 OH TYR A 63 2.543 1.734 -8.313 1.00 0.00 O ATOM 0 H TYR A 63 6.097 4.889 -1.497 1.00 0.00 H new ATOM 0 HA TYR A 63 6.006 5.292 -4.406 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.742 2.951 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.376 2.677 -2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.242 3.577 -6.501 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.282 2.000 -3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.871 2.929 -8.432 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.914 1.345 -5.800 1.00 0.00 H new ATOM 0 HH TYR A 63 1.721 1.303 -8.000 1.00 0.00 H new ATOM 898 N SER A 64 3.433 5.338 -4.312 1.00 0.00 N ATOM 899 CA SER A 64 2.039 5.741 -4.174 1.00 0.00 C ATOM 900 C SER A 64 1.112 4.729 -4.841 1.00 0.00 C ATOM 901 O SER A 64 1.302 4.369 -6.003 1.00 0.00 O ATOM 902 CB SER A 64 1.824 7.127 -4.787 1.00 0.00 C ATOM 903 OG SER A 64 1.832 7.065 -6.203 1.00 0.00 O ATOM 0 H SER A 64 3.744 5.218 -5.276 1.00 0.00 H new ATOM 0 HA SER A 64 1.801 5.780 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.874 7.537 -4.443 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.606 7.805 -4.445 1.00 0.00 H new ATOM 0 HG SER A 64 1.770 6.130 -6.490 1.00 0.00 H new ATOM 909 N ILE A 65 0.110 4.274 -4.096 1.00 0.00 N ATOM 910 CA ILE A 65 -0.847 3.304 -4.614 1.00 0.00 C ATOM 911 C ILE A 65 -2.113 3.993 -5.112 1.00 0.00 C ATOM 912 O ILE A 65 -2.537 5.008 -4.562 1.00 0.00 O ATOM 913 CB ILE A 65 -1.229 2.264 -3.544 1.00 0.00 C ATOM 914 CG1 ILE A 65 0.001 1.454 -3.128 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.323 1.345 -4.066 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.760 2.061 -1.969 1.00 0.00 C ATOM 0 H ILE A 65 -0.060 4.561 -3.132 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.362 2.795 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.610 2.788 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.312 0.445 -2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.671 1.362 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.582 0.616 -3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.204 1.935 -4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.968 0.825 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.619 1.434 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.104 3.059 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.105 2.128 -1.100 1.00 0.00 H new ATOM 928 N GLY A 66 -2.714 3.432 -6.157 1.00 0.00 N ATOM 929 CA GLY A 66 -3.927 4.004 -6.711 1.00 0.00 C ATOM 930 C GLY A 66 -4.917 2.946 -7.154 1.00 0.00 C ATOM 931 O GLY A 66 -4.577 1.767 -7.247 1.00 0.00 O ATOM 0 H GLY A 66 -2.382 2.591 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.396 4.646 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.671 4.637 -7.561 1.00 0.00 H new ATOM 935 N GLY A 67 -6.149 3.367 -7.427 1.00 0.00 N ATOM 936 CA GLY A 67 -7.173 2.434 -7.858 1.00 0.00 C ATOM 937 C GLY A 67 -8.028 1.941 -6.707 1.00 0.00 C ATOM 938 O GLY A 67 -8.725 0.932 -6.830 1.00 0.00 O ATOM 0 H GLY A 67 -6.455 4.337 -7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.810 2.915 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.701 1.582 -8.348 1.00 0.00 H new ATOM 942 N LEU A 68 -7.975 2.651 -5.586 1.00 0.00 N ATOM 943 CA LEU A 68 -8.750 2.278 -4.407 1.00 0.00 C ATOM 944 C LEU A 68 -10.092 3.003 -4.386 1.00 0.00 C ATOM 945 O LEU A 68 -10.343 3.889 -5.203 1.00 0.00 O ATOM 946 CB LEU A 68 -7.964 2.598 -3.134 1.00 0.00 C ATOM 947 CG LEU A 68 -6.552 2.016 -3.053 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.774 2.661 -1.917 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.607 0.506 -2.874 1.00 0.00 C ATOM 0 H LEU A 68 -7.404 3.488 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.938 1.205 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.895 3.681 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.534 2.236 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.036 2.232 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.772 