USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 554 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 50 SER OG : rot 111:sc= 0.437 USER MOD Set 1.2: A 52 SER OG : rot -91:sc= 1.06 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= -0.17 USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 150:sc= -5.03! USER MOD Single : A 14 ASN : amide:sc= -0.775 K(o=-0.77,f=-5.7!) USER MOD Single : A 15 SER OG : rot -110:sc= -3.44! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 53:sc= 0.195! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 85:sc= 0.123 USER MOD Single : A 23 THR OG1 : rot -7:sc= 0.626 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 70:sc= -6.69! USER MOD Single : A 33 TYR OH : rot 161:sc= -0.603 USER MOD Single : A 35 THR OG1 : rot 43:sc= 0.459 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -129:sc= -0.4 USER MOD Single : A 46 THR OG1 : rot -42:sc= -0.271! USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.54! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 44:sc= -1.81! USER MOD Single : A 58 SER OG : rot 180:sc= -1.79 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -41:sc= 1.06 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 77 SER OG : rot -150:sc= -0.0695 USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= -2.48 (180deg=-6.27!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00533 USER MOD Single : A 88 SER OG : rot 180:sc= -0.701 USER MOD Single : A 90 ASN :FLIP amide:sc= -3.88! C(o=-4.4!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 50.475 -3.685 -4.915 1.00 0.00 N ATOM 111 CA GLN A 10 49.714 -3.345 -3.676 1.00 0.00 C ATOM 112 C GLN A 10 50.497 -2.361 -2.797 1.00 0.00 C ATOM 113 O GLN A 10 51.439 -1.730 -3.235 1.00 0.00 O ATOM 114 CB GLN A 10 49.532 -4.680 -2.950 1.00 0.00 C ATOM 115 CG GLN A 10 48.147 -4.726 -2.301 1.00 0.00 C ATOM 116 CD GLN A 10 48.136 -5.784 -1.195 1.00 0.00 C ATOM 117 OE1 GLN A 10 47.876 -5.477 -0.049 1.00 0.00 O ATOM 118 NE2 GLN A 10 48.408 -7.025 -1.492 1.00 0.00 N ATOM 0 HA GLN A 10 48.764 -2.862 -3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 10 49.643 -5.506 -3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 10 50.305 -4.801 -2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 10 47.895 -3.750 -1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 10 47.390 -4.960 -3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 10 48.626 -7.283 -2.454 1.00 0.00 H new ATOM 0 HE22 GLN A 10 48.402 -7.737 -0.762 1.00 0.00 H new ATOM 127 N LEU A 11 50.104 -2.232 -1.558 1.00 0.00 N ATOM 128 CA LEU A 11 50.798 -1.299 -0.620 1.00 0.00 C ATOM 129 C LEU A 11 50.230 -1.480 0.790 1.00 0.00 C ATOM 130 O LEU A 11 49.059 -1.251 1.024 1.00 0.00 O ATOM 131 CB LEU A 11 50.481 0.112 -1.140 1.00 0.00 C ATOM 132 CG LEU A 11 51.748 0.990 -1.225 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.819 0.537 -0.229 1.00 0.00 C ATOM 134 CD2 LEU A 11 52.318 0.913 -2.639 1.00 0.00 C ATOM 0 H LEU A 11 49.320 -2.741 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 11 51.872 -1.480 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 11 50.021 0.041 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.753 0.587 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 11 51.466 2.014 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 11 53.695 1.179 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.424 0.603 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.102 -0.494 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 11 53.213 1.531 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 11 52.573 -0.121 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 11 51.575 1.273 -3.351 1.00 0.00 H new ATOM 146 N SER A 12 51.047 -1.898 1.722 1.00 0.00 N ATOM 147 CA SER A 12 50.561 -2.103 3.123 1.00 0.00 C ATOM 148 C SER A 12 49.503 -1.056 3.491 1.00 0.00 C ATOM 149 O SER A 12 49.565 0.082 3.068 1.00 0.00 O ATOM 150 CB SER A 12 51.803 -1.939 4.000 1.00 0.00 C ATOM 151 OG SER A 12 52.125 -0.559 4.110 1.00 0.00 O ATOM 0 H SER A 12 52.034 -2.108 1.574 1.00 0.00 H new ATOM 0 HA SER A 12 50.091 -3.078 3.252 1.00 0.00 H new ATOM 0 HB2 SER A 12 51.622 -2.361 4.988 1.00 0.00 H new ATOM 0 HB3 SER A 12 52.641 -2.486 3.568 1.00 0.00 H new ATOM 0 HG SER A 12 52.554 -0.391 4.975 1.00 0.00 H new ATOM 157 N ALA A 13 48.527 -1.436 4.270 1.00 0.00 N ATOM 158 CA ALA A 13 47.457 -0.473 4.660 1.00 0.00 C ATOM 159 C ALA A 13 48.066 0.778 5.303 1.00 0.00 C ATOM 160 O ALA A 13 47.478 1.842 5.288 1.00 0.00 O ATOM 161 CB ALA A 13 46.599 -1.229 5.675 1.00 0.00 C ATOM 0 H ALA A 13 48.424 -2.375 4.655 1.00 0.00 H new ATOM 0 HA ALA A 13 46.878 -0.134 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 13 45.785 -0.587 6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 13 46.186 -2.123 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 13 47.213 -1.516 6.528 1.00 0.00 H new ATOM 167 N ASN A 14 49.233 0.660 5.870 1.00 0.00 N ATOM 168 CA ASN A 14 49.871 1.844 6.513 1.00 0.00 C ATOM 169 C ASN A 14 51.026 2.360 5.652 1.00 0.00 C ATOM 170 O ASN A 14 51.730 3.278 6.025 1.00 0.00 O ATOM 171 CB ASN A 14 50.389 1.332 7.857 1.00 0.00 C ATOM 172 CG ASN A 14 51.449 0.255 7.616 1.00 0.00 C ATOM 173 OD1 ASN A 14 51.124 -0.895 7.400 1.00 0.00 O ATOM 174 ND2 ASN A 14 52.711 0.583 7.643 1.00 0.00 N ATOM 0 H ASN A 14 49.773 -0.204 5.917 1.00 0.00 H new ATOM 0 HA ASN A 14 49.174 2.673 6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 14 50.814 2.154 8.432 1.00 0.00 H new ATOM 0 HB3 ASN A 14 49.567 0.924 8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 14 53.426 -0.127 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 14 52.983 1.549 7.824 1.00 0.00 H new ATOM 181 N SER A 15 51.229 1.776 4.502 1.00 0.00 N ATOM 182 CA SER A 15 52.341 2.233 3.623 1.00 0.00 C ATOM 183 C SER A 15 52.217 3.733 3.333 1.00 0.00 C ATOM 184 O SER A 15 51.384 4.419 3.890 1.00 0.00 O ATOM 185 CB SER A 15 52.191 1.425 2.333 1.00 0.00 C ATOM 186 OG SER A 15 51.691 2.268 1.304 1.00 0.00 O ATOM 0 H SER A 15 50.673 1.004 4.134 1.00 0.00 H new ATOM 0 HA SER A 15 53.315 2.082 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 15 53.153 1.006 2.039 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.513 0.586 2.493 1.00 0.00 H new ATOM 0 HG SER A 15 50.770 2.010 1.089 1.00 0.00 H new ATOM 192 N LYS A 16 53.045 4.242 2.461 1.00 0.00 N ATOM 193 CA LYS A 16 52.986 5.694 2.123 1.00 0.00 C ATOM 194 C LYS A 16 53.452 5.910 0.677 1.00 0.00 C ATOM 195 O LYS A 16 54.569 5.586 0.324 1.00 0.00 O ATOM 196 CB LYS A 16 53.952 6.359 3.107 1.00 0.00 C ATOM 197 CG LYS A 16 53.189 7.352 3.986 1.00 0.00 C ATOM 198 CD LYS A 16 53.311 6.931 5.451 1.00 0.00 C ATOM 199 CE LYS A 16 51.973 7.154 6.161 1.00 0.00 C ATOM 200 NZ LYS A 16 52.302 7.116 7.614 1.00 0.00 N ATOM 0 H LYS A 16 53.763 3.713 1.966 1.00 0.00 H new ATOM 0 HA LYS A 16 51.979 6.105 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 16 54.432 5.603 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.744 6.874 2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 16 53.589 8.357 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.140 7.384 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 16 53.598 5.882 5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 16 54.095 7.507 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 16 51.531 8.110 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 16 51.252 6.380 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 51.435 7.261 8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 52.715 6.192 7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 52.985 7.868 7.835 1.00 0.00 H new ATOM 214 N CYS A 17 52.609 6.448 -0.165 1.00 0.00 N ATOM 215 CA CYS A 17 53.022 6.671 -1.584 1.00 0.00 C ATOM 216 C CYS A 17 53.036 8.170 -1.910 1.00 0.00 C ATOM 217 O CYS A 17 52.196 8.668 -2.632 1.00 0.00 O ATOM 218 CB CYS A 17 51.973 5.941 -2.431 1.00 0.00 C ATOM 219 SG CYS A 17 50.351 6.711 -2.202 1.00 0.00 S ATOM 0 H CYS A 17 51.659 6.741 0.065 1.00 0.00 H new ATOM 0 HA CYS A 17 54.028 6.299 -1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 17 52.256 5.974 -3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 17 51.930 4.890 -2.145 1.00 0.00 H new ATOM 0 HG CYS A 17 50.442 7.989 -2.422 1.00 0.00 H new ATOM 224 N GLU A 18 53.991 8.891 -1.388 1.00 0.00 N ATOM 225 CA GLU A 18 54.060 10.355 -1.674 1.00 0.00 C ATOM 226 C GLU A 18 55.511 10.778 -1.910 1.00 0.00 C ATOM 227 O GLU A 