USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=34 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 52 SER OG : rot 142:sc= 1.22 USER MOD Set 1.2: A 55 SER OG : rot 16:sc= 2.03 USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= -0.358 USER MOD Set 2.2: A 70 THR OG1 : rot -2:sc= 1.05 USER MOD Set 3.1: A 17 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 20 SER OG : rot -160:sc= -0.292 USER MOD Set 4.1: A 12 SER OG : rot 60:sc= 1.1 USER MOD Set 4.2: A 26 TYR OH : rot -93:sc= 1.04 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.146 F(o=-1.3,f=-0.15) USER MOD Single : A 14 ASN :FLIP amide:sc= -2.2! C(o=-3.3!,f=-2.2!) USER MOD Single : A 15 SER OG : rot 65:sc= -1.8! USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0.116 (180deg=0.018) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc=-0.00725 (180deg=-0.363) USER MOD Single : A 21 THR OG1 : rot -59:sc= 0.303 USER MOD Single : A 23 THR OG1 : rot -11:sc= 0.121! USER MOD Single : A 24 ASN : amide:sc= -1.43 K(o=-1.4,f=-5.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 98:sc= -1.04! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 12:sc= -1.18 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -49:sc= 0.284 USER MOD Single : A 40 SER OG : rot -73:sc= -0.563! USER MOD Single : A 46 THR OG1 : rot -23:sc= 0.445 USER MOD Single : A 48 THR OG1 : rot -129:sc= -2.09! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 67:sc= -0.477 USER MOD Single : A 51 THR OG1 : rot -150:sc= -1.63! USER MOD Single : A 58 SER OG : rot 180:sc= -0.788 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 3:sc= 0.349 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 139:sc= -1.46! (180deg=-5.25!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -7.59! C(o=-7.6!,f=-19!) USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 49.798 -1.468 -4.724 1.00 0.00 N ATOM 111 CA GLN A 10 49.510 -2.689 -3.940 1.00 0.00 C ATOM 112 C GLN A 10 49.965 -2.520 -2.492 1.00 0.00 C ATOM 113 O GLN A 10 50.142 -3.481 -1.769 1.00 0.00 O ATOM 114 CB GLN A 10 50.277 -3.798 -4.647 1.00 0.00 C ATOM 115 CG GLN A 10 49.370 -5.015 -4.719 1.00 0.00 C ATOM 116 CD GLN A 10 49.607 -5.789 -6.021 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.683 -5.566 -6.725 1.00 0.00 O flip ATOM 118 NE2 GLN A 10 48.799 -6.614 -6.399 1.00 0.00 N flip ATOM 0 HA GLN A 10 48.444 -2.911 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.572 -3.481 -5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.193 -4.035 -4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 10 49.556 -5.665 -3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 10 48.328 -4.702 -4.660 1.00 0.00 H new ATOM 0 HE21 GLN A 10 47.957 -6.791 -5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 10 48.963 -7.129 -7.264 1.00 0.00 H new ATOM 127 N LEU A 11 50.129 -1.300 -2.059 1.00 0.00 N ATOM 128 CA LEU A 11 50.543 -1.059 -0.648 1.00 0.00 C ATOM 129 C LEU A 11 49.741 -1.985 0.271 1.00 0.00 C ATOM 130 O LEU A 11 48.533 -1.904 0.330 1.00 0.00 O ATOM 131 CB LEU A 11 50.175 0.405 -0.361 1.00 0.00 C ATOM 132 CG LEU A 11 51.225 1.360 -0.944 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.629 0.838 -0.648 1.00 0.00 C ATOM 134 CD2 LEU A 11 51.030 1.478 -2.458 1.00 0.00 C ATOM 0 H LEU A 11 49.994 -0.460 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 11 51.604 -1.249 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 11 49.198 0.629 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 11 50.095 0.559 0.715 1.00 0.00 H new ATOM 0 HG LEU A 11 51.106 2.341 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 11 53.367 1.523 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.770 0.766 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 11 52.753 -0.147 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 11 51.777 2.157 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.141 0.495 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 11 50.033 1.866 -2.667 1.00 0.00 H new ATOM 146 N SER A 12 50.400 -2.869 0.968 1.00 0.00 N ATOM 147 CA SER A 12 49.671 -3.810 1.876 1.00 0.00 C ATOM 148 C SER A 12 48.859 -3.044 2.931 1.00 0.00 C ATOM 149 O SER A 12 49.193 -3.053 4.098 1.00 0.00 O ATOM 150 CB SER A 12 50.768 -4.629 2.552 1.00 0.00 C ATOM 151 OG SER A 12 50.616 -5.997 2.200 1.00 0.00 O ATOM 0 H SER A 12 51.413 -2.983 0.950 1.00 0.00 H new ATOM 0 HA SER A 12 48.961 -4.429 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 12 51.749 -4.269 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 12 50.711 -4.511 3.634 1.00 0.00 H new ATOM 0 HG SER A 12 50.682 -6.094 1.227 1.00 0.00 H new ATOM 157 N ALA A 13 47.792 -2.402 2.515 1.00 0.00 N ATOM 158 CA ALA A 13 46.915 -1.627 3.455 1.00 0.00 C ATOM 159 C ALA A 13 47.659 -1.236 4.734 1.00 0.00 C ATOM 160 O ALA A 13 47.271 -1.611 5.822 1.00 