2.235 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.704 3.735 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.287 2.476 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.593 0.109 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.141 0.268 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.126 0.058 -3.721 1.00 0.00 H new ATOM 961 N SER A 69 -10.949 2.622 -3.445 1.00 0.00 N ATOM 962 CA SER A 69 -12.267 3.234 -3.318 1.00 0.00 C ATOM 963 C SER A 69 -12.291 4.236 -2.167 1.00 0.00 C ATOM 964 O SER A 69 -11.538 4.127 -1.199 1.00 0.00 O ATOM 965 CB SER A 69 -13.333 2.160 -3.095 1.00 0.00 C ATOM 966 OG SER A 69 -13.691 1.536 -4.317 1.00 0.00 O ATOM 0 H SER A 69 -10.755 1.892 -2.759 1.00 0.00 H new ATOM 0 HA SER A 69 -12.485 3.764 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.959 1.411 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.216 2.608 -2.639 1.00 0.00 H new ATOM 0 HG SER A 69 -14.372 0.852 -4.148 1.00 0.00 H new ATOM 972 N PRO A 70 -13.177 5.238 -2.275 1.00 0.00 N ATOM 973 CA PRO A 70 -13.322 6.279 -1.254 1.00 0.00 C ATOM 974 C PRO A 70 -13.935 5.745 0.036 1.00 0.00 C ATOM 975 O PRO A 70 -14.859 4.931 0.006 1.00 0.00 O ATOM 976 CB PRO A 70 -14.261 7.293 -1.912 1.00 0.00 C ATOM 977 CG PRO A 70 -15.038 6.500 -2.906 1.00 0.00 C ATOM 978 CD PRO A 70 -14.106 5.430 -3.401 1.00 0.00 C ATOM 0 HA PRO A 70 -12.360 6.697 -0.959 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.917 7.759 -1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.702 8.095 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.926 6.063 -2.449 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.380 7.130 -3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.641 4.511 -3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.582 5.740 -4.305 1.00 0.00 H new ATOM 986 N PHE A 71 -13.415 6.207 1.169 1.00 0.00 N ATOM 987 CA PHE A 71 -13.911 5.775 2.470 1.00 0.00 C ATOM 988 C PHE A 71 -13.833 4.257 2.605 1.00 0.00 C ATOM 989 O PHE A 71 -14.824 3.599 2.923 1.00 0.00 O ATOM 990 CB PHE A 71 -15.354 6.242 2.671 1.00 0.00 C ATOM 991 CG PHE A 71 -15.720 6.457 4.112 1.00 0.00 C ATOM 992 CD1 PHE A 71 -14.989 7.328 4.903 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.795 5.788 4.674 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.323 7.526 6.230 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.134 5.982 6.000 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.398 6.854 6.778 1.00 0.00 C ATOM 0 H PHE A 71 -12.650 6.881 1.212 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.281 6.224 3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.506 7.172 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -16.030 5.504 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.149 7.858 4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.375 5.107 4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.744 8.206 6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.973 5.453 6.427 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.663 7.010 7.813 1.00 0.00 H new ATOM 1006 N SER A 72 -12.649 3.707 2.359 1.00 0.00 N ATOM 1007 CA SER A 72 -12.441 2.266 2.449 1.00 0.00 C ATOM 1008 C SER A 72 -11.162 1.948 3.217 1.00 0.00 C ATOM 1009 O SER A 72 -10.269 2.787 3.330 1.00 0.00 O ATOM 1010 CB SER A 72 -12.375 1.651 1.049 1.00 0.00 C ATOM 1011 OG SER A 72 -11.308 2.204 0.299 1.00 0.00 O ATOM 0 H SER A 72 -11.818 4.237 2.096 1.00 0.00 H new ATOM 0 HA SER A 72 -13.284 1.835 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.247 0.571 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.317 1.823 0.528 1.00 0.00 H new ATOM 0 HG SER A 72 -11.629 2.983 -0.202 1.00 0.00 H new ATOM 1017 N GLU A 73 -11.083 0.730 3.743 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.914 0.301 4.502 1.00 0.00 C ATOM 1019 C GLU A 73 -9.079 -0.693 3.700 1.00 0.00 C ATOM 1020 O GLU A 73 -9.614 -1.624 3.095 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.343 -0.330 5.829 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.320 -0.164 6.940 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.873 -0.535 8.302 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -11.092 -0.366 8.514 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.086 -0.994 9.157 1.00 0.00 O ATOM 0 H GLU A 73 -11.814 0.023 3.658 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.303 1.180 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.286 0.115 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.529 -1.393 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.450 -0.785 6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.976 0.870 6.961 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.767 -0.489 3.698 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.858 -1.365 2.968 1.00 0.00 C ATOM 1034 C TYR A 74 -5.623 -1.688 3.804 1.00 0.00 C ATOM 1035 O TYR A 74 -5.225 -0.908 4.669 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.438 -0.714 1.649 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.421 -0.941 0.522 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.691 -0.380 0.559 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.079 -1.717 -0.578 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.593 -0.585 -0.468 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -7.973 -1.927 -1.610 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.228 -1.359 -1.551 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.122 -1.566 -2.576 1.00 0.00 O ATOM 0 H TYR A 74 -7.309 0.275 4.194 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.384 -2.296 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.318 0.358 1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.464 -1.105 1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.979 0.227 1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.097 -2.164 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.577 -0.142 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.690 -2.533 -2.458 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.709 -2.132 -3.261 1.00 0.00 H new ATOM 1053 N ALA A 75 -5.022 -2.842 3.538 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.831 -3.269 4.263 1.00 0.00 C ATOM 1055 C ALA A 75 -2.621 -3.338 3.338 1.00 0.00 C ATOM 1056 O ALA A 75 -2.510 -4.243 2.511 1.00 0.00 O ATOM 1057 CB ALA A 75 -4.071 -4.618 4.924 1.00 0.00 C ATOM 0 H ALA A 75 -5.340 -3.499 2.825 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.622 -2.530 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.174 -4.925 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.903 -4.538 5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.308 -5.360 4.161 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.716 -2.375 3.482 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.514 -2.326 2.658 1.00 0.00 C ATOM 1065 C PHE A 76 0.666 -2.970 3.379 1.00 0.00 C ATOM 1066 O PHE A 76 0.714 -3.003 4.609 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.177 -0.878 2.297 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.333 -0.122 1.707 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -2.289 0.458 2.526 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.464 0.009 0.334 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -3.354 1.153 1.985 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.527 0.703 -0.212 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.472 1.277 0.615 1.00 0.00 C ATOM 0 H PHE A 76 -1.792 -1.618 4.162 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.707 -2.886 1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.167 -0.360 3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.651 -0.872 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.201 0.366 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.727 -0.437 -0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.094 1.599 2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.618 0.796 -1.284 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.302 1.822 