18 56.409 10.375 -1.198 1.00 0.00 O ATOM 228 CB GLU A 18 53.503 11.030 -0.420 1.00 0.00 C ATOM 229 CG GLU A 18 54.416 10.727 0.770 1.00 0.00 C ATOM 230 CD GLU A 18 53.743 11.196 2.061 1.00 0.00 C ATOM 231 OE1 GLU A 18 52.601 10.824 2.280 1.00 0.00 O ATOM 232 OE2 GLU A 18 54.381 11.918 2.810 1.00 0.00 O ATOM 0 H GLU A 18 54.725 8.532 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 18 53.499 10.629 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.434 12.107 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.494 10.671 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 18 54.621 9.658 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 18 55.375 11.230 0.644 1.00 0.00 H new ATOM 239 N LYS A 19 55.752 11.586 -2.906 1.00 0.00 N ATOM 240 CA LYS A 19 57.148 12.029 -3.183 1.00 0.00 C ATOM 241 C LYS A 19 58.059 10.810 -3.339 1.00 0.00 C ATOM 242 O LYS A 19 59.201 10.820 -2.924 1.00 0.00 O ATOM 243 CB LYS A 19 57.557 12.849 -1.959 1.00 0.00 C ATOM 244 CG LYS A 19 57.425 14.341 -2.274 1.00 0.00 C ATOM 245 CD LYS A 19 58.451 15.130 -1.458 1.00 0.00 C ATOM 246 CE LYS A 19 58.399 16.604 -1.863 1.00 0.00 C ATOM 247 NZ LYS A 19 59.706 17.169 -1.426 1.00 0.00 N ATOM 0 H LYS A 19 55.044 11.958 -3.539 1.00 0.00 H new ATOM 0 HA LYS A 19 57.224 12.609 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 19 56.928 12.590 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 19 58.584 12.616 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 19 57.582 14.514 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.417 14.685 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 19 58.242 15.027 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 19 59.451 14.730 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 19 58.261 16.713 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 19 57.566 17.117 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 59.746 18.179 -1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 59.806 17.057 -0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 60.480 16.666 -1.906 1.00 0.00 H new ATOM 261 N SER A 20 57.563 9.759 -3.931 1.00 0.00 N ATOM 262 CA SER A 20 58.403 8.540 -4.105 1.00 0.00 C ATOM 263 C SER A 20 58.094 7.861 -5.440 1.00 0.00 C ATOM 264 O SER A 20 57.075 8.106 -6.055 1.00 0.00 O ATOM 265 CB SER A 20 58.017 7.629 -2.941 1.00 0.00 C ATOM 266 OG SER A 20 58.007 8.386 -1.738 1.00 0.00 O ATOM 0 H SER A 20 56.615 9.691 -4.301 1.00 0.00 H new ATOM 0 HA SER A 20 59.468 8.773 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 20 57.035 7.191 -3.117 1.00 0.00 H new ATOM 0 HB3 SER A 20 58.724 6.804 -2.859 1.00 0.00 H new ATOM 0 HG SER A 20 57.139 8.830 -1.638 1.00 0.00 H new ATOM 272 N THR A 21 58.967 7.000 -5.886 1.00 0.00 N ATOM 273 CA THR A 21 58.731 6.291 -7.174 1.00 0.00 C ATOM 274 C THR A 21 58.531 4.798 -6.909 1.00 0.00 C ATOM 275 O THR A 21 59.466 4.083 -6.606 1.00 0.00 O ATOM 276 CB THR A 21 60.001 6.527 -7.994 1.00 0.00 C ATOM 277 OG1 THR A 21 61.055 6.921 -7.127 1.00 0.00 O ATOM 278 CG2 THR A 21 59.749 7.628 -9.026 1.00 0.00 C ATOM 0 H THR A 21 59.837 6.757 -5.412 1.00 0.00 H new ATOM 0 HA THR A 21 57.843 6.649 -7.694 1.00 0.00 H new ATOM 0 HB THR A 21 60.277 5.607 -8.509 1.00 0.00 H new ATOM 0 HG1 THR A 21 61.870 7.071 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 21 60.655 7.795 -9.609 1.00 0.00 H new ATOM 0 HG22 THR A 21 58.940 7.325 -9.691 1.00 0.00 H new ATOM 0 HG23 THR A 21 59.472 8.550 -8.514 1.00 0.00 H new ATOM 286 N LEU A 22 57.323 4.321 -7.010 1.00 0.00 N ATOM 287 CA LEU A 22 57.071 2.876 -6.752 1.00 0.00 C ATOM 288 C LEU A 22 57.139 2.076 -8.056 1.00 0.00 C ATOM 289 O LEU A 22 56.957 2.607 -9.134 1.00 0.00 O ATOM 290 CB LEU A 22 55.663 2.818 -6.160 1.00 0.00 C ATOM 291 CG LEU A 22 55.724 3.099 -4.658 1.00 0.00 C ATOM 292 CD1 LEU A 22 56.546 2.009 -3.969 1.00 0.00 C ATOM 293 CD2 LEU A 22 56.381 4.460 -4.417 1.00 0.00 C ATOM 0 H LEU A 22 56.499 4.868 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 22 57.815 2.445 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 22 55.021 3.550 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 22 55.223 1.837 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 22 54.713 3.107 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 22 56.590 2.209 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 22 56.079 1.039 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 22 57.556 2.001 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 22 56.424 4.659 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 22 57.392 4.454 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 22 55.796 5.238 -4.907 1.00 0.00 H new ATOM 305 N THR A 23 57.399 0.800 -7.961 1.00 0.00 N ATOM 306 CA THR A 23 57.482 -0.047 -9.186 1.00 0.00 C ATOM 307 C THR A 23 57.453 -1.528 -8.795 1.00 0.00 C ATOM 308 O THR A 23 58.288 -1.998 -8.047 1.00 0.00 O ATOM 309 CB THR A 23 58.819 0.319 -9.831 1.00 0.00 C ATOM 310 OG1 THR A 23 58.720 1.608 -10.421 1.00 0.00 O ATOM 311 CG2 THR A 23 59.170 -0.709 -10.906 1.00 0.00 C ATOM 0 H THR A 23 57.558 0.305 -7.083 1.00 0.00 H new ATOM 0 HA THR A 23 56.648 0.119 -9.868 1.00 0.00 H new ATOM 0 HB THR A 23 59.599 0.324 -9.070 1.00 0.00 H new ATOM 0 HG1 THR A 23 57.791 1.916 -10.379 1.00 0.00 H new ATOM 0 HG21 THR A 23 60.123 -0.445 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 23 59.246 -1.698 -10.453 1.00 0.00 H new ATOM 0 HG23 THR A 23 58.391 -0.718 -11.669 1.00 0.00 H new ATOM 319 N ASN A 24 56.494 -2.266 -9.287 1.00 0.00 N ATOM 320 CA ASN A 24 56.408 -3.712 -8.931 1.00 0.00 C ATOM 321 C ASN A 24 56.669 -3.900 -7.432 1.00 0.00 C ATOM 322 O ASN A 24 57.657 -4.485 -7.034 1.00 0.00 O ATOM 323 CB ASN A 24 57.504 -4.388 -9.756 1.00 0.00 C ATOM 324 CG ASN A 24 56.976 -4.690 -11.158 1.00 0.00 C ATOM 325 OD1 ASN A 24 56.226 -3.915 -11.717 1.00 0.00 O ATOM 326 ND2 ASN A 24 57.337 -5.793 -11.755 1.00 0.00 N ATOM 0 H ASN A 24 55.767 -1.931 -9.919 1.00 0.00 H new ATOM 0 HA ASN A 24 55.424 -4.133 -9.139 1.00 0.00 H new ATOM 0 HB2 ASN A 24 58.379 -3.741 -9.817 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.823 -5.310 -9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 24 56.989 -6.004 -12.690 1.00 0.00 H new ATOM 0 HD22 ASN A 24 57.967 -6.444 -11.286 1.00 0.00 H new ATOM 333 N CYS A 25 55.794 -3.403 -6.597 1.00 0.00 N ATOM 334 CA CYS A 25 56.000 -3.550 -5.124 1.00 0.00 C ATOM 335 C CYS A 25 54.687 -3.925 -4.429 1.00 0.00 C ATOM 336 O CYS A 25 53.620 -3.820 -4.997 1.00 0.00 O ATOM 337 CB CYS A 25 56.479 -2.174 -4.655 1.00 0.00 C ATOM 338 SG CYS A 25 58.257 -2.024 -4.961 1.00 0.00 S ATOM 0 H CYS A 25 54.948 -2.903 -6.870 1.00 0.00 H new ATOM 0 HA CYS A 25 56.714 -4.339 -4.888 1.00 0.00 H new ATOM 0 HB2 CYS A 25 55.940 -1.388 -5.184 1.00 0.00 H new ATOM 0 HB3 CYS A 25 56.269 -2.045 -3.593 1.00 0.00 H new ATOM 343 N TYR A 26 54.760 -4.354 -3.197 1.00 0.00 N ATOM 344 CA TYR A 26 53.523 -4.729 -2.457 1.00 0.00 C ATOM 345 C TYR A 26 53.521 -4.037 -1.098 1.00 0.00 C ATOM 346 O TYR A 26 52.546 -3.439 -0.693 1.00 0.00 O ATOM 347 CB TYR A 26 53.601 -6.247 -2.292 1.00 0.00 C ATOM 348 CG TYR A 26 52.893 -6.914 -3.445 1.00 0.00 C ATOM 349 CD1 TYR A 26 51.507 -7.110 -3.398 1.00 0.00 C ATOM 350 CD2 TYR A 26 53.622 -7.335 -4.564 1.00 0.00 C ATOM 351 CE1 TYR A 26 50.851 -7.727 -4.469 1.00 0.00 C ATOM 352 CE2 TYR A 26 52.966 -7.952 -5.634 1.00 0.00 C ATOM 353 CZ TYR A 26 51.580 -8.148 -5.587 1.00 0.00 C ATOM 354 OH TYR A 26 50.934 -8.757 -6.644 1.00 0.00 O ATOM 0 H TYR A 26 55.627 -4.461 -2.671 1.00 0.00 H new ATOM 0 HA TYR A 26 52.612 -4.432 -2.977 1.00 0.00 H new ATOM 0 HB2 TYR A 26 54.642 -6.567 -2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 26 53.144 -6.545 -1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 26 50.945 -6.785 -2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 26 54.691 -7.183 -4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 26 49.782 -7.878 -4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 26 53.528 -8.277 -6.497 1.00 0.00 H new ATOM 0 HH TYR A 26 51.587 -8.986 -7.338 1.00 0.00 H new ATOM 364 N VAL A 27 54.621 -4.104 -0.403 1.00 0.00 N ATOM 365 CA VAL A 27 54.715 -3.437 0.928 1.00 0.00 C ATOM 366 C VAL A 27 53.623 -3.956 1.872 1.00 0.00 C ATOM 367 O VAL A 27 52.447 -3.895 1.577 1.00 0.00 O ATOM 368 CB VAL A 27 54.524 -1.945 0.635 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.055 -1.121 1.809 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.294 -1.572 -0.638 1.00 0.00 C ATOM 0 H VAL A 27 55.465 -4.594 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 27 55.666 -3.636 1.423 1.00 0.00 H new ATOM 0 HB VAL A 27 53.463 -1.736 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 27 54.919 -0.060 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.510 -1.385 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.115 -1.330 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.159 -0.511 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.354 -1.782 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.917 -2.158 -1.476 1.00 0.00 H new ATOM 380 N ASP A 28 54.012 -4.473 3.008 1.00 0.00 N ATOM 381 CA ASP A 28 53.005 -5.003 3.974 1.00 0.00 C ATOM 382 C ASP A 28 53.015 -4.175 5.262 1.00 0.00 C ATOM 383 O ASP A 28 52.108 -4.251 6.068 1.00 0.00 O ATOM 384 CB ASP A 28 53.449 -6.439 4.258 1.00 0.00 C ATOM 385 CG ASP A 28 52.822 -7.380 3.230 1.00 0.00 C ATOM 386 OD1 ASP A 28 51.658 -7.706 3.387 1.00 0.00 O ATOM 387 OD2 ASP A 28 53.518 -7.760 2.302 1.00 0.00 O ATOM 0 H ASP A 28 54.984 -4.551 3.309 1.00 0.00 H new ATOM 0 HA ASP A 28 51.991 -4.958 3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 28 54.536 -6.510 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 28 53.149 -6.731 5.264 1.00 0.00 H new ATOM 392 N LYS A 29 54.033 -3.384 5.461 1.00 0.00 N ATOM 393 CA LYS A 29 54.102 -2.549 6.696 1.00 0.00 C ATOM 394 C LYS A 29 55.327 -1.636 6.644 1.00 0.00 C ATOM 395 O LYS A 29 56.252 -1.775 7.415 1.00 0.00 O ATOM 396 CB LYS A 29 54.228 -3.546 7.850 1.00 0.00 C ATOM 397 CG LYS A 29 52.867 -3.714 8.528 1.00 0.00 C ATOM 398 CD LYS A 29 52.543 -5.202 8.667 1.00 0.00 C ATOM 399 CE LYS A 29 51.291 -5.372 9.530 1.00 0.00 C ATOM 400 NZ LYS A 29 51.720 -6.242 10.659 1.00 0.00 N ATOM 0 H LYS A 29 54.821 -3.279 4.822 1.00 0.00 H new ATOM 0 HA LYS A 29 53.228 -1.908 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.582 -4.507 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.965 -3.193 8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.878 -3.241 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.094 -3.216 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 29 52.383 -5.644 7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 29 53.384 -5.728 9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 29 50.925 -4.410 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 29 50.480 -5.830 8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 50.915 -6.405 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 52.057 -7.153 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 52.488 -5.777 11.183 1.00 0.00 H new ATOM 414 N SER A 30 55.341 -0.702 5.734 1.00 0.00 N ATOM 415 CA SER A 30 56.510 0.214 5.631 1.00 0.00 C ATOM 416 C SER A 30 56.039 1.646 5.374 1.00 0.00 C ATOM 417 O SER A 30 54.865 1.947 5.447 1.00 0.00 O ATOM 418 CB SER A 30 57.314 -0.308 4.442 1.00 0.00 C ATOM 419 OG SER A 30 57.852 -1.583 4.765 1.00 0.00 O ATOM 0 H SER A 30 54.595 -0.534 5.059 1.00 0.00 H new ATOM 0 HA SER A 30 57.101 0.236 6.546 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.677 -0.382 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.117 0.387 4.197 1.00 0.00 H new ATOM 0 HG SER A 30 57.128 -2.242 4.811 1.00 0.00 H new ATOM 425 N GLU A 31 56.947 2.530 5.071 1.00 0.00 N ATOM 426 CA GLU A 31 56.552 3.943 4.801 1.00 0.00 C ATOM 427 C GLU A 31 57.134 4.394 3.461 1.00 0.00 C ATOM 428 O GLU A 31 56.415 4.697 2.530 1.00 0.00 O ATOM 429 CB GLU A 31 57.158 4.752 5.946 1.00 0.00 C ATOM 430 CG GLU A 31 56.163 5.825 6.393 1.00 0.00 C ATOM 431 CD GLU A 31 56.520 6.291 7.806 1.00 0.00 C ATOM 432 OE1 GLU A 31 57.296 5.609 8.456 1.00 0.00 O ATOM 433 OE2 GLU A 31 56.011 7.321 8.214 1.00 0.00 O ATOM 0 H GLU A 31 57.946 2.337 4.998 1.00 0.00 H new ATOM 0 HA GLU A 31 55.471 4.070 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.401 4.095 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.090 5.216 5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.186 6.669 5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.149 5.426 6.375 1.00 0.00 H new ATOM 440 N VAL A 32 58.433 4.434 3.358 1.00 0.00 N ATOM 441 CA VAL A 32 59.070 4.857 2.078 1.00 0.00 C ATOM 442 C VAL A 32 58.802 6.341 1.823 1.00 0.00 C ATOM 443 O VAL A 32 57.697 6.820 1.990 1.00 0.00 O ATOM 444 CB VAL A 32 58.414 3.999 0.992 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.323 3.953 -0.234 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.200 2.573 1.514 1.00 0.00 C ATOM 0 H VAL A 32 59.083 4.192 4.106 1.00 0.00 H new ATOM 0 HA VAL A 32 60.152 4.724 2.096 1.00 0.00 H new ATOM 0 HB VAL A 32 57.451 4.434 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.859 3.343 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.476 4.964 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.284 3.519 0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 32 57.733 1.967 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.161 2.137 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.553 2.600 2.391 1.00 0.00 H new ATOM 456 N TYR A 33 59.804 7.076 1.422 1.00 0.00 N ATOM 457 CA TYR A 33 59.605 8.529 1.161 1.00 0.00 C ATOM 458 C TYR A 33 60.521 9.001 0.027 1.00 0.00 C ATOM 459 O TYR A 33 61.172 10.022 0.130 1.00 0.00 O ATOM 460 CB TYR A 33 59.979 9.219 2.474 1.00 0.00 C ATOM 461 CG TYR A 33 58.788 9.214 3.404 1.00 0.00 C ATOM 462 CD1 TYR A 33 57.552 9.698 2.961 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.922 8.727 4.710 1.00 0.00 C ATOM 464 CE1 TYR A 33 56.450 9.694 3.823 1.00 0.00 C ATOM 465 CE2 TYR A 33 57.819 8.724 5.572 1.00 0.00 C ATOM 466 CZ TYR A 33 56.583 9.208 5.129 1.00 0.00 C ATOM 467 OH TYR A 33 55.498 9.207 5.980 1.00 0.00 O ATOM 0 H TYR A 33 60.751 6.732 1.264 1.00 0.00 H new ATOM 0 HA TYR A 33 58.584 8.755 0.854 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.820 8.705 2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.298 10.243 2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 33 57.449 10.075 1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 33 59.876 8.354 5.052 1.00 0.00 H new ATOM 0 HE1 TYR A 33 55.496 10.066 3.480 1.00 0.00 H new ATOM 0 HE2 TYR A 33 57.922 8.348 6.579 1.00 0.00 H new ATOM 0 HH TYR A 33 55.660 8.581 6.716 1.00 0.00 H new ATOM 477 N GLY A 34 60.578 8.272 -1.055 1.00 0.00 N ATOM 478 CA GLY A 34 61.454 8.690 -2.188 1.00 0.00 C ATOM 479 C GLY A 34 62.087 7.459 -2.841 1.00 0.00 C ATOM 480 O GLY A 34 62.695 7.546 -3.889 1.00 0.00 O ATOM 0 H GLY A 34 60.058 7.407 -1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.871 9.243 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.233 9.362 -1.828 1.00 0.00 H new ATOM 484 N THR A 35 61.961 6.314 -2.228 1.00 0.00 N ATOM 485 CA THR A 35 62.567 5.085 -2.816 1.00 0.00 C ATOM 486 C THR A 35 61.961 4.790 -4.190 1.00 0.00 C ATOM 487 O THR A 35 60.825 5.124 -4.464 1.00 0.00 O ATOM 488 CB THR A 35 62.232 3.966 -1.827 1.00 0.00 C ATOM 489 OG1 THR A 35 62.919 4.200 -0.603 1.00 0.00 O ATOM 490 CG2 THR A 35 62.658 2.620 -2.414 1.00 0.00 C ATOM 0 H THR A 35 61.466 6.176 -1.347 1.00 0.00 H new ATOM 0 HA THR A 35 63.642 5.190 -2.966 1.00 0.00 H new ATOM 0 HB THR A 35 61.158 3.949 -1.641 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.864 5.151 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.419 1.824 -1.709 1.00 0.00 H new ATOM 0 HG22 THR A 35 62.127 2.447 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.732 2.628 -2.602 1.00 0.00 H new ATOM 498 N THR A 36 62.710 4.161 -5.055 1.00 0.00 N ATOM 499 CA THR A 36 62.177 3.841 -6.410 1.00 0.00 C ATOM 500 C THR A 36 61.465 2.487 -6.379 1.00 0.00 C ATOM 501 O THR A 36 60.736 2.134 -7.284 1.00 0.00 O ATOM 502 CB THR A 36 63.406 3.781 -7.319 1.00 0.00 C ATOM 503 OG1 THR A 36 64.009 5.068 -7.382 1.00 0.00 O ATOM 504 CG2 THR A 36 62.987 3.340 -8.722 1.00 0.00 C ATOM 0 H THR A 36 63.668 3.855 -4.882 1.00 0.00 H new ATOM 0 HA THR A 36 61.454 4.579 -6.758 1.00 0.00 H new ATOM 0 HB THR A 36 64.121 3.064 -6.917 1.00 0.00 H new ATOM 0 HG1 THR A 36 64.798 5.032 -7.963 1.00 0.00 H new ATOM 0 HG21 THR A 36 63.864 3.298 -9.367 1.00 0.00 H new ATOM 0 HG22 THR A 36 62.527 2.353 -8.671 1.00 0.00 H new ATOM 0 HG23 THR A 36 62.271 4.054 -9.129 1.00 0.00 H new ATOM 512 N CYS A 37 61.669 1.730 -5.336 1.00 0.00 N ATOM 513 CA CYS A 37 61.004 0.401 -5.233 1.00 0.00 C ATOM 514 C CYS A 37 61.162 -0.375 -6.543 1.00 0.00 C ATOM 515 O CYS A 37 60.216 -0.564 -7.280 1.00 0.00 O ATOM 