0.00 O ATOM 161 CB ALA A 13 45.770 -2.578 3.787 1.00 0.00 C ATOM 0 H ALA A 13 47.485 -2.382 1.542 1.00 0.00 H new ATOM 0 HA ALA A 13 46.578 -0.694 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 13 45.078 -2.089 4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 13 45.244 -2.847 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 13 46.169 -3.478 4.255 1.00 0.00 H new ATOM 167 N ASN A 14 48.723 -0.492 4.617 1.00 0.00 N ATOM 168 CA ASN A 14 49.483 -0.094 5.836 1.00 0.00 C ATOM 169 C ASN A 14 50.662 0.803 5.457 1.00 0.00 C ATOM 170 O ASN A 14 51.052 1.681 6.200 1.00 0.00 O ATOM 171 CB ASN A 14 49.991 -1.411 6.422 1.00 0.00 C ATOM 172 CG ASN A 14 50.443 -1.197 7.867 1.00 0.00 C ATOM 173 OD1 ASN A 14 50.551 -2.228 8.661 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 50.704 -0.084 8.278 1.00 0.00 N flip ATOM 0 H ASN A 14 49.098 -0.143 3.735 1.00 0.00 H new ATOM 0 HA ASN A 14 48.869 0.466 6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 14 49.203 -2.163 6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 14 50.820 -1.789 5.824 1.00 0.00 H new ATOM 0 HD21 ASN A 14 50.620 0.721 7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.007 0.045 9.243 1.00 0.00 H new ATOM 181 N SER A 15 51.235 0.577 4.308 1.00 0.00 N ATOM 182 CA SER A 15 52.401 1.406 3.881 1.00 0.00 C ATOM 183 C SER A 15 52.029 2.891 3.829 1.00 0.00 C ATOM 184 O SER A 15 50.930 3.284 4.170 1.00 0.00 O ATOM 185 CB SER A 15 52.759 0.909 2.484 1.00 0.00 C ATOM 186 OG SER A 15 53.678 1.818 1.891 1.00 0.00 O ATOM 0 H SER A 15 50.948 -0.144 3.646 1.00 0.00 H new ATOM 0 HA SER A 15 53.232 1.313 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 15 53.198 -0.087 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.861 0.828 1.871 1.00 0.00 H new ATOM 0 HG SER A 15 54.517 1.811 2.397 1.00 0.00 H new ATOM 192 N LYS A 16 52.950 3.716 3.400 1.00 0.00 N ATOM 193 CA LYS A 16 52.685 5.183 3.314 1.00 0.00 C ATOM 194 C LYS A 16 53.297 5.747 2.024 1.00 0.00 C ATOM 195 O LYS A 16 54.315 5.280 1.555 1.00 0.00 O ATOM 196 CB LYS A 16 53.380 5.777 4.541 1.00 0.00 C ATOM 197 CG LYS A 16 52.585 6.978 5.063 1.00 0.00 C ATOM 198 CD LYS A 16 53.194 7.461 6.384 1.00 0.00 C ATOM 199 CE LYS A 16 52.585 6.678 7.552 1.00 0.00 C ATOM 200 NZ LYS A 16 52.544 7.647 8.685 1.00 0.00 N ATOM 0 H LYS A 16 53.884 3.432 3.103 1.00 0.00 H new ATOM 0 HA LYS A 16 51.621 5.417 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.467 5.021 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.393 6.086 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 16 52.599 7.783 4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 16 51.542 6.700 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 16 54.275 7.326 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 16 53.008 8.527 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 16 51.587 6.315 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 16 53.189 5.805 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 51.907 7.289 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 53.500 7.763 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 52.197 8.566 8.344 1.00 0.00 H new ATOM 214 N CYS A 17 52.682 6.745 1.446 1.00 0.00 N ATOM 215 CA CYS A 17 53.225 7.332 0.186 1.00 0.00 C ATOM 216 C CYS A 17 52.944 8.837 0.136 1.00 0.00 C ATOM 217 O CYS A 17 51.819 9.268 0.292 1.00 0.00 O ATOM 218 CB CYS A 17 52.473 6.616 -0.934 1.00 0.00 C ATOM 219 SG CYS A 17 53.662 5.895 -2.091 1.00 0.00 S ATOM 0 H CYS A 17 51.827 7.179 1.792 1.00 0.00 H new ATOM 0 HA CYS A 17 54.305 7.207 0.105 1.00 0.00 H new ATOM 0 HB2 CYS A 17 51.835 5.836 -0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 17 51.821 7.317 -1.455 1.00 0.00 H new ATOM 0 HG CYS A 17 53.024 5.283 -3.044 1.00 0.00 H new ATOM 224 N GLU A 18 53.950 9.641 -0.083 1.00 0.00 N ATOM 225 CA GLU A 18 53.721 11.117 -0.142 1.00 0.00 C ATOM 226 C GLU A 18 54.152 11.674 -1.502 1.00 0.00 C ATOM 227 O GLU A 18 53.517 12.553 -2.052 1.00 0.00 O ATOM 228 CB GLU A 18 54.587 11.701 0.976 1.00 0.00 C ATOM 229 CG GLU A 18 54.178 13.154 1.235 1.00 0.00 C ATOM 230 CD GLU A 18 54.446 13.508 2.699 1.00 0.00 C ATOM 231 OE1 GLU A 18 53.706 13.038 3.547 1.00 0.00 O ATOM 232 OE2 GLU A 18 55.388 14.243 2.946 1.00 0.00 O ATOM 0 H GLU A 18 54.916 9.344 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 18 52.668 11.372 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 18 54.471 11.112 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 18 55.640 11.653 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 18 54.737 13.822 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 18 53.122 13.292 1.004 1.00 0.00 H new ATOM 239 N LYS A 19 55.225 11.174 -2.047 1.00 0.00 N ATOM 240 CA LYS A 19 55.698 11.675 -3.370 1.00 0.00 C ATOM 241 C LYS A 19 56.881 10.829 -3.849 1.00 0.00 C ATOM 