0.191 1.00 0.00 H new ATOM 1083 N ARG A 77 1.617 -3.483 2.604 1.00 0.00 N ATOM 1084 CA ARG A 77 2.796 -4.129 3.168 1.00 0.00 C ATOM 1085 C ARG A 77 3.900 -4.253 2.121 1.00 0.00 C ATOM 1086 O ARG A 77 3.676 -4.770 1.026 1.00 0.00 O ATOM 1087 CB ARG A 77 2.436 -5.512 3.712 1.00 0.00 C ATOM 1088 CG ARG A 77 1.914 -6.467 2.650 1.00 0.00 C ATOM 1089 CD ARG A 77 1.419 -7.767 3.265 1.00 0.00 C ATOM 1090 NE ARG A 77 0.351 -8.374 2.475 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.240 -9.519 2.796 1.00 0.00 C ATOM 1092 NH1 ARG A 77 0.130 -10.178 3.886 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -1.204 -10.008 2.026 1.00 0.00 N ATOM 0 H ARG A 77 1.594 -3.464 1.584 1.00 0.00 H new ATOM 0 HA ARG A 77 3.162 -3.510 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.317 -5.950 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.682 -5.402 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.103 -5.992 2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.705 -6.681 1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.250 -8.467 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.059 -7.576 4.276 1.00 0.00 H new ATOM 0 HE ARG A 77 0.042 -7.892 1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.870 -9.806 4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.326 -11.057 4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.491 -9.504 1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.657 -10.888 2.273 1.00 0.00 H new ATOM 1107 N VAL A 78 5.092 -3.776 2.466 1.00 0.00 N ATOM 1108 CA VAL A 78 6.230 -3.834 1.557 1.00 0.00 C ATOM 1109 C VAL A 78 7.188 -4.954 1.947 1.00 0.00 C ATOM 1110 O VAL A 78 7.200 -5.405 3.094 1.00 0.00 O ATOM 1111 CB VAL A 78 7.000 -2.500 1.535 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.140 -2.558 0.530 1.00 0.00 C ATOM 1113 CG2 VAL A 78 6.058 -1.348 1.220 1.00 0.00 C ATOM 0 H VAL A 78 5.294 -3.345 3.368 1.00 0.00 H new ATOM 0 HA VAL A 78 5.830 -4.031 0.562 1.00 0.00 H new ATOM 0 HB VAL A 78 7.428 -2.330 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.672 -1.607 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.827 -3.358 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.739 -2.751 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.618 -0.413 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.600 -1.509 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.280 -1.296 1.982 1.00 0.00 H new ATOM 1123 N LEU A 79 7.990 -5.401 0.987 1.00 0.00 N ATOM 1124 CA LEU A 79 8.953 -6.469 1.229 1.00 0.00 C ATOM 1125 C LEU A 79 10.141 -6.358 0.279 1.00 0.00 C ATOM 1126 O LEU A 79 9.990 -5.955 -0.874 1.00 0.00 O ATOM 1127 CB LEU A 79 8.282 -7.834 1.067 1.00 0.00 C ATOM 1128 CG LEU A 79 7.533 -8.062 -0.246 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.415 -9.549 -0.542 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.157 -7.415 -0.195 1.00 0.00 C ATOM 0 H LEU A 79 7.992 -5.040 0.033 1.00 0.00 H new ATOM 0 HA LEU A 79 9.319 -6.369 2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.045 -8.606 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.581 -7.972 1.890 1.00 0.00 H new ATOM 0 HG LEU A 79 8.101 -7.596 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.879 -9.692 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.411 -9.984 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.870 -10.039 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.639 -7.588 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.580 -7.850 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.265 -6.343 -0.031 1.00 0.00 H new ATOM 1142 N ALA A 80 11.321 -6.719 0.770 1.00 0.00 N ATOM 1143 CA ALA A 80 12.534 -6.664 -0.036 1.00 0.00 C ATOM 1144 C ALA A 80 12.631 -7.870 -0.965 1.00 0.00 C ATOM 1145 O ALA A 80 12.096 -8.938 -0.670 1.00 0.00 O ATOM 1146 CB ALA A 80 13.761 -6.586 0.860 1.00 0.00 C ATOM 0 H ALA A 80 11.463 -7.053 1.723 1.00 0.00 H new ATOM 0 HA ALA A 80 12.490 -5.766 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.659 -6.546 