516 CB CYS A 37 59.530 0.721 -4.975 1.00 0.00 C ATOM 517 SG CYS A 37 58.843 -0.474 -3.804 1.00 0.00 S ATOM 0 H CYS A 37 62.269 1.976 -4.549 1.00 0.00 H new ATOM 0 HA CYS A 37 61.435 -0.218 -4.446 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.431 1.731 -4.578 1.00 0.00 H new ATOM 0 HB3 CYS A 37 58.972 0.690 -5.911 1.00 0.00 H new ATOM 522 N THR A 38 62.348 -0.830 -6.838 1.00 0.00 N ATOM 523 CA THR A 38 62.557 -1.594 -8.101 1.00 0.00 C ATOM 524 C THR A 38 62.278 -3.081 -7.870 1.00 0.00 C ATOM 525 O THR A 38 63.099 -3.801 -7.341 1.00 0.00 O ATOM 526 CB THR A 38 64.027 -1.375 -8.460 1.00 0.00 C ATOM 527 OG1 THR A 38 64.258 0.010 -8.673 1.00 0.00 O ATOM 528 CG2 THR A 38 64.367 -2.155 -9.731 1.00 0.00 C ATOM 0 H THR A 38 63.180 -0.707 -6.261 1.00 0.00 H new ATOM 0 HA THR A 38 61.890 -1.264 -8.898 1.00 0.00 H new ATOM 0 HB THR A 38 64.658 -1.727 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 38 65.200 0.153 -8.902 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.415 -1.997 -9.985 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.190 -3.217 -9.564 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.739 -1.807 -10.551 1.00 0.00 H new ATOM 536 N GLY A 39 61.124 -3.544 -8.265 1.00 0.00 N ATOM 537 CA GLY A 39 60.793 -4.985 -8.068 1.00 0.00 C ATOM 538 C GLY A 39 61.190 -5.413 -6.655 1.00 0.00 C ATOM 539 O GLY A 39 62.091 -6.205 -6.466 1.00 0.00 O ATOM 0 H GLY A 39 60.397 -2.988 -8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.726 -5.148 -8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 39 61.318 -5.593 -8.804 1.00 0.00 H new ATOM 543 N SER A 40 60.523 -4.894 -5.661 1.00 0.00 N ATOM 544 CA SER A 40 60.860 -5.270 -4.258 1.00 0.00 C ATOM 545 C SER A 40 59.632 -5.121 -3.360 1.00 0.00 C ATOM 546 O SER A 40 58.601 -4.629 -3.774 1.00 0.00 O ATOM 547 CB SER A 40 61.950 -4.288 -3.834 1.00 0.00 C ATOM 548 OG SER A 40 62.412 -4.630 -2.534 1.00 0.00 O ATOM 0 H SER A 40 59.759 -4.226 -5.759 1.00 0.00 H new ATOM 0 HA SER A 40 61.189 -6.306 -4.179 1.00 0.00 H new ATOM 0 HB2 SER A 40 62.776 -4.315 -4.545 1.00 0.00 H new ATOM 0 HB3 SER A 40 61.560 -3.270 -3.838 1.00 0.00 H new ATOM 0 HG SER A 40 62.395 -3.835 -1.961 1.00 0.00 H new ATOM 554 N ARG A 41 59.737 -5.544 -2.132 1.00 0.00 N ATOM 555 CA ARG A 41 58.580 -5.430 -1.201 1.00 0.00 C ATOM 556 C ARG A 41 59.078 -5.257 0.236 1.00 0.00 C ATOM 557 O ARG A 41 60.204 -5.585 0.557 1.00 0.00 O ATOM 558 CB ARG A 41 57.821 -6.749 -1.345 1.00 0.00 C ATOM 559 CG ARG A 41 57.209 -6.839 -2.745 1.00 0.00 C ATOM 560 CD ARG A 41 58.184 -7.556 -3.681 1.00 0.00 C ATOM 561 NE ARG A 41 58.158 -6.766 -4.944 1.00 0.00 N ATOM 562 CZ ARG A 41 58.525 -7.320 -6.066 1.00 0.00 C ATOM 563 NH1 ARG A 41 59.644 -7.991 -6.129 1.00 0.00 N ATOM 564 NH2 ARG A 41 57.776 -7.204 -7.128 1.00 0.00 N ATOM 0 H ARG A 41 60.576 -5.965 -1.732 1.00 0.00 H new ATOM 0 HA ARG A 41 57.950 -4.570 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 41 58.496 -7.589 -1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.038 -6.814 -0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 41 56.262 -7.378 -2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 41 56.992 -5.840 -3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 41 59.187 -7.588 -3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 41 57.878 -8.588 -3.854 1.00 0.00 H new ATOM 0 HE ARG A 41 57.853 -5.793 -4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 41 60.231 -8.082 -5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 41 59.930 -8.424 -7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 41 56.902 -6.680 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 41 58.064 -7.638 -8.005 1.00 0.00 H new ATOM 578 N PHE A 42 58.250 -4.747 1.103 1.00 0.00 N ATOM 579 CA PHE A 42 58.679 -4.557 2.519 1.00 0.00 C ATOM 580 C PHE A 42 57.695 -5.252 3.461 1.00 0.00 C ATOM 581 O PHE A 42 56.750 -5.884 3.033 1.00 0.00 O ATOM 582 CB PHE A 42 58.664 -3.041 2.756 1.00 0.00 C ATOM 583 CG PHE A 42 59.156 -2.319 1.522 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.419 -2.614 0.995 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.348 -1.356 0.908 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.872 -1.946 -0.150 1.00 0.00 C ATOM 587 CE2 PHE A 42 58.800 -0.689 -0.236 1.00 0.00 C ATOM 588 CZ PHE A 42 60.063 -0.982 -0.765 1.00 0.00 C ATOM 0 H PHE A 42 57.296 -4.453 0.895 1.00 0.00 H new ATOM 0 HA PHE A 42 59.665 -4.983 2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.654 -2.713 3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.295 -2.792 3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 42 61.043 -3.356 1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.375 -1.127 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 42 61.845 -2.174 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.174 0.052 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.413 -0.465 -1.646 1.00 0.00 H new ATOM 598 N ASP A 43 57.911 -5.141 4.741 1.00 0.00 N ATOM 599 CA ASP A 43 56.988 -5.796 5.711 1.00 0.00 C ATOM 600 C ASP A 43 57.305 -5.326 7.128 1.00 0.00 C ATOM 601 O ASP A 43 57.426 -6.117 8.043 1.00 0.00 O ATOM 602 CB ASP A 43 57.257 -7.293 5.568 1.00 0.00 C ATOM 603 CG ASP A 43 56.034 -8.078 6.046 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.702 -7.966 7.214 1.00 0.00 O ATOM 605 OD2 ASP A 43 55.452 -8.780 5.236 1.00 0.00 O ATOM 0 H ASP A 43 58.686 -4.626 5.158 1.00 0.00 H new ATOM 0 HA ASP A 43 55.943 -5.554 5.519 1.00 0.00 H new ATOM 0 HB2 ASP A 43 57.475 -7.537 4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.134 -7.573 6.152 1.00 0.00 H new ATOM 610 N GLY A 44 57.440 -4.044 7.318 1.00 0.00 N ATOM 611 CA GLY A 44 57.751 -3.527 8.677 1.00 0.00 C ATOM 612 C GLY A 44 59.034 -2.694 8.629 1.00 0.00 C ATOM 613 O GLY A 44 59.985 -2.967 9.332 1.00 0.00 O ATOM 0 H GLY A 44 57.348 -3.334 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.924 -2.919 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.870 -4.356 9.374 1.00 0.00 H new ATOM 617 N VAL A 45 59.079 -1.681 7.806 1.00 0.00 N ATOM 618 CA VAL A 45 60.318 -0.852 7.732 1.00 0.00 C ATOM 619 C VAL A 45 59.979 0.641 7.770 1.00 0.00 C ATOM 620 O VAL A 45 58.891 1.039 8.139 1.00 0.00 O ATOM 621 CB VAL A 45 60.993 -1.223 6.396 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.759 -2.701 6.079 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.417 -0.372 5.259 1.00 0.00 C ATOM 0 H VAL A 45 58.321 -1.393 7.188 1.00 0.00 H new ATOM 0 HA VAL A 45 60.975 -1.044 8.580 1.00 0.00 H new ATOM 0 HB VAL A 45 62.063 -1.034 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.240 -2.951 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.181 -3.315 6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.689 -2.892 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.901 -0.643 4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.345 -0.550 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.595 0.683 5.468 1.00 0.00 H new ATOM 633 N THR A 46 60.912 1.463 7.382 1.00 0.00 N ATOM 634 CA THR A 46 60.679 2.934 7.378 1.00 0.00 C ATOM 635 C THR A 46 61.782 3.615 6.566 1.00 0.00 C ATOM 636 O THR A 46 62.477 4.486 7.050 1.00 0.00 O ATOM 637 CB THR A 46 60.760 3.352 8.846 1.00 0.00 C ATOM 638 OG1 THR A 46 59.967 2.474 9.633 1.00 0.00 O ATOM 639 CG2 THR A 46 60.248 4.784 9.000 1.00 0.00 C ATOM 0 H THR A 46 61.837 1.175 7.064 1.00 0.00 H new ATOM 0 HA THR A 46 59.723 3.210 6.934 1.00 0.00 H new ATOM 0 HB THR A 46 61.796 3.302 9.181 1.00 0.00 H new ATOM 0 HG1 THR A 46 59.124 2.289 9.168 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.306 5.081 10.047 1.00 0.00 H new ATOM 0 HG22 THR A 46 60.860 5.456 8.398 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.212 4.838 8.665 1.00 0.00 H new ATOM 647 N ILE A 47 61.955 3.211 5.338 1.00 0.00 N ATOM 648 CA ILE A 47 63.022 3.819 4.497 1.00 0.00 C ATOM 649 C ILE A 47 62.535 5.121 3.860 1.00 0.00 C ATOM 650 O ILE A 47 61.368 5.455 3.912 1.00 0.00 O ATOM 651 CB ILE A 47 63.308 2.774 3.419 1.00 0.00 C ATOM 652 CG1 ILE A 47 64.528 3.202 2.602 1.00 0.00 C ATOM 653 CG2 ILE A 47 62.095 2.653 2.494 1.00 0.00 C ATOM 654 CD1 ILE A 47 65.007 2.027 1.749 1.00 0.00 C ATOM 0 H ILE A 47 61.403 2.485 4.881 1.00 0.00 H new ATOM 0 HA ILE A 47 63.909 4.071 5.079 1.00 0.00 H new ATOM 0 HB ILE A 47 63.506 1.811 3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 47 64.273 4.048 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 47 65.326 3.532 