242 O LYS A 19 57.800 11.321 -4.471 1.00 0.00 O ATOM 243 CB LYS A 19 56.137 13.120 -3.112 1.00 0.00 C ATOM 244 CG LYS A 19 56.536 13.783 -4.434 1.00 0.00 C ATOM 245 CD LYS A 19 56.022 15.224 -4.454 1.00 0.00 C ATOM 246 CE LYS A 19 54.493 15.224 -4.511 1.00 0.00 C ATOM 247 NZ LYS A 19 54.159 14.895 -5.925 1.00 0.00 N ATOM 0 H LYS A 19 55.797 10.438 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 19 54.929 11.618 -4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.326 13.678 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 19 56.977 13.136 -2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 19 57.620 13.770 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.121 13.225 -5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 19 56.363 15.754 -3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 19 56.428 15.753 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 19 54.073 14.489 -3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 19 54.088 16.195 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 53.258 15.346 -6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 54.913 15.245 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 54.073 13.864 -6.030 1.00 0.00 H new ATOM 261 N SER A 20 56.865 9.558 -3.552 1.00 0.00 N ATOM 262 CA SER A 20 57.988 8.671 -3.975 1.00 0.00 C ATOM 263 C SER A 20 57.776 8.176 -5.408 1.00 0.00 C ATOM 264 O SER A 20 56.925 8.664 -6.124 1.00 0.00 O ATOM 265 CB SER A 20 57.947 7.497 -2.996 1.00 0.00 C ATOM 266 OG SER A 20 57.146 6.457 -3.542 1.00 0.00 O ATOM 0 H SER A 20 56.120 9.093 -3.033 1.00 0.00 H new ATOM 0 HA SER A 20 58.947 9.190 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 20 58.956 7.132 -2.805 1.00 0.00 H new ATOM 0 HB3 SER A 20 57.539 7.821 -2.039 1.00 0.00 H new ATOM 0 HG SER A 20 56.854 5.857 -2.824 1.00 0.00 H new ATOM 272 N THR A 21 58.545 7.207 -5.829 1.00 0.00 N ATOM 273 CA THR A 21 58.392 6.674 -7.213 1.00 0.00 C ATOM 274 C THR A 21 58.602 5.158 -7.218 1.00 0.00 C ATOM 275 O THR A 21 59.557 4.656 -7.775 1.00 0.00 O ATOM 276 CB THR A 21 59.485 7.362 -8.035 1.00 0.00 C ATOM 277 OG1 THR A 21 59.463 6.861 -9.364 1.00 0.00 O ATOM 278 CG2 THR A 21 60.853 7.083 -7.411 1.00 0.00 C ATOM 0 H THR A 21 59.274 6.761 -5.272 1.00 0.00 H new ATOM 0 HA THR A 21 57.398 6.865 -7.617 1.00 0.00 H new ATOM 0 HB THR A 21 59.305 8.437 -8.045 1.00 0.00 H new ATOM 0 HG1 THR A 21 59.601 5.891 -9.350 1.00 0.00 H new ATOM 0 HG21 THR A 21 61.628 7.574 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 21 60.873 7.467 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 21 61.034 6.008 -7.397 1.00 0.00 H new ATOM 286 N LEU A 22 57.723 4.421 -6.596 1.00 0.00 N ATOM 287 CA LEU A 22 57.888 2.942 -6.570 1.00 0.00 C ATOM 288 C LEU A 22 57.446 2.342 -7.909 1.00 0.00 C ATOM 289 O LEU A 22 56.992 3.042 -8.793 1.00 0.00 O ATOM 290 CB LEU A 22 56.984 2.455 -5.432 1.00 0.00 C ATOM 291 CG LEU A 22 57.260 3.245 -4.141 1.00 0.00 C ATOM 292 CD1 LEU A 22 56.839 2.396 -2.940 1.00 0.00 C ATOM 293 CD2 LEU A 22 58.753 3.573 -4.021 1.00 0.00 C ATOM 0 H LEU A 22 56.902 4.778 -6.107 1.00 0.00 H new ATOM 0 HA LEU A 22 58.925 2.644 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 22 55.938 2.569 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 22 57.152 1.392 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 22 56.694 4.176 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 22 57.031 2.947 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 22 55.776 2.167 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 22 57.410 1.468 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 22 58.930 4.132 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 22 59.328 2.647 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 22 59.064 4.173 -4.876 1.00 0.00 H new ATOM 305 N THR A 23 57.583 1.055 -8.072 1.00 0.00 N ATOM 306 CA THR A 23 57.178 0.421 -9.359 1.00 0.00 C ATOM 307 C THR A 23 57.072 -1.096 -9.181 1.00 0.00 C ATOM 308 O THR A 23 58.021 -1.751 -8.803 1.00 0.00 O ATOM 309 CB THR A 23 58.304 0.781 -10.334 1.00 0.00 C ATOM 310 OG1 THR A 23 58.335 2.190 -10.521 1.00 0.00 O ATOM 311 CG2 THR A 23 58.071 0.090 -11.679 1.00 0.00 C ATOM 0 H THR A 23 57.957 0.415 -7.371 1.00 0.00 H new ATOM 0 HA THR A 23 56.206 0.764 -9.715 1.00 0.00 H new ATOM 0 HB THR A 23 59.256 0.446 -9.922 1.00 0.00 H new ATOM 0 HG1 THR A 23 57.529 2.589 -10.132 1.00 0.00 H new ATOM 0 HG21 THR A 23 58.876 0.351 -12.366 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.053 -0.990 -11.535 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.118 0.416 -12.095 1.00 0.00 H new ATOM 319 N ASN A 24 55.922 -1.658 -9.438 1.00 0.00 N ATOM 320 CA ASN A 24 55.757 -3.130 -9.268 1.00 0.00 C ATOM 321 C ASN A 24 56.121 -3.521 -7.830 1.00 0.00 C ATOM 322 O ASN A 24 56.882 -4.438 -7.591 1.00 0.00 