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.704 -5.690 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.800 -7.467 1.501 1.00 0.00 H new ATOM 1152 N VAL A 81 13.317 -7.691 -2.090 1.00 0.00 N ATOM 1153 CA VAL A 81 13.484 -8.765 -3.062 1.00 0.00 C ATOM 1154 C VAL A 81 14.789 -8.608 -3.835 1.00 0.00 C ATOM 1155 O VAL A 81 15.162 -7.502 -4.225 1.00 0.00 O ATOM 1156 CB VAL A 81 12.312 -8.806 -4.059 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.415 -10.032 -4.954 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.982 -8.786 -3.319 1.00 0.00 C ATOM 0 H VAL A 81 13.766 -6.813 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 81 13.507 -9.699 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 81 12.364 -7.919 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.578 -10.044 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.352 -9.998 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.389 -10.933 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.164 -8.815 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.918 -9.653 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.910 -7.875 -2.725 1.00 0.00 H new ATOM 1168 N ASN A 82 15.479 -9.722 -4.053 1.00 0.00 N ATOM 1169 CA ASN A 82 16.743 -9.709 -4.779 1.00 0.00 C ATOM 1170 C ASN A 82 16.993 -11.051 -5.462 1.00 0.00 C ATOM 1171 O ASN A 82 16.190 -11.976 -5.347 1.00 0.00 O ATOM 1172 CB ASN A 82 17.898 -9.385 -3.830 1.00 0.00 C ATOM 1173 CG ASN A 82 18.476 -10.626 -3.178 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.380 -11.262 -3.720 1.00 0.00 O ATOM 1175 ND2 ASN A 82 17.956 -10.977 -2.008 1.00 0.00 N ATOM 0 H ASN A 82 15.184 -10.646 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 82 16.684 -8.936 -5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.684 -8.868 -4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.548 -8.701 -3.057 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.305 -11.803 -1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.208 -10.421 -1.595 1.00 0.00 H new ATOM 1182 N SER A 83 18.112 -11.148 -6.173 1.00 0.00 N ATOM 1183 CA SER A 83 18.466 -12.375 -6.876 1.00 0.00 C ATOM 1184 C SER A 83 18.023 -13.602 -6.086 1.00 0.00 C ATOM 1185 O SER A 83 17.476 -14.551 -6.648 1.00 0.00 O ATOM 1186 CB SER A 83 19.975 -12.430 -7.121 1.00 0.00 C ATOM 1187 OG SER A 83 20.375 -11.448 -8.062 1.00 0.00 O ATOM 0 H SER A 83 18.789 -10.392 -6.277 1.00 0.00 H new ATOM 0 HA SER A 83 17.949 -12.376 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.505 -12.275 -6.181 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.252 -13.420 -7.484 1.00 0.00 H new ATOM 0 HG SER A 83 21.344 -11.503 -8.200 1.00 0.00 H new ATOM 1193 N ILE A 84 18.263 -13.575 -4.779 1.00 0.00 N ATOM 1194 CA ILE A 84 17.888 -14.683 -3.911 1.00 0.00 C ATOM 1195 C ILE A 84 16.381 -14.913 -3.932 1.00 0.00 C ATOM 1196 O ILE A 84 15.912 -15.995 -4.282 1.00 0.00 O ATOM 1197 CB ILE A 84 18.339 -14.438 -2.458 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.827 -14.087 -2.416 1.00 0.00 C ATOM 1199 CG2 ILE A 84 18.052 -15.662 -1.601 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.730 -15.237 -2.803 1.00 0.00 C ATOM 0 H ILE A 84 18.716 -12.797 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 84 18.393 -15.569 -4.295 1.00 0.00 H new ATOM 0 HB ILE A 84 17.776 -13.597 -2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 84 20.013 -13.248 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.086 -13.755 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.376 -15.474 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.982 -15.870 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.592 -16.521 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.770 -14.916 -2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.572 -16.070 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.499 -15.555 -3.820 1.00 0.00 H new ATOM 1212 N GLY A 85 15.626 -13.885 -3.556 1.00 0.00 N ATOM 1213 CA GLY A 85 14.179 -13.994 -3.540 