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 47 62.297 1.908 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.224 2.348 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.899 3.616 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.877 2.331 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 47 65.278 1.194 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 47 64.208 1.718 1.075 1.00 0.00 H new ATOM 666 N THR A 48 63.426 5.855 3.256 1.00 0.00 N ATOM 667 CA THR A 48 63.029 7.135 2.607 1.00 0.00 C ATOM 668 C THR A 48 63.545 7.162 1.168 1.00 0.00 C ATOM 669 O THR A 48 63.520 6.166 0.474 1.00 0.00 O ATOM 670 CB THR A 48 63.700 8.228 3.440 1.00 0.00 C ATOM 671 OG1 THR A 48 65.112 8.109 3.323 1.00 0.00 O ATOM 672 CG2 THR A 48 63.293 8.077 4.908 1.00 0.00 C ATOM 0 H THR A 48 64.417 5.623 3.183 1.00 0.00 H new ATOM 0 HA THR A 48 61.948 7.267 2.566 1.00 0.00 H new ATOM 0 HB THR A 48 63.385 9.207 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 48 65.544 8.810 3.855 1.00 0.00 H new ATOM 0 HG21 THR A 48 63.772 8.857 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 48 62.210 8.167 4.997 1.00 0.00 H new ATOM 0 HG23 THR A 48 63.606 7.099 5.274 1.00 0.00 H new ATOM 680 N THR A 49 64.020 8.288 0.715 1.00 0.00 N ATOM 681 CA THR A 49 64.541 8.363 -0.678 1.00 0.00 C ATOM 682 C THR A 49 65.703 7.384 -0.858 1.00 0.00 C ATOM 683 O THR A 49 66.855 7.749 -0.756 1.00 0.00 O ATOM 684 CB THR A 49 65.024 9.804 -0.844 1.00 0.00 C ATOM 685 OG1 THR A 49 63.902 10.665 -0.978 1.00 0.00 O ATOM 686 CG2 THR A 49 65.902 9.905 -2.092 1.00 0.00 C ATOM 0 H THR A 49 64.070 9.157 1.247 1.00 0.00 H new ATOM 0 HA THR A 49 63.785 8.100 -1.417 1.00 0.00 H new ATOM 0 HB THR A 49 65.604 10.099 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.210 11.589 -1.083 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.247 10.932 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.762 9.243 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.324 9.612 -2.968 1.00 0.00 H new ATOM 694 N SER A 50 65.411 6.140 -1.124 1.00 0.00 N ATOM 695 CA SER A 50 66.508 5.145 -1.303 1.00 0.00 C ATOM 696 C SER A 50 66.490 4.579 -2.726 1.00 0.00 C ATOM 697 O SER A 50 65.448 4.315 -3.289 1.00 0.00 O ATOM 698 CB SER A 50 66.210 4.045 -0.283 1.00 0.00 C ATOM 699 OG SER A 50 66.230 2.780 -0.929 1.00 0.00 O ATOM 0 H SER A 50 64.466 5.770 -1.225 1.00 0.00 H new ATOM 0 HA SER A 50 67.493 5.586 -1.154 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.949 4.068 0.518 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.236 4.215 0.177 1.00 0.00 H new ATOM 0 HG SER A 50 67.008 2.269 -0.623 1.00 0.00 H new ATOM 705 N THR A 51 67.638 4.390 -3.310 1.00 0.00 N ATOM 706 CA THR A 51 67.684 3.841 -4.696 1.00 0.00 C ATOM 707 C THR A 51 67.780 2.313 -4.657 1.00 0.00 C ATOM 708 O THR A 51 68.179 1.682 -5.615 1.00 0.00 O ATOM 709 CB THR A 51 68.949 4.439 -5.317 1.00 0.00 C ATOM 710 OG1 THR A 51 68.943 5.850 -5.147 1.00 0.00 O ATOM 711 CG2 THR A 51 68.999 4.101 -6.808 1.00 0.00 C ATOM 0 H THR A 51 68.546 4.591 -2.891 1.00 0.00 H new ATOM 0 HA THR A 51 66.790 4.090 -5.268 1.00 0.00 H new ATOM 0 HB THR A 51 69.826 4.020 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.754 6.231 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.900 4.528 -7.248 1.00 0.00 H new ATOM 0 HG22 THR A 51 69.011 3.019 -6.936 1.00 0.00 H new ATOM 0 HG23 THR A 51 68.122 4.515 -7.305 1.00 0.00 H new ATOM 719 N SER A 52 67.424 1.717 -3.554 1.00 0.00 N ATOM 720 CA SER A 52 67.500 0.232 -3.448 1.00 0.00 C ATOM 721 C SER A 52 66.943 -0.425 -4.712 1.00 0.00 C ATOM 722 O SER A 52 65.826 -0.169 -5.117 1.00 0.00 O ATOM 723 CB SER A 52 66.640 -0.122 -2.237 1.00 0.00 C ATOM 724 OG SER A 52 65.394 0.556 -2.331 1.00 0.00 O ATOM 0 H SER A 52 67.083 2.194 -2.719 1.00 0.00 H new ATOM 0 HA SER A 52 68.526 -0.119 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.479 -1.199 -2.194 1.00 0.00 H new ATOM 0 HB3 SER A 52 67.152 0.161 -1.317 1.00 0.00 H new ATOM 0 HG SER A 52 65.457 1.421 -1.875 1.00 0.00 H new ATOM 730 N THR A 53 67.712 -1.277 -5.334 1.00 0.00 N ATOM 731 CA THR A 53 67.224 -1.959 -6.567 1.00 0.00 C ATOM 732 C THR A 53 66.859 -3.409 -6.244 1.00 0.00 C ATOM 733 O THR A 53 67.710 -4.276 -6.196 1.00 0.00 O ATOM 734 CB THR A 53 68.397 -1.901 -7.546 1.00 0.00 C ATOM 735 OG1 THR A 53 68.623 -0.553 -7.933 1.00 0.00 O ATOM 736 CG2 THR A 53 68.072 -2.741 -8.782 1.00 0.00 C ATOM 0 H THR A 53 68.656 -1.530 -5.042 1.00 0.00 H new ATOM 0 HA THR A 53 66.333 -1.488 -6.981 1.00 0.00 H new ATOM 0 HB THR A 53 69.292 -2.296 -7.066 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.376 -0.514 -8.559 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.908 -2.700 -9.480 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.899 -3.775 -8.484 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.177 -2.348 -9.264 1.00 0.00 H new ATOM 744 N GLY A 54 65.605 -3.679 -6.009 1.00 0.00 N ATOM 745 CA GLY A 54 65.198 -5.072 -5.675 1.00 0.00 C ATOM 746 C GLY A 54 65.877 -5.485 -4.369 1.00 0.00 C ATOM 747 O GLY A 54 66.975 -6.006 -4.367 1.00 0.00 O ATOM 0 H GLY A 54 64.847 -2.997 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.115 -5.134 -5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.482 -5.751 -6.479 1.00 0.00 H new ATOM 751 N SER A 55 65.242 -5.245 -3.255 1.00 0.00 N ATOM 752 CA SER A 55 65.863 -5.613 -1.951 1.00 0.00 C ATOM 753 C SER A 55 64.790 -5.775 -0.872 1.00 0.00 C ATOM 754 O SER A 55 64.028 -4.869 -0.600 1.00 0.00 O ATOM 755 CB SER A 55 66.784 -4.442 -1.620 1.00 0.00 C ATOM 756 OG SER A 55 66.097 -3.222 -1.868 1.00 0.00 O ATOM 0 H SER A 55 64.321 -4.811 -3.191 1.00 0.00 H new ATOM 0 HA SER A 55 66.400 -6.561 -2.000 1.00 0.00 H new ATOM 0 HB2 SER A 55 67.095 -4.492 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.689 -4.493 -2.225 1.00 0.00 H new ATOM 0 HG SER A 55 65.187 -3.281 -1.510 1.00 0.00 H new ATOM 762 N ARG A 56 64.727 -6.921 -0.249 1.00 0.00 N ATOM 763 CA ARG A 56 63.706 -7.135 0.816 1.00 0.00 C ATOM 764 C ARG A 56 64.120 -6.404 2.095 1.00 0.00 C ATOM 765 O ARG A 56 64.963 -6.865 2.839 1.00 0.00 O ATOM 766 CB ARG A 56 63.683 -8.646 1.051 1.00 0.00 C ATOM 767 CG ARG A 56 62.234 -9.137 1.087 1.00 0.00 C ATOM 768 CD ARG A 56 62.024 -10.009 2.326 1.00 0.00 C ATOM 769 NE ARG A 56 62.838 -11.231 2.075 1.00 0.00 N ATOM 770 CZ ARG A 56 62.547 -12.346 2.687 1.00 0.00 C ATOM 771 NH1 ARG A 56 61.640 -13.145 2.193 1.00 0.00 N ATOM 772 NH2 ARG A 56 63.164 -12.661 3.792 1.00 0.00 N ATOM 0 H ARG A 56 65.338 -7.717 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 56 62.726 -6.753 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 56 64.231 -9.156 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.183 -8.886 1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.551 -8.288 1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 56 62.009 -9.707 0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 56 62.350 -9.496 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 56 60.971 -10.256 2.462 1.00 0.00 H new ATOM 0 HE ARG A 56 63.623 -11.196 1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 56 61.159 -12.898 1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 56 61.413 -14.017 2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 56 63.873 -12.036 4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 56 62.938 -13.532 4.272 1.00 0.00 H new ATOM 786 N ILE A 57 63.537 -5.269 2.357 1.00 0.00 N ATOM 787 CA ILE A 57 63.902 -4.514 3.589 1.00 0.00 C ATOM 788 C ILE A 57 63.005 -4.938 4.755 1.00 0.00 C ATOM 789 O ILE A 57 62.921 -4.262 5.761 1.00 0.00 O ATOM 790 CB ILE A 57 63.670 -3.047 3.233 1.00 0.00 C ATOM 791 CG1 ILE A 57 64.727 -2.597 2.221 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.776 -2.192 4.495 1.00 0.00 C ATOM 793 CD1 ILE A 57 64.047 -1.886 1.050 1.00 0.00 C ATOM 0 H ILE A 57 62.824 -4.831 1.773 1.00 0.00 H new ATOM 0 HA ILE A 57 64.930 -4.699 3.901 1.00 0.00 H new ATOM 0 HB ILE A 57 62.677 -2.930 2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 57 65.442 -1.928 2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 57 65.289 -3.458 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.610 -1.145 4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.025 -2.513 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.769 -2.307 4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 57 64.801 -1.566 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 