O ATOM 323 CB ASN A 24 56.723 -3.751 -10.280 1.00 0.00 C ATOM 324 CG ASN A 24 56.250 -3.421 -11.700 1.00 0.00 C ATOM 325 OD1 ASN A 24 56.799 -2.552 -12.349 1.00 0.00 O ATOM 326 ND2 ASN A 24 55.245 -4.078 -12.212 1.00 0.00 N ATOM 0 H ASN A 24 55.090 -1.162 -9.758 1.00 0.00 H new ATOM 0 HA ASN A 24 54.736 -3.471 -9.437 1.00 0.00 H new ATOM 0 HB2 ASN A 24 57.731 -3.367 -10.121 1.00 0.00 H new ATOM 0 HB3 ASN A 24 56.768 -4.831 -10.141 1.00 0.00 H new ATOM 0 HD21 ASN A 24 54.922 -3.862 -13.155 1.00 0.00 H new ATOM 0 HD22 ASN A 24 54.783 -4.808 -11.669 1.00 0.00 H new ATOM 333 N CYS A 25 55.581 -2.811 -6.877 1.00 0.00 N ATOM 334 CA CYS A 25 55.877 -3.097 -5.442 1.00 0.00 C ATOM 335 C CYS A 25 54.594 -3.470 -4.683 1.00 0.00 C ATOM 336 O CYS A 25 53.494 -3.238 -5.141 1.00 0.00 O ATOM 337 CB CYS A 25 56.451 -1.783 -4.894 1.00 0.00 C ATOM 338 SG CYS A 25 57.707 -2.138 -3.639 1.00 0.00 S ATOM 0 H CYS A 25 54.939 -2.034 -7.033 1.00 0.00 H new ATOM 0 HA CYS A 25 56.564 -3.936 -5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.889 -1.201 -5.705 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.653 -1.179 -4.462 1.00 0.00 H new ATOM 343 N TYR A 26 54.743 -4.033 -3.515 1.00 0.00 N ATOM 344 CA TYR A 26 53.563 -4.417 -2.685 1.00 0.00 C ATOM 345 C TYR A 26 53.859 -4.045 -1.229 1.00 0.00 C ATOM 346 O TYR A 26 53.342 -4.627 -0.296 1.00 0.00 O ATOM 347 CB TYR A 26 53.433 -5.929 -2.863 1.00 0.00 C ATOM 348 CG TYR A 26 52.514 -6.494 -1.808 1.00 0.00 C ATOM 349 CD1 TYR A 26 51.173 -6.100 -1.763 1.00 0.00 C ATOM 350 CD2 TYR A 26 53.005 -7.414 -0.875 1.00 0.00 C ATOM 351 CE1 TYR A 26 50.321 -6.624 -0.784 1.00 0.00 C ATOM 352 CE2 TYR A 26 52.155 -7.938 0.105 1.00 0.00 C ATOM 353 CZ TYR A 26 50.812 -7.544 0.150 1.00 0.00 C ATOM 354 OH TYR A 26 49.973 -8.059 1.117 1.00 0.00 O ATOM 0 H TYR A 26 55.647 -4.247 -3.093 1.00 0.00 H new ATOM 0 HA TYR A 26 52.639 -3.914 -2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.043 -6.155 -3.856 1.00 0.00 H new ATOM 0 HB3 TYR A 26 54.414 -6.398 -2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 26 50.794 -5.391 -2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 26 54.040 -7.720 -0.911 1.00 0.00 H new ATOM 0 HE1 TYR A 26 49.286 -6.319 -0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 26 52.535 -8.646 0.827 1.00 0.00 H new ATOM 0 HH TYR A 26 50.039 -7.516 1.930 1.00 0.00 H new ATOM 364 N VAL A 27 54.711 -3.067 -1.066 1.00 0.00 N ATOM 365 CA VAL A 27 55.129 -2.570 0.286 1.00 0.00 C ATOM 366 C VAL A 27 54.119 -2.917 1.393 1.00 0.00 C ATOM 367 O VAL A 27 52.922 -2.908 1.186 1.00 0.00 O ATOM 368 CB VAL A 27 55.190 -1.052 0.116 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.853 -0.423 1.336 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.975 -0.688 -1.155 1.00 0.00 C ATOM 0 H VAL A 27 55.152 -2.573 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 27 56.069 -3.028 0.594 1.00 0.00 H new ATOM 0 HB VAL A 27 54.175 -0.667 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.894 0.659 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 27 55.275 -0.663 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.865 -0.815 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.010 0.396 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.990 -1.078 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.482 -1.123 -2.024 1.00 0.00 H new ATOM 380 N ASP A 28 54.607 -3.195 2.579 1.00 0.00 N ATOM 381 CA ASP A 28 53.697 -3.517 3.721 1.00 0.00 C ATOM 382 C ASP A 28 54.293 -2.979 5.028 1.00 0.00 C ATOM 383 O ASP A 28 55.496 -2.942 5.194 1.00 0.00 O ATOM 384 CB ASP A 28 53.616 -5.043 3.766 1.00 0.00 C ATOM 385 CG ASP A 28 52.546 -5.459 4.777 1.00 0.00 C ATOM 386 OD1 ASP A 28 52.370 -4.743 5.749 1.00 0.00 O ATOM 387 OD2 ASP A 28 51.921 -6.485 4.565 1.00 0.00 O ATOM 0 H ASP A 28 55.602 -3.212 2.804 1.00 0.00 H new ATOM 0 HA ASP A 28 52.712 -3.066 3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 28 53.373 -5.436 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.582 -5.463 4.047 1.00 0.00 H new ATOM 392 N LYS A 29 53.459 -2.564 5.952 1.00 0.00 N ATOM 393 CA LYS A 29 53.966 -2.021 7.254 1.00 0.00 C ATOM 394 C LYS A 29 55.263 -1.243 7.036 1.00 0.00 C ATOM 395 O LYS A 29 56.200 -1.350 7.800 1.00 0.00 O ATOM 396 CB LYS A 29 54.225 -3.246 8.132 1.00 0.00 C ATOM 397 CG LYS A 29 52.894 -3.848 8.583 1.00 0.00 C ATOM 398 CD LYS A 29 53.066 -5.354 8.773 1.00 0.00 C ATOM 399 CE LYS A 29 54.065 -5.611 9.902 1.00 0.00 C ATOM 400 NZ LYS A 29 54.229 -7.089 9.932 1.00 0.00 N ATOM 0 H LYS A 29 52.443 -2.578 5.860 1.00 0.00 H new ATOM 0 HA LYS A 29 53.253 -1.335 7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.801 -3.987 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.820 -2.964 9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.569 -3.386 