1.00 0.00 C ATOM 1214 C GLY A 85 13.519 -12.847 -2.801 1.00 0.00 C ATOM 1215 O GLY A 85 14.141 -11.811 -2.567 1.00 0.00 O ATOM 0 H GLY A 85 15.991 -12.979 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.809 -14.023 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.894 -14.936 -3.071 1.00 0.00 H new ATOM 1219 N ARG A 86 12.254 -13.030 -2.435 1.00 0.00 N ATOM 1220 CA ARG A 86 11.509 -12.001 -1.721 1.00 0.00 C ATOM 1221 C ARG A 86 11.312 -12.388 -0.258 1.00 0.00 C ATOM 1222 O ARG A 86 10.600 -13.342 0.052 1.00 0.00 O ATOM 1223 CB ARG A 86 10.150 -11.771 -2.386 1.00 0.00 C ATOM 1224 CG ARG A 86 9.406 -13.056 -2.710 1.00 0.00 C ATOM 1225 CD ARG A 86 8.037 -12.771 -3.307 1.00 0.00 C ATOM 1226 NE ARG A 86 8.116 -12.454 -4.731 1.00 0.00 N ATOM 1227 CZ ARG A 86 7.127 -11.890 -5.414 1.00 0.00 C ATOM 1228 NH1 ARG A 86 5.989 -11.581 -4.807 1.00 0.00 N ATOM 1229 NH2 ARG A 86 7.275 -11.632 -6.707 1.00 0.00 N ATOM 0 H ARG A 86 11.724 -13.881 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 86 12.086 -11.077 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.532 -11.159 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.296 -11.204 -3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.993 -13.651 -3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.292 -13.650 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.392 -13.638 -3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.576 -11.939 -2.775 1.00 0.00 H new ATOM 0 HE ARG A 86 8.978 -12.678 -5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.872 -11.777 -3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.231 -11.148 -5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.149 -11.867 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.515 -11.199 -7.231 1.00 0.00 H new ATOM 1243 N GLY A 87 11.949 -11.640 0.638 1.00 0.00 N ATOM 1244 CA GLY A 87 11.832 -11.920 2.057 1.00 0.00 C ATOM 1245 C GLY A 87 10.408 -11.790 2.558 1.00 0.00 C ATOM 1246 O GLY A 87 9.469 -11.602 1.783 1.00 0.00 O ATOM 0 H GLY A 87 12.544 -10.845 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.193 -12.929 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.473 -11.236 2.613 1.00 0.00 H new ATOM 1250 N PRO A 88 10.231 -11.893 3.884 1.00 0.00 N ATOM 1251 CA PRO A 88 8.913 -11.790 4.517 1.00 0.00 C ATOM 1252 C PRO A 88 8.348 -10.375 4.452 1.00 0.00 C ATOM 1253 O PRO A 88 9.083 -9.390 4.369 1.00 0.00 O ATOM 1254 CB PRO A 88 9.184 -12.191 5.969 1.00 0.00 C ATOM 1255 CG PRO A 88 10.624 -11.877 6.186 1.00 0.00 C ATOM 1256 CD PRO A 88 11.304 -12.117 4.866 1.00 0.00 C ATOM 0 HA PRO A 88 8.172 -12.415 4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.549 -11.635 6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.981 -13.249 6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.754 -10.844 6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.049 -12.511 6.965 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.138 -11.432 4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.706 -13.128 4.799 1.00 0.00 H new ATOM 1264 N PRO A 89 7.012 -10.268 4.491 1.00 0.00 N ATOM 1265 CA PRO A 89 6.319 -8.977 4.440 1.00 0.00 C ATOM 1266 C PRO A 89 6.520 -8.160 5.712 1.00 0.00 C ATOM 1267 O PRO A 89 6.573 -8.710 6.812 1.00 0.00 O ATOM 1268 CB PRO A 89 4.848 -9.370 4.283 1.00 0.00 C ATOM 1269 CG PRO A 89 4.755 -10.734 4.874 1.00 0.00 C ATOM 1270 CD PRO A 89 6.074 -11.399 4.590 1.00 0.00 C ATOM 0 HA PRO A 89 6.694 -8.345 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.194 -8.669 4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.548 -9.371 3.235 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.567 -10.683 5.946 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.932 -11.295 4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.357 -12.087 5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.042 -11.977 3.666 1.00 0.00 H new ATOM 1278 N SER A 90 6.630 -6.845 5.553 1.00 0.00 N ATOM 1279 CA SER A 90 6.828 -5.952 6.690 1.00 0.00 C ATOM 1280 C