57 63.350 -2.569 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 57 63.505 -1.015 1.418 1.00 0.00 H new ATOM 805 N SER A 58 62.333 -6.050 4.628 1.00 0.00 N ATOM 806 CA SER A 58 61.441 -6.512 5.735 1.00 0.00 C ATOM 807 C SER A 58 62.154 -6.390 7.087 1.00 0.00 C ATOM 808 O SER A 58 63.367 -6.383 7.158 1.00 0.00 O ATOM 809 CB SER A 58 61.157 -7.978 5.423 1.00 0.00 C ATOM 810 OG SER A 58 59.851 -8.098 4.877 1.00 0.00 O ATOM 0 H SER A 58 62.361 -6.658 3.810 1.00 0.00 H new ATOM 0 HA SER A 58 60.530 -5.917 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 58 61.895 -8.361 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.241 -8.577 6.330 1.00 0.00 H new ATOM 0 HG SER A 58 59.666 -9.039 4.674 1.00 0.00 H new ATOM 816 N GLY A 59 61.412 -6.301 8.162 1.00 0.00 N ATOM 817 CA GLY A 59 62.059 -6.187 9.502 1.00 0.00 C ATOM 818 C GLY A 59 61.018 -5.792 10.555 1.00 0.00 C ATOM 819 O GLY A 59 60.079 -5.080 10.264 1.00 0.00 O ATOM 0 H GLY A 59 60.392 -6.302 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.521 -7.136 9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.855 -5.443 9.469 1.00 0.00 H new ATOM 823 N PRO A 60 61.229 -6.269 11.753 1.00 0.00 N ATOM 824 CA PRO A 60 60.305 -5.958 12.870 1.00 0.00 C ATOM 825 C PRO A 60 60.555 -4.534 13.376 1.00 0.00 C ATOM 826 O PRO A 60 60.950 -4.325 14.506 1.00 0.00 O ATOM 827 CB PRO A 60 60.675 -6.987 13.935 1.00 0.00 C ATOM 828 CG PRO A 60 62.096 -7.361 13.645 1.00 0.00 C ATOM 829 CD PRO A 60 62.335 -7.136 12.171 1.00 0.00 C ATOM 0 HA PRO A 60 59.253 -6.005 12.589 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.575 -6.570 14.937 1.00 0.00 H new ATOM 0 HB3 PRO A 60 60.021 -7.858 13.885 1.00 0.00 H new ATOM 0 HG2 PRO A 60 62.780 -6.757 14.241 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.279 -8.403 13.908 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.301 -6.663 11.992 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.334 -8.076 11.620 1.00 0.00 H new ATOM 837 N GLY A 61 60.335 -3.555 12.543 1.00 0.00 N ATOM 838 CA GLY A 61 60.566 -2.144 12.964 1.00 0.00 C ATOM 839 C GLY A 61 61.725 -1.564 12.151 1.00 0.00 C ATOM 840 O GLY A 61 62.312 -0.563 12.510 1.00 0.00 O ATOM 0 H GLY A 61 60.004 -3.672 11.585 1.00 0.00 H new ATOM 0 HA2 GLY A 61 59.664 -1.552 12.808 1.00 0.00 H new ATOM 0 HA3 GLY A 61 60.795 -2.102 14.029 1.00 0.00 H new ATOM 844 N CYS A 62 62.058 -2.196 11.059 1.00 0.00 N ATOM 845 CA CYS A 62 63.181 -1.702 10.211 1.00 0.00 C ATOM 846 C CYS A 62 63.161 -0.177 10.112 1.00 0.00 C ATOM 847 O CYS A 62 62.153 0.463 10.341 1.00 0.00 O ATOM 848 CB CYS A 62 62.940 -2.325 8.835 1.00 0.00 C ATOM 849 SG CYS A 62 64.333 -3.398 8.408 1.00 0.00 S ATOM 0 H CYS A 62 61.598 -3.039 10.715 1.00 0.00 H new ATOM 0 HA CYS A 62 64.151 -1.974 10.627 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.013 -2.899 8.841 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.826 -1.543 8.084 1.00 0.00 H new ATOM 854 N LYS A 63 64.274 0.406 9.767 1.00 0.00 N ATOM 855 CA LYS A 63 64.341 1.890 9.640 1.00 0.00 C ATOM 856 C LYS A 63 65.523 2.277 8.751 1.00 0.00 C ATOM 857 O LYS A 63 66.662 2.009 9.073 1.00 0.00 O ATOM 858 CB LYS A 63 64.553 2.405 11.062 1.00 0.00 C ATOM 859 CG LYS A 63 64.797 3.915 11.026 1.00 0.00 C ATOM 860 CD LYS A 63 65.058 4.419 12.446 1.00 0.00 C ATOM 861 CE LYS A 63 64.699 5.904 12.536 1.00 0.00 C ATOM 862 NZ LYS A 63 63.782 6.005 13.704 1.00 0.00 N ATOM 0 H LYS A 63 65.146 -0.084 9.566 1.00 0.00 H new ATOM 0 HA LYS A 63 63.442 2.310 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 63 63.680 2.181 11.675 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.403 1.899 11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.649 4.142 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.933 4.425 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 63 64.466 3.847 13.161 1.00 0.00 H new ATOM 0 HD3 LYS A 63 66.105 4.271 12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 63 65.589 6.518 12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 63 64.215 6.250 11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 63.490 6.995 13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 62.942 5.415 13.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 64.272 5.675 14.560 1.00 0.00 H new ATOM 876 N ILE A 64 65.265 2.895 7.632 1.00 0.00 N ATOM 877 CA ILE A 64 66.384 3.286 6.730 1.00 0.00 C ATOM 878 C ILE A 64 66.193 4.718 6.227 1.00 0.00 C ATOM 879 O ILE A 64 65.110 5.267 6.279 1.00 0.00 O ATOM 880 CB ILE A 64 66.320 2.300 5.564 1.00 0.00 C ATOM 881 CG1 ILE A 64 66.091 0.883 6.102 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.637 2.348 4.792 1.00 0.00 C ATOM 883 CD1 ILE A 64 64.589 0.624 6.227 1.00 0.00 C ATOM 0 H ILE A 64 64.332 3.145 7.304 1.00 0.00 H new ATOM 0 HA ILE A 64 67.347 3.256 7.240 1.00 0.00 H new ATOM 0 HB ILE A 64 65.498 2.570 4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 64 66.543 0.151 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 64 66.573 0.768 7.073 1.00 0.00 H new ATOM 0 HG21 ILE A 64 67.596 1.646 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.798 3.356 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.458 2.076 5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 64 64.424 -0.383 6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 64 64.151 1.349 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 64 64.120 0.722 5.248 1.00 0.00 H new ATOM 895 N SER A 65 67.239 5.330 5.742 1.00 0.00 N ATOM 896 CA SER A 65 67.117 6.727 5.239 1.00 0.00 C ATOM 897 C SER A 65 68.139 6.983 4.125 1.00 0.00 C ATOM 898 O SER A 65 69.331 6.853 4.320 1.00 0.00 O ATOM 899 CB SER A 65 67.409 7.606 6.451 1.00 0.00 C ATOM 900 OG SER A 65 68.732 8.115 6.356 1.00 0.00 O ATOM 0 H SER A 65 68.172 4.923 5.673 1.00 0.00 H new ATOM 0 HA SER A 65 66.134 6.930 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 65 66.694 8.427 6.499 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.294 7.029 7.369 1.00 0.00 H new ATOM 0 HG SER A 65 69.330 7.412 6.028 1.00 0.00 H new ATOM 906 N THR A 66 67.677 7.348 2.962 1.00 0.00 N ATOM 907 CA THR A 66 68.614 7.617 1.832 1.00 0.00 C ATOM 908 C THR A 66 69.659 6.503 1.717 1.00 0.00 C ATOM 909 O THR A 66 70.826 6.707 1.979 1.00 0.00 O ATOM 910 CB THR A 66 69.288 8.944 2.172 1.00 0.00 C ATOM 911 OG1 THR A 66 68.323 9.840 2.707 1.00 0.00 O ATOM 912 CG2 THR A 66 69.897 9.542 0.902 1.00 0.00 C ATOM 0 H THR A 66 66.689 7.472 2.743 1.00 0.00 H new ATOM 0 HA THR A 66 68.091 7.657 0.877 1.00 0.00 H new ATOM 0 HB THR A 66 70.075 8.779 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 66 68.754 10.692 2.927 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.379 10.490 1.141 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.635 8.852 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.111 9.710 0.166 1.00 0.00 H new ATOM 920 N CYS A 67 69.247 5.335 1.310 1.00 0.00 N ATOM 921 CA CYS A 67 70.216 4.208 1.157 1.00 0.00 C ATOM 922 C CYS A 67 70.157 3.673 -0.276 1.00 0.00 C ATOM 923 O CYS A 67 69.233 2.979 -0.648 1.00 0.00 O ATOM 924 CB CYS A 67 69.747 3.131 2.136 1.00 0.00 C ATOM 925 SG CYS A 67 70.888 3.037 3.536 1.00 0.00 S ATOM 0 H CYS A 67 68.280 5.109 1.076 1.00 0.00 H new ATOM 0 HA CYS A 67 71.242 4.517 1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 67 68.742 3.361 2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.695 2.166 1.632 1.00 0.00 H new ATOM 930 N ILE A 68 71.129 3.991 -1.084 1.00 0.00 N ATOM 931 CA ILE A 68 71.109 3.497 -2.490 1.00 0.00 C ATOM 932 C ILE A 68 70.816 1.992 -2.506 1.00 0.00 C ATOM 933 O ILE A 68 69.804 1.552 -3.015 1.00 0.00 O ATOM 934 CB ILE A 68 72.509 3.797 -3.037 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.568 5.254 -3.505 1.00 0.00 C ATOM 936 CG2 ILE A 68 72.820 2.876 -4.222 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.512 6.184 -2.291 1.00 0.00 C ATOM 0 H ILE A 68 71.932 4.568 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 68 70.337 3.974 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 68 73.243 3.628 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 68 73.485 5.429 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.736 5.465 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.817 3.097 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 68 72.779 1.837 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.086 3.038 -5.011 1.00 0.00 H new ATOM 0 HD11 ILE A 68 72.554 7.221 