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.120 -3.648 7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 29 52.107 -5.814 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 29 53.419 -5.811 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 29 55.015 -5.111 9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 29 53.692 -5.235 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 54.901 -7.349 10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 53.309 -7.537 10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 54.591 -7.417 9.014 1.00 0.00 H new ATOM 414 N SER A 30 55.330 -0.467 5.993 1.00 0.00 N ATOM 415 CA SER A 30 56.576 0.301 5.726 1.00 0.00 C ATOM 416 C SER A 30 56.256 1.759 5.393 1.00 0.00 C ATOM 417 O SER A 30 55.211 2.075 4.858 1.00 0.00 O ATOM 418 CB SER A 30 57.214 -0.397 4.526 1.00 0.00 C ATOM 419 OG SER A 30 57.607 -1.710 4.902 1.00 0.00 O ATOM 0 H SER A 30 54.579 -0.331 5.316 1.00 0.00 H new ATOM 0 HA SER A 30 57.237 0.322 6.592 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.507 -0.440 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.079 0.169 4.179 1.00 0.00 H new ATOM 0 HG SER A 30 56.923 -2.351 4.615 1.00 0.00 H new ATOM 425 N GLU A 31 57.157 2.649 5.703 1.00 0.00 N ATOM 426 CA GLU A 31 56.926 4.089 5.401 1.00 0.00 C ATOM 427 C GLU A 31 57.995 4.588 4.429 1.00 0.00 C ATOM 428 O GLU A 31 59.105 4.884 4.816 1.00 0.00 O ATOM 429 CB GLU A 31 57.044 4.802 6.750 1.00 0.00 C ATOM 430 CG GLU A 31 55.650 4.952 7.364 1.00 0.00 C ATOM 431 CD GLU A 31 55.776 5.393 8.824 1.00 0.00 C ATOM 432 OE1 GLU A 31 56.389 4.670 9.591 1.00 0.00 O ATOM 433 OE2 GLU A 31 55.255 6.447 9.149 1.00 0.00 O ATOM 0 H GLU A 31 58.047 2.440 6.155 1.00 0.00 H new ATOM 0 HA GLU A 31 55.958 4.270 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.690 4.234 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.504 5.782 6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 31 55.071 5.684 6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.112 4.006 7.305 1.00 0.00 H new ATOM 440 N VAL A 32 57.668 4.669 3.168 1.00 0.00 N ATOM 441 CA VAL A 32 58.667 5.133 2.160 1.00 0.00 C ATOM 442 C VAL A 32 58.447 6.614 1.827 1.00 0.00 C ATOM 443 O VAL A 32 57.412 7.179 2.122 1.00 0.00 O ATOM 444 CB VAL A 32 58.408 4.259 0.933 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.494 4.501 -0.110 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.427 2.783 1.343 1.00 0.00 C ATOM 0 H VAL A 32 56.750 4.434 2.790 1.00 0.00 H new ATOM 0 HA VAL A 32 59.692 5.046 2.520 1.00 0.00 H new ATOM 0 HB VAL A 32 57.435 4.513 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 32 59.306 3.876 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.487 5.550 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.467 4.250 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.242 2.160 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.401 2.535 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.652 2.602 2.087 1.00 0.00 H new ATOM 456 N TYR A 33 59.419 7.254 1.224 1.00 0.00 N ATOM 457 CA TYR A 33 59.256 8.704 0.890 1.00 0.00 C ATOM 458 C TYR A 33 60.018 9.088 -0.392 1.00 0.00 C ATOM 459 O TYR A 33 59.807 10.149 -0.946 1.00 0.00 O ATOM 460 CB TYR A 33 59.842 9.448 2.089 1.00 0.00 C ATOM 461 CG TYR A 33 58.855 9.440 3.235 1.00 0.00 C ATOM 462 CD1 TYR A 33 57.808 10.368 3.260 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.992 8.511 4.275 1.00 0.00 C ATOM 464 CE1 TYR A 33 56.898 10.369 4.322 1.00 0.00 C ATOM 465 CE2 TYR A 33 58.083 8.514 5.339 1.00 0.00 C ATOM 466 CZ TYR A 33 57.035 9.444 5.363 1.00 0.00 C ATOM 467 OH TYR A 33 56.141 9.449 6.414 1.00 0.00 O ATOM 0 H TYR A 33 60.310 6.840 0.951 1.00 0.00 H new ATOM 0 HA TYR A 33 58.211 8.950 0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.775 8.978 2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.080 10.475 1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 33 57.703 11.084 2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 33 59.799 7.793 4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 33 56.089 11.084 4.339 1.00 0.00 H new ATOM 0 HE2 TYR A 33 58.189 7.799 6.142 1.00 0.00 H new ATOM 0 HH TYR A 33 56.379 8.742 7.049 1.00 0.00 H new ATOM 477 N GLY A 34 60.909 8.256 -0.866 1.00 0.00 N ATOM 478 CA GLY A 34 61.669 8.613 -2.102 1.00 0.00 C ATOM 479 C GLY A 34 62.341 7.368 -2.679 1.00 0.00 C ATOM 480 O GLY A 34 63.352 7.449 -3.350 1.00 0.00 O ATOM 0 H GLY A 34 61.142 7.352 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.995 9.048 -2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.420 9.368 -1.872 1.00 0.00 H new ATOM 484 N THR A 35 61.791 6.216 -2.421 1.00 0.00 N ATOM 485 CA THR A 35 62.393 4.960 -2.950 1.00 0.00 C ATOM 486 C THR A 35 61.965 4.723 -4.401 1.00 0.00 C ATOM 487 O THR A 35 61.075 5.376 -4.912 1.00 0.00 O ATOM 488 CB