SER A 90 5.520 -5.734 7.444 1.00 0.00 C ATOM 1281 O SER A 90 4.442 -6.048 6.940 1.00 0.00 O ATOM 1282 CB SER A 90 7.388 -4.609 6.218 1.00 0.00 C ATOM 1283 OG SER A 90 7.392 -3.661 7.271 1.00 0.00 O ATOM 0 H SER A 90 6.586 -6.374 4.649 1.00 0.00 H new ATOM 0 HA SER A 90 7.544 -6.419 7.367 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.402 -4.746 5.843 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.790 -4.233 5.388 1.00 0.00 H new ATOM 0 HG SER A 90 8.311 -3.369 7.445 1.00 0.00 H new ATOM 1289 N GLU A 91 5.625 -5.195 8.654 1.00 0.00 N ATOM 1290 CA GLU A 91 4.450 -4.935 9.478 1.00 0.00 C ATOM 1291 C GLU A 91 3.337 -4.296 8.653 1.00 0.00 C ATOM 1292 O GLU A 91 3.335 -3.087 8.425 1.00 0.00 O ATOM 1293 CB GLU A 91 4.815 -4.026 10.653 1.00 0.00 C ATOM 1294 CG GLU A 91 5.423 -4.768 11.832 1.00 0.00 C ATOM 1295 CD GLU A 91 5.534 -3.903 13.072 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.974 -2.741 12.947 1.00 0.00 O ATOM 1297 OE2 GLU A 91 5.181 -4.387 14.167 1.00 0.00 O ATOM 0 H GLU A 91 6.510 -4.930 9.085 1.00 0.00 H new ATOM 0 HA GLU A 91 4.090 -5.889 9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.519 -3.268 10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.920 -3.502 10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.815 -5.644 12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.413 -5.130 11.557 1.00 0.00 H new ATOM 1304 N ALA A 92 2.392 -5.118 8.209 1.00 0.00 N ATOM 1305 CA ALA A 92 1.272 -4.634 7.410 1.00 0.00 C ATOM 1306 C ALA A 92 0.585 -3.454 8.088 1.00 0.00 C ATOM 1307 O ALA A 92 0.258 -3.509 9.274 1.00 0.00 O ATOM 1308 CB ALA A 92 0.275 -5.757 7.164 1.00 0.00 C ATOM 0 H ALA A 92 2.379 -6.122 8.389 1.00 0.00 H new ATOM 0 HA ALA A 92 1.662 -4.293 6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.556 -5.382 6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.767 -6.570 6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.102 -6.125 8.118 1.00 0.00 H new ATOM 1314 N VAL A 93 0.368 -2.385 7.327 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.281 -1.191 7.854 1.00 0.00 C ATOM 1316 C VAL A 93 -1.669 -1.008 7.251 1.00 0.00 C ATOM 1317 O VAL A 93 -1.885 -1.280 6.070 1.00 0.00 O ATOM 1318 CB VAL A 93 0.557 0.072 7.578 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.934 -0.052 8.212 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.670 0.318 6.081 1.00 0.00 C ATOM 0 H VAL A 93 0.632 -2.322 6.344 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.371 -1.330 8.931 1.00 0.00 H new ATOM 0 HB VAL A 93 0.053 0.928 8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.512 0.849 8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.828 -0.178 9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.450 -0.917 7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.265 1.214 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.152 -0.537 5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.326 0.454 5.658 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.608 -0.545 8.070 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.977 -0.326 7.617 1.00 0.00 C ATOM 1332 C ARG A 94 -4.289 1.165 7.530 1.00 0.00 C ATOM 1333 O ARG A 94 -4.180 1.891 8.518 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.965 -1.011 8.564 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.237 -2.464 8.212 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.474 -2.987 8.926 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.407 -2.767 10.369 1.00 0.00 N ATOM 1338 CZ ARG A 94 -5.591 -3.434 11.177 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -4.776 -4.358 10.687 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -5.589 -3.177 12.479 1.00 0.00 N ATOM 0 H ARG A 94 -2.446 -0.314 9.050 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.078 -0.759 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.576 -0.959 9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.906 -0.461 8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.369 -2.560 