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.583 6.016 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.359 5.979 -1.636 1.00 0.00 H new ATOM 949 N ILE A 69 71.694 1.205 -1.953 1.00 0.00 N ATOM 950 CA ILE A 69 71.472 -0.268 -1.931 1.00 0.00 C ATOM 951 C ILE A 69 71.239 -0.792 -3.352 1.00 0.00 C ATOM 952 O ILE A 69 70.967 -0.039 -4.266 1.00 0.00 O ATOM 953 CB ILE A 69 70.218 -0.476 -1.080 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.341 0.307 0.228 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.058 -1.962 -0.763 1.00 0.00 C ATOM 956 CD1 ILE A 69 69.105 0.038 1.090 1.00 0.00 C ATOM 0 H ILE A 69 72.559 1.519 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 69 72.332 -0.802 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 69 69.349 -0.121 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 69 71.244 0.009 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.430 1.373 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.165 -2.111 -0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 69 69.964 -2.524 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 69 70.932 -2.313 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 69 69.185 0.593 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 69 68.211 0.357 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 69 69.037 -1.028 1.306 1.00 0.00 H new ATOM 968 N THR A 70 71.336 -2.080 -3.542 1.00 0.00 N ATOM 969 CA THR A 70 71.111 -2.654 -4.899 1.00 0.00 C ATOM 970 C THR A 70 70.436 -4.029 -4.780 1.00 0.00 C ATOM 971 O THR A 70 69.266 -4.122 -4.469 1.00 0.00 O ATOM 972 CB THR A 70 72.507 -2.769 -5.518 1.00 0.00 C ATOM 973 OG1 THR A 70 73.139 -1.498 -5.489 1.00 0.00 O ATOM 974 CG2 THR A 70 72.388 -3.251 -6.966 1.00 0.00 C ATOM 0 H THR A 70 71.561 -2.760 -2.816 1.00 0.00 H new ATOM 0 HA THR A 70 70.455 -2.038 -5.514 1.00 0.00 H new ATOM 0 HB THR A 70 73.101 -3.484 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 70 74.033 -1.568 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 70 73.382 -3.332 -7.405 1.00 0.00 H new ATOM 0 HG22 THR A 70 71.902 -4.226 -6.986 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.795 -2.538 -7.539 1.00 0.00 H new ATOM 982 N GLY A 71 71.154 -5.097 -5.014 1.00 0.00 N ATOM 983 CA GLY A 71 70.533 -6.447 -4.901 1.00 0.00 C ATOM 984 C GLY A 71 70.563 -6.890 -3.440 1.00 0.00 C ATOM 985 O GLY A 71 71.371 -7.707 -3.046 1.00 0.00 O ATOM 0 H GLY A 71 72.139 -5.091 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.506 -6.420 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.072 -7.162 -5.522 1.00 0.00 H new ATOM 989 N GLY A 72 69.696 -6.351 -2.628 1.00 0.00 N ATOM 990 CA GLY A 72 69.690 -6.737 -1.190 1.00 0.00 C ATOM 991 C GLY A 72 71.018 -6.321 -0.556 1.00 0.00 C ATOM 992 O GLY A 72 71.348 -6.724 0.542 1.00 0.00 O ATOM 0 H GLY A 72 68.994 -5.662 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.860 -6.255 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.546 -7.813 -1.090 1.00 0.00 H new ATOM 996 N VAL A 73 71.786 -5.520 -1.246 1.00 0.00 N ATOM 997 CA VAL A 73 73.098 -5.076 -0.693 1.00 0.00 C ATOM 998 C VAL A 73 73.098 -3.560 -0.481 1.00 0.00 C ATOM 999 O VAL A 73 72.645 -2.819 -1.328 1.00 0.00 O ATOM 1000 CB VAL A 73 74.112 -5.452 -1.769 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.963 -6.933 -2.118 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.850 -4.603 -3.017 1.00 0.00 C ATOM 0 H VAL A 73 71.560 -5.154 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 73 73.319 -5.535 0.271 1.00 0.00 H new ATOM 0 HB VAL A 73 75.123 -5.270 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.688 -7.200 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.139 -7.536 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.955 -7.120 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.570 -4.864 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.840 -4.793 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 73 73.953 -3.547 -2.767 1.00 0.00 H new ATOM 1012 N PRO A 74 73.614 -3.149 0.645 1.00 0.00 N ATOM 1013 CA PRO A 74 73.679 -1.705 0.963 1.00 0.00 C ATOM 1014 C PRO A 74 74.842 -1.051 0.207 1.00 0.00 C ATOM 1015 O PRO A 74 75.917 -1.606 0.106 1.00 0.00 O ATOM 1016 CB PRO A 74 73.929 -1.681 2.466 1.00 0.00 C ATOM 1017 CG PRO A 74 74.585 -2.992 2.782 1.00 0.00 C ATOM 1018 CD PRO A 74 74.175 -3.980 1.715 1.00 0.00 C ATOM 0 HA PRO A 74 72.780 -1.159 0.678 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.570 -0.844 2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.996 -1.566 3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.669 -2.881 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 74 74.280 -3.345 3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 74 75.028 -4.560 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.440 -4.691 2.093 1.00 0.00 H new ATOM 1026 N ALA A 75 74.633 0.120 -0.330 1.00 0.00 N ATOM 1027 CA ALA A 75 75.726 0.801 -1.083 1.00 0.00 C ATOM 1028 C ALA A 75 76.638 1.570 -0.122 1.00 0.00 C ATOM 1029 O ALA A 75 76.250 1.886 0.984 1.00 0.00 O ATOM 1030 CB ALA A 75 75.011 1.765 -2.030 1.00 0.00 C ATOM 0 H ALA A 75 73.754 0.635 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 75 76.359 0.094 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 75 75.748 2.307 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.354 1.203 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.420 2.474 -1.450 1.00 0.00 H new ATOM 1036 N PRO A 76 77.831 1.842 -0.585 1.00 0.00 N ATOM 1037 CA PRO A 76 78.817 2.578 0.238 1.00 0.00 C ATOM 1038 C PRO A 76 78.521 4.081 0.216 1.00 0.00 C ATOM 1039 O PRO A 76 79.377 4.887 -0.089 1.00 0.00 O ATOM 1040 CB PRO A 76 80.146 2.279 -0.448 1.00 0.00 C ATOM 1041 CG PRO A 76 79.800 1.954 -1.869 1.00 0.00 C ATOM 1042 CD PRO A 76 78.364 1.490 -1.904 1.00 0.00 C ATOM 0 HA PRO A 76 78.805 2.282 1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.817 3.136 -0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.656 1.444 0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.933 2.830 -2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.461 1.178 -2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 76 77.807 1.983 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.298 0.417 -2.085 1.00 0.00 H new ATOM 1050 N SER A 77 77.314 4.463 0.534 1.00 0.00 N ATOM 1051 CA SER A 77 76.967 5.914 0.529 1.00 0.00 C ATOM 1052 C SER A 77 77.236 6.537 1.901 1.00 0.00 C ATOM 1053 O SER A 77 77.290 5.856 2.907 1.00 0.00 O ATOM 1054 CB SER A 77 75.474 5.963 0.208 1.00 0.00 C ATOM 1055 OG SER A 77 75.179 7.184 -0.455 1.00 0.00 O ATOM 0 H SER A 77 76.554 3.835 0.797 1.00 0.00 H new ATOM 0 HA SER A 77 77.563 6.473 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.197 5.117 -0.422 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.890 5.883 1.125 1.00 0.00 H new ATOM 0 HG SER A 77 74.260 7.454 -0.250 1.00 0.00 H new ATOM 1061 N ALA A 78 77.405 7.831 1.949 1.00 0.00 N ATOM 1062 CA ALA A 78 77.669 8.506 3.253 1.00 0.00 C ATOM 1063 C ALA A 78 76.352 8.794 3.977 1.00 0.00 C ATOM 1064 O ALA A 78 76.332 9.108 5.151 1.00 0.00 O ATOM 1065 CB ALA A 78 78.373 9.812 2.885 1.00 0.00 C ATOM 0 H ALA A 78 77.372 8.451 1.140 1.00 0.00 H new ATOM 0 HA ALA A 78 78.271 7.891 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 78 78.603 10.370 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.298 9.589 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 78 77.722 10.409 2.247 1.00 0.00 H new ATOM 1071 N ALA A 79 75.251 8.696 3.284 1.00 0.00 N ATOM 1072 CA ALA A 79 73.936 8.970 3.932 1.00 0.00 C ATOM 1073 C ALA A 79 73.168 7.664 4.150 1.00 0.00 C ATOM 1074 O ALA A 79 72.296 7.579 4.993 1.00 0.00 O ATOM 1075 CB ALA A 79 73.191 9.870 2.947 1.00 0.00 C ATOM 0 H ALA A 79 75.204 8.438 2.298 1.00 0.00 H new ATOM 0 HA ALA A 79 74.048 9.438 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.210 10.118 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 79 73.760 10.786 2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.071 9.349 1.997 1.00 0.00 H new ATOM 1081 N CYS A 80 73.484 6.645 3.400 1.00 0.00 N ATOM 1082 CA CYS A 80 72.770 5.347 3.566 1.00 0.00 C ATOM 1083 C CYS A 80 73.041 4.773 4.960 1.00 0.00 C ATOM 1084 O CYS A 80 74.173 4.569 5.349 1.00 0.00 O ATOM 1085 CB CYS A 80 73.347 4.438 2.480 1.00 0.00 C ATOM 1086 SG CYS A 80 72.700 2.761 2.688 1.00 0.00 S ATOM 0 H CYS A 80 74.206 6.654 2.679 1.00 0.00 H new ATOM 0 HA CYS A 80 71.689 5.450 3.473 