THR A 35 61.839 3.855 -2.053 1.00 0.00 C ATOM 489 OG1 THR A 35 62.348 4.008 -0.735 1.00 0.00 O ATOM 490 CG2 THR A 35 62.255 2.495 -2.606 1.00 0.00 C ATOM 0 H THR A 35 60.946 6.089 -1.864 1.00 0.00 H new ATOM 0 HA THR A 35 63.482 4.997 -2.945 1.00 0.00 H new ATOM 0 HB THR A 35 60.751 3.921 -2.029 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.785 4.881 -0.653 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.860 1.706 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.860 2.376 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.343 2.430 -2.632 1.00 0.00 H new ATOM 498 N THR A 36 62.589 3.786 -5.065 1.00 0.00 N ATOM 499 CA THR A 36 62.220 3.487 -6.479 1.00 0.00 C ATOM 500 C THR A 36 61.984 1.981 -6.642 1.00 0.00 C ATOM 501 O THR A 36 62.560 1.342 -7.499 1.00 0.00 O ATOM 502 CB THR A 36 63.422 3.935 -7.317 1.00 0.00 C ATOM 503 OG1 THR A 36 63.727 5.292 -7.019 1.00 0.00 O ATOM 504 CG2 THR A 36 63.090 3.799 -8.809 1.00 0.00 C ATOM 0 H THR A 36 63.342 3.212 -4.686 1.00 0.00 H new ATOM 0 HA THR A 36 61.306 3.996 -6.786 1.00 0.00 H new ATOM 0 HB THR A 36 64.282 3.308 -7.081 1.00 0.00 H new ATOM 0 HG1 THR A 36 64.497 5.579 -7.553 1.00 0.00 H new ATOM 0 HG21 THR A 36 63.946 4.118 -9.403 1.00 0.00 H new ATOM 0 HG22 THR A 36 62.858 2.759 -9.037 1.00 0.00 H new ATOM 0 HG23 THR A 36 62.229 4.423 -9.049 1.00 0.00 H new ATOM 512 N CYS A 37 61.147 1.410 -5.817 1.00 0.00 N ATOM 513 CA CYS A 37 60.881 -0.054 -5.917 1.00 0.00 C ATOM 514 C CYS A 37 60.696 -0.458 -7.383 1.00 0.00 C ATOM 515 O CYS A 37 59.662 -0.229 -7.977 1.00 0.00 O ATOM 516 CB CYS A 37 59.591 -0.273 -5.121 1.00 0.00 C ATOM 517 SG CYS A 37 59.463 -2.015 -4.636 1.00 0.00 S ATOM 0 H CYS A 37 60.636 1.894 -5.079 1.00 0.00 H new ATOM 0 HA CYS A 37 61.703 -0.656 -5.529 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.586 0.363 -4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 37 58.728 0.012 -5.723 1.00 0.00 H new ATOM 522 N THR A 38 61.696 -1.059 -7.968 1.00 0.00 N ATOM 523 CA THR A 38 61.581 -1.481 -9.392 1.00 0.00 C ATOM 524 C THR A 38 61.159 -2.951 -9.474 1.00 0.00 C ATOM 525 O THR A 38 61.581 -3.681 -10.350 1.00 0.00 O ATOM 526 CB THR A 38 62.983 -1.284 -9.978 1.00 0.00 C ATOM 527 OG1 THR A 38 62.930 -1.427 -11.392 1.00 0.00 O ATOM 528 CG2 THR A 38 63.936 -2.329 -9.393 1.00 0.00 C ATOM 0 H THR A 38 62.587 -1.276 -7.521 1.00 0.00 H new ATOM 0 HA THR A 38 60.831 -0.907 -9.936 1.00 0.00 H new ATOM 0 HB THR A 38 63.344 -0.286 -9.727 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.452 -2.251 -11.620 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.933 -2.187 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 38 63.978 -2.217 -8.310 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.577 -3.328 -9.641 1.00 0.00 H new ATOM 536 N GLY A 39 60.327 -3.389 -8.569 1.00 0.00 N ATOM 537 CA GLY A 39 59.877 -4.807 -8.596 1.00 0.00 C ATOM 538 C GLY A 39 60.255 -5.494 -7.281 1.00 0.00 C ATOM 539 O GLY A 39 60.391 -6.699 -7.215 1.00 0.00 O ATOM 0 H GLY A 39 59.940 -2.825 -7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 39 58.798 -4.853 -8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.337 -5.329 -9.435 1.00 0.00 H new ATOM 543 N SER A 40 60.413 -4.734 -6.232 1.00 0.00 N ATOM 544 CA SER A 40 60.769 -5.336 -4.913 1.00 0.00 C ATOM 545 C SER A 40 59.621 -5.112 -3.922 1.00 0.00 C ATOM 546 O SER A 40 58.530 -4.735 -4.306 1.00 0.00 O ATOM 547 CB SER A 40 62.030 -4.594 -4.466 1.00 0.00 C ATOM 548 OG SER A 40 61.804 -3.987 -3.200 1.00 0.00 O ATOM 0 H SER A 40 60.311 -3.719 -6.230 1.00 0.00 H new ATOM 0 HA SER A 40 60.938 -6.411 -4.970 1.00 0.00 H new ATOM 0 HB2 SER A 40 62.869 -5.287 -4.403 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.298 -3.835 -5.202 1.00 0.00 H new ATOM 0 HG SER A 40 61.220 -3.208 -3.310 1.00 0.00 H new ATOM 554 N ARG A 41 59.846 -5.335 -2.654 1.00 0.00 N ATOM 555 CA ARG A 41 58.746 -5.122 -1.667 1.00 0.00 C ATOM 556 C ARG A 41 59.292 -5.064 -0.232 1.00 0.00 C ATOM 557 O ARG A 41 60.410 -5.456 0.041 1.00 0.00 O ATOM 558 CB ARG A 41 57.815 -6.326 -1.839 1.00 0.00 C ATOM 559 CG ARG A 41 58.591 -7.622 -1.606 1.00 0.00 C ATOM 560 CD ARG A 41 57.874 -8.453 -0.540 1.00 0.00 C ATOM 561 NE ARG A 41 58.629 -9.734 -0.478 1.00 0.00 N ATOM 562 CZ ARG A 41 58.342 -10.699 -1.305 1.00 0.00 C ATOM 563 NH1 ARG A 41 57.389 -11.545 -1.015 1.00 0.00 N ATOM 564 NH2 ARG A 41 59.002 -10.817 -2.424 1.00 0.00 N ATOM 0 H ARG A 41 60.733 -5.652 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 41 58.232 -4.176 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.985 -6.258 -1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.386 -6.324 -2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 41 58.666 -8.187 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 41 59.609 -7.398 -1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 