7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.374 -3.073 8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.360 -2.494 8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.584 -4.053 8.726 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.021 -2.062 10.778 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.775 -4.558 9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.150 -4.869 11.310 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.214 -2.467 12.860 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.962 -3.690 13.099 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.677 1.614 6.341 1.00 0.00 N ATOM 1355 CA ALA A 95 -5.006 3.018 6.126 1.00 0.00 C ATOM 1356 C ALA A 95 -6.361 3.165 5.442 1.00 0.00 C ATOM 1357 O ALA A 95 -6.606 2.570 4.393 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.921 3.694 5.301 1.00 0.00 C ATOM 0 H ALA A 95 -4.771 1.027 5.512 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.064 3.505 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.180 4.742 5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.969 3.628 5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.836 3.197 4.335 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.239 3.960 6.045 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.571 4.183 5.495 1.00 0.00 C ATOM 1366 C ARG A 96 -8.578 5.388 4.559 1.00 0.00 C ATOM 1367 O ARG A 96 -8.322 6.517 4.980 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.583 4.395 6.623 1.00 0.00 C ATOM 1369 CG ARG A 96 -11.010 4.046 6.234 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.985 4.353 7.360 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.997 3.302 8.374 1.00 0.00 N ATOM 1372 CZ ARG A 96 -12.787 3.320 9.442 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.625 4.330 9.634 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -12.741 2.327 10.321 1.00 0.00 N ATOM 0 H ARG A 96 -7.052 4.460 6.914 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.853 3.299 4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.291 3.789 7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.547 5.437 6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.293 4.607 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.070 2.988 5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.716 5.302 7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.988 4.472 6.949 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.364 2.511 8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.664 5.095 8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.230 4.341 10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.098 1.548 10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.348 2.343 11.140 1.00 0.00 H new ATOM 1388 N THR A 97 -8.871 5.141 3.286 1.00 0.00 N ATOM 1389 CA THR A 97 -8.909 6.204 2.290 1.00 0.00 C ATOM 1390 C THR A 97 -9.999 7.220 2.612 1.00 0.00 C ATOM 1391 O THR A 97 -11.010 6.886 3.229 1.00 0.00 O ATOM 1392 CB THR A 97 -9.150 5.641 0.877 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.471 5.097 0.784 1.00 0.00 O ATOM 1394 CG2 THR A 97 -8.128 4.564 0.542 1.00 0.00 C ATOM 0 H THR A 97 -9.086 4.213 2.921 1.00 0.00 H new ATOM 0 HA THR A 97 -7.937 6.697 2.316 1.00 0.00 H new ATOM 0 HB THR A 97 -9.043 6.457 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.547 4.559 -0.032 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.318 4.181 -0.461 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.125 4.989 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.208 3.750 1.262 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.787 8.463 2.190 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.760 9.509 2.442 1.00 0.00 C ATOM 1404 C GLY A 98 -12.038 9.316 1.649 1.00 0.00 C ATOM 1405 O GLY A 98 -12.035 8.660 0.608 1.00 0.00 O ATOM 0 H GLY A 98 -8.958 8.764 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.996 9.532 3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.323 10.476 2.191 1.00 0.00 H new