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.084 4.821 1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.435 4.429 2.539 1.00 0.00 H new ATOM 1091 N LYS A 81 72.008 4.517 5.718 1.00 0.00 N ATOM 1092 CA LYS A 81 72.205 3.963 7.088 1.00 0.00 C ATOM 1093 C LYS A 81 72.139 2.434 7.062 1.00 0.00 C ATOM 1094 O LYS A 81 72.130 1.821 6.012 1.00 0.00 O ATOM 1095 CB LYS A 81 71.050 4.531 7.911 1.00 0.00 C ATOM 1096 CG LYS A 81 69.736 3.896 7.448 1.00 0.00 C ATOM 1097 CD LYS A 81 69.281 2.860 8.477 1.00 0.00 C ATOM 1098 CE LYS A 81 69.061 1.507 7.787 1.00 0.00 C ATOM 1099 NZ LYS A 81 68.739 0.554 8.888 1.00 0.00 N ATOM 0 H LYS A 81 71.036 4.668 5.447 1.00 0.00 H new ATOM 0 HA LYS A 81 73.177 4.230 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 81 71.210 4.330 8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 81 71.004 5.614 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 81 68.972 4.664 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.871 3.423 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 81 70.030 2.761 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 81 68.359 3.189 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 81 68.248 1.562 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 81 69.952 1.193 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.139 -0.380 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 69.147 0.903 9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 67.707 0.474 8.987 1.00 0.00 H new ATOM 1113 N ILE A 82 72.093 1.819 8.213 1.00 0.00 N ATOM 1114 CA ILE A 82 72.032 0.330 8.271 1.00 0.00 C ATOM 1115 C ILE A 82 71.985 -0.125 9.739 1.00 0.00 C ATOM 1116 O ILE A 82 72.619 -1.085 10.133 1.00 0.00 O ATOM 1117 CB ILE A 82 73.310 -0.133 7.547 1.00 0.00 C ATOM 1118 CG1 ILE A 82 73.005 -1.413 6.768 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.448 -0.388 8.541 1.00 0.00 C ATOM 1120 CD1 ILE A 82 72.024 -1.092 5.635 1.00 0.00 C ATOM 0 H ILE A 82 72.095 2.286 9.120 1.00 0.00 H new ATOM 0 HA ILE A 82 71.145 -0.094 7.800 1.00 0.00 H new ATOM 0 HB ILE A 82 73.631 0.654 6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 82 73.925 -1.833 6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 82 72.578 -2.164 7.432 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.337 -0.714 8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.670 0.531 9.084 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.148 -1.163 9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 82 71.803 -2.002 5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 82 71.102 -0.691 6.055 1.00 0.00 H new ATOM 0 HD13 ILE A 82 72.469 -0.355 4.967 1.00 0.00 H new ATOM 1132 N SER A 83 71.238 0.573 10.553 1.00 0.00 N ATOM 1133 CA SER A 83 71.154 0.211 11.996 1.00 0.00 C ATOM 1134 C SER A 83 70.332 -1.067 12.212 1.00 0.00 C ATOM 1135 O SER A 83 70.840 -2.165 12.108 1.00 0.00 O ATOM 1136 CB SER A 83 70.476 1.407 12.664 1.00 0.00 C ATOM 1137 OG SER A 83 71.448 2.407 12.938 1.00 0.00 O ATOM 0 H SER A 83 70.680 1.382 10.278 1.00 0.00 H new ATOM 0 HA SER A 83 72.140 0.005 12.413 1.00 0.00 H new ATOM 0 HB2 SER A 83 69.698 1.808 12.014 1.00 0.00 H new ATOM 0 HB3 SER A 83 69.989 1.094 13.588 1.00 0.00 H new ATOM 0 HG SER A 83 71.015 3.176 13.365 1.00 0.00 H new ATOM 1143 N GLY A 84 69.070 -0.933 12.534 1.00 0.00 N ATOM 1144 CA GLY A 84 68.229 -2.139 12.781 1.00 0.00 C ATOM 1145 C GLY A 84 67.437 -2.509 11.528 1.00 0.00 C ATOM 1146 O GLY A 84 66.224 -2.440 11.509 1.00 0.00 O ATOM 0 H GLY A 84 68.588 -0.040 12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 84 68.862 -2.975 13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.544 -1.948 13.607 1.00 0.00 H new ATOM 1150 N CYS A 85 68.104 -2.917 10.485 1.00 0.00 N ATOM 1151 CA CYS A 85 67.372 -3.305 9.247 1.00 0.00 C ATOM 1152 C CYS A 85 68.262 -4.185 8.366 1.00 0.00 C ATOM 1153 O CYS A 85 69.355 -4.554 8.748 1.00 0.00 O ATOM 1154 CB CYS A 85 67.036 -1.979 8.557 1.00 0.00 C ATOM 1155 SG CYS A 85 65.623 -2.185 7.432 1.00 0.00 S ATOM 0 H CYS A 85 69.120 -2.998 10.436 1.00 0.00 H new ATOM 0 HA CYS A 85 66.473 -3.886 9.452 1.00 0.00 H new ATOM 0 HB2 CYS A 85 66.805 -1.221 9.306 1.00 0.00 H new ATOM 0 HB3 CYS A 85 67.903 -1.623 8.000 1.00 0.00 H new ATOM 1160 N THR A 86 67.803 -4.535 7.197 1.00 0.00 N ATOM 1161 CA THR A 86 68.627 -5.402 6.307 1.00 0.00 C ATOM 1162 C THR A 86 67.918 -5.622 4.972 1.00 0.00 C ATOM 1163 O THR A 86 66.717 -5.470 4.860 1.00 0.00 O ATOM 1164 CB THR A 86 68.757 -6.728 7.056 1.00 0.00 C ATOM 1165 OG1 THR A 86 69.399 -7.681 6.219 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.365 -7.238 7.443 1.00 0.00 C ATOM 0 H THR A 86 66.896 -4.260 6.820 1.00 0.00 H new ATOM 0 HA THR A 86 69.596 -4.955 6.085 1.00 0.00 H new ATOM 0 HB THR A 86 69.349 -6.580 7.959 1.00 0.00 H new ATOM 0 HG1 THR A 86 69.485 -8.532 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.459 -8.184 7.977 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.875 -6.506 8.085 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.769 -7.388 6.543 1.00 0.00 H new ATOM 1174 N PHE A 87 68.654 -5.990 3.961 1.00 0.00 N ATOM 1175 CA PHE A 87 68.028 -6.231 2.630 1.00 0.00 C ATOM 1176 C PHE A 87 68.250 -7.688 2.211 1.00 0.00 C ATOM 1177 O PHE A 87 69.167 -8.340 2.669 1.00 0.00 O ATOM 1178 CB PHE A 87 68.745 -5.282 1.660 1.00 0.00 C ATOM 1179 CG PHE A 87 68.992 -3.942 2.318 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.074 -3.428 3.244 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.146 -3.215 2.003 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.312 -2.187 3.855 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.381 -1.975 2.612 1.00 0.00 C ATOM 1184 CZ PHE A 87 69.465 -1.463 3.538 1.00 0.00 C ATOM 0 H PHE A 87 69.663 -6.135 3.998 1.00 0.00 H new ATOM 0 HA PHE A 87 66.953 -6.053 2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.692 -5.720 1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 87 68.143 -5.147 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.183 -3.987 3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.855 -3.610 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 87 67.605 -1.792 4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.270 -1.414 2.366 1.00 0.00 H new ATOM 0 HZ PHE A 87 69.649 -0.508 4.008 1.00 0.00 H new ATOM 1194 N SER A 88 67.417 -8.204 1.347 1.00 0.00 N ATOM 1195 CA SER A 88 67.584 -9.621 0.906 1.00 0.00 C ATOM 1196 C SER A 88 67.322 -9.746 -0.598 1.00 0.00 C ATOM 1197 O SER A 88 67.043 -10.815 -1.101 1.00 0.00 O ATOM 1198 CB SER A 88 66.540 -10.407 1.697 1.00 0.00 C ATOM 1199 OG SER A 88 66.165 -9.663 2.849 1.00 0.00 O ATOM 0 H SER A 88 66.630 -7.708 0.928 1.00 0.00 H new ATOM 0 HA SER A 88 68.594 -9.990 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 88 65.666 -10.601 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 88 66.944 -11.376 1.991 1.00 0.00 H new ATOM 0 HG SER A 88 65.494 -10.164 3.358 1.00 0.00 H new ATOM 1205 N ALA A 89 67.410 -8.661 -1.318 1.00 0.00 N ATOM 1206 CA ALA A 89 67.164 -8.722 -2.788 1.00 0.00 C ATOM 1207 C ALA A 89 65.775 -9.303 -3.069 1.00 0.00 C ATOM 1208 O ALA A 89 65.625 -10.480 -3.333 1.00 0.00 O ATOM 1209 CB ALA A 89 68.254 -9.645 -3.334 1.00 0.00 C ATOM 0 H ALA A 89 67.641 -7.737 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 89 67.194 -7.737 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 89 68.142 -9.742 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.234 -9.225 -3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.165 -10.627 -2.870 1.00 0.00 H new ATOM 1215 N ASN A 90 64.759 -8.485 -3.014 1.00 0.00 N ATOM 1216 CA ASN A 90 63.381 -8.985 -3.278 1.00 0.00 C ATOM 1217 C ASN A 90 62.682 -8.085 -4.296 1.00 0.00 C ATOM 1218 O ASN A 90 63.233 -7.044 -4.613 1.00 0.00 O ATOM 1219 CB ASN A 90 62.669 -8.925 -1.924 1.00 0.00 C ATOM 1220 CG ASN A 90 61.231 -9.426 -2.081 1.00 0.00 C ATOM 1221 OD1 ASN A 90 60.286 -8.903 -1.347 1.00 0.00 O flip ATOM 1222 ND2 ASN A 90 60.964 -10.303 -2.877 1.00 0.00 N flip ATOM 1223 OXT ASN A 90 61.608 -8.452 -4.743 1.00 0.00 O ATOM 0 H ASN A 90 64.825 -7.490 -2.797 1.00 0.00 H new ATOM 0 HA ASN A 90 63.378 -9.993 -3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 90 63.201 -9.536 -1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.670 -7.903 -1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 90 61.701 -10.712 -3.451 1.00 0.00 H new ATOM 0 HD22 ASN A 90 60.003 -10.630 -2.972 1.00 0.00 H new