41 57.878 -7.946 0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 41 56.831 -8.622 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 41 59.371 -9.856 0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.871 -11.449 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 41 57.164 -12.301 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 41 59.743 -10.154 -2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 41 58.777 -11.573 -3.071 1.00 0.00 H new ATOM 578 N PHE A 42 58.497 -4.578 0.689 1.00 0.00 N ATOM 579 CA PHE A 42 58.942 -4.490 2.115 1.00 0.00 C ATOM 580 C PHE A 42 57.963 -5.253 3.016 1.00 0.00 C ATOM 581 O PHE A 42 57.012 -5.846 2.547 1.00 0.00 O ATOM 582 CB PHE A 42 58.904 -3.000 2.457 1.00 0.00 C ATOM 583 CG PHE A 42 59.579 -2.205 1.367 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.712 -2.716 0.723 1.00 0.00 C ATOM 585 CD2 PHE A 42 59.074 -0.952 1.008 1.00 0.00 C ATOM 586 CE1 PHE A 42 61.338 -1.971 -0.284 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.697 -0.209 0.000 1.00 0.00 C ATOM 588 CZ PHE A 42 60.831 -0.717 -0.643 1.00 0.00 C ATOM 0 H PHE A 42 57.552 -4.236 0.513 1.00 0.00 H new ATOM 0 HA PHE A 42 59.932 -4.921 2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.871 -2.671 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.403 -2.824 3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 42 61.103 -3.683 1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 42 58.202 -0.557 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 42 62.211 -2.364 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 42 59.303 0.756 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 42 61.316 -0.141 -1.417 1.00 0.00 H new ATOM 598 N ASP A 43 58.180 -5.231 4.307 1.00 0.00 N ATOM 599 CA ASP A 43 57.249 -5.944 5.236 1.00 0.00 C ATOM 600 C ASP A 43 57.488 -5.497 6.682 1.00 0.00 C ATOM 601 O ASP A 43 57.701 -6.303 7.565 1.00 0.00 O ATOM 602 CB ASP A 43 57.579 -7.430 5.080 1.00 0.00 C ATOM 603 CG ASP A 43 56.285 -8.243 5.113 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.622 -8.220 6.137 1.00 0.00 O ATOM 605 OD2 ASP A 43 55.979 -8.873 4.117 1.00 0.00 O ATOM 0 H ASP A 43 58.959 -4.752 4.758 1.00 0.00 H new ATOM 0 HA ASP A 43 56.205 -5.731 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.105 -7.600 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.245 -7.752 5.881 1.00 0.00 H new ATOM 610 N GLY A 44 57.451 -4.218 6.930 1.00 0.00 N ATOM 611 CA GLY A 44 57.673 -3.725 8.317 1.00 0.00 C ATOM 612 C GLY A 44 58.925 -2.850 8.344 1.00 0.00 C ATOM 613 O GLY A 44 59.925 -3.209 8.932 1.00 0.00 O ATOM 0 H GLY A 44 57.277 -3.494 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.808 -3.154 8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.788 -4.566 9.001 1.00 0.00 H new ATOM 617 N VAL A 45 58.895 -1.711 7.704 1.00 0.00 N ATOM 618 CA VAL A 45 60.112 -0.847 7.699 1.00 0.00 C ATOM 619 C VAL A 45 59.748 0.641 7.755 1.00 0.00 C ATOM 620 O VAL A 45 58.655 1.021 8.127 1.00 0.00 O ATOM 621 CB VAL A 45 60.828 -1.172 6.376 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.733 -2.670 6.087 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.175 -0.404 5.219 1.00 0.00 C ATOM 0 H VAL A 45 58.093 -1.345 7.191 1.00 0.00 H new ATOM 0 HA VAL A 45 60.737 -1.039 8.571 1.00 0.00 H new ATOM 0 HB VAL A 45 61.873 -0.878 6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.242 -2.893 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.204 -3.227 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.685 -2.960 6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.690 -0.642 4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.127 -0.691 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.244 0.667 5.408 1.00 0.00 H new ATOM 633 N THR A 46 60.671 1.474 7.365 1.00 0.00 N ATOM 634 CA THR A 46 60.435 2.945 7.353 1.00 0.00 C ATOM 635 C THR A 46 61.526 3.605 6.517 1.00 0.00 C ATOM 636 O THR A 46 62.277 4.432 6.992 1.00 0.00 O ATOM 637 CB THR A 46 60.540 3.397 8.808 1.00 0.00 C ATOM 638 OG1 THR A 46 59.549 2.740 9.583 1.00 0.00 O ATOM 639 CG2 THR A 46 60.330 4.911 8.883 1.00 0.00 C ATOM 0 H THR A 46 61.598 1.192 7.047 1.00 0.00 H new ATOM 0 HA THR A 46 59.467 3.211 6.929 1.00 0.00 H new ATOM 0 HB THR A 46 61.526 3.146 9.198 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.815 2.454 9.001 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.404 5.238 9.920 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.093 5.414 8.289 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.343 5.161 8.494 1.00 0.00 H new ATOM 647 N ILE A 47 61.637 3.222 5.278 1.00 0.00 N ATOM 648 CA ILE A 47 62.697 3.800 4.412 1.00 0.00 C ATOM 649 C ILE A 47 62.269 5.161 3.859 1.00 0.00 C ATOM 650 O ILE A 47 61.114 5.527 3.892 1.00 0.00 O ATOM 651 CB ILE A 47 62.865 2.786 3.278 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.832 3.337 2.225 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.509 2.510 2.626 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.184 2.225 1.233 1.00 0.00 C ATOM 0 H ILE A 47 61.037 2.531 4.827 1.00 0.00 H new ATOM 0 HA ILE A 47 63.625 3.970 4.958 1.00 0.00 H new ATOM 0 HB ILE A 47 63.267 1.859 3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.377 4.178 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.736 3.712 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.633 1.788 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.822 2.108 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.104 3.438 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 47 64.872 2.612 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 47 64.655 1.399 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.276 1.871 0.745 1.00 0.00 H new ATOM 666 N THR A 48 63.200 5.900 3.337 1.00 0.00 N ATOM 667 CA THR A 48 62.872 7.230 2.758 1.00 0.00 C ATOM 668 C THR A 48 63.515 7.318 1.376 1.00 0.00 C ATOM 669 O THR A 48 63.588 6.336 0.664 1.00 0.00 O ATOM 670 CB THR A 48 63.479 8.250 3.728 1.00 0.00 C ATOM 671 OG1 THR A 48 64.832 7.910 3.984 1.00 0.00 O ATOM 672 CG2 THR A 48 62.691 8.238 5.038 1.00 0.00 C ATOM 0 H THR A 48 64.185 5.639 3.285 1.00 0.00 H new ATOM 0 HA THR A 48 61.803 7.406 2.638 1.00 0.00 H new ATOM 0 HB THR A 48 63.433 9.246 3.287 1.00 0.00 H new ATOM 0 HG1 THR A 48 64.986 7.887 4.952 1.00 0.00 H new ATOM 0 HG21 THR A 48 63.122 8.963 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.651 8.499 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.737 7.243 5.481 1.00 0.00 H new ATOM 680 N THR A 49 64.004 8.457 0.984 1.00 0.00 N ATOM 681 CA THR A 49 64.653 8.530 -0.348 1.00 0.00 C ATOM 682 C THR A 49 65.770 7.493 -0.392 1.00 0.00 C ATOM 683 O THR A 49 66.763 7.622 0.290 1.00 0.00 O ATOM 684 CB THR A 49 65.229 9.937 -0.447 1.00 0.00 C ATOM 685 OG1 THR A 49 64.169 10.879 -0.521 1.00 0.00 O ATOM 686 CG2 THR A 49 66.097 10.036 -1.700 1.00 0.00 C ATOM 0 H THR A 49 63.984 9.326 1.518 1.00 0.00 H new ATOM 0 HA THR A 49 63.965 8.332 -1.170 1.00 0.00 H new ATOM 0 HB THR A 49 65.835 10.150 0.433 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.539 11.784 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.512 11.041 -1.777 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.909 9.312 -1.638 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.490 9.826 -2.581 1.00 0.00 H new ATOM 694 N SER A 50 65.613 6.458 -1.162 1.00 0.00 N ATOM 695 CA SER A 50 66.677 5.419 -1.207 1.00 0.00 C ATOM 696 C SER A 50 66.535 4.554 -2.459 1.00 0.00 C ATOM 697 O SER A 50 65.450 4.149 -2.828 1.00 0.00 O ATOM 698 CB SER A 50 66.446 4.581 0.051 1.00 0.00 C ATOM 699 OG SER A 50 66.886 3.248 -0.183 1.00 0.00 O ATOM 0 H SER A 50 64.803 6.285 -1.758 1.00 0.00 H new ATOM 0 HA SER A 50 67.677 5.852 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.987 5.012 0.893 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.389 4.586 0.316 1.00 0.00 H new ATOM 0 HG SER A 50 67.859 3.240 -0.298 1.00 0.00 H new ATOM 705 N THR A 51 67.625 4.262 -3.111 1.00 0.00 N ATOM 706 CA THR A 51 67.558 3.418 -4.332 1.00 0.00 C ATOM 707 C THR A 51 67.911 1.970 -3.977 1.00 0.00 C ATOM 708 O THR A 51 68.975 1.691 -3.464 1.00 0.00 O ATOM 709 CB THR A 51 68.602 4.006 -5.282 1.00 0.00 C ATOM 710 OG1 THR A 51 69.192 5.158 -4.696 1.00 0.00 O ATOM 711 CG2 THR A 51 67.936 4.392 -6.602 1.00 0.00 C ATOM 0 H THR A 51 68.561 4.573 -2.849 1.00 0.00 H new ATOM 0 HA THR A 51 66.564 3.410 -4.780 1.00 0.00 H new ATOM 0 HB THR A 51 69.375 3.260 -5.469 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.465 5.781 -5.402 1.00 0.00 H new ATOM 0 HG21 THR A 51 68.682 4.811 -7.277 1.00 0.00 H new ATOM 0 HG22 THR A 51 67.491 3.507 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.159 5.134 -6.415 1.00 0.00 H new ATOM 719 N SER A 52 67.027 1.047 -4.241 1.00 0.00 N ATOM 720 CA SER A 52 67.320 -0.378 -3.908 1.00 0.00 C ATOM 721 C SER A 52 66.912 -1.294 -5.065 1.00 0.00 C ATOM 722 O SER A 52 65.806 -1.229 -5.561 1.00 0.00 O ATOM 723 CB SER A 52 66.480 -0.676 -2.663 1.00 0.00 C ATOM 724 OG SER A 52 65.664 -1.819 -2.899 1.00 0.00 O ATOM 0 H SER A 52 66.118 1.216 -4.671 1.00 0.00 H new ATOM 0 HA SER A 52 68.382 -0.548 -3.734 1.00 0.00 H new ATOM 0 HB2 SER A 52 67.131 -0.852 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 52 65.857 0.184 -2.418 1.00 0.00 H new ATOM 0 HG SER A 52 65.613 -2.359 -2.083 1.00 0.00 H new ATOM 730 N THR A 53 67.797 -2.154 -5.489 1.00 0.00 N ATOM 731 CA THR A 53 67.461 -3.084 -6.604 1.00 0.00 C ATOM 732 C THR A 53 67.296 -4.502 -6.052 1.00 0.00 C ATOM 733 O THR A 53 68.263 -5.180 -5.768 1.00 0.00 O ATOM 734 CB THR A 53 68.657 -3.016 -7.559 1.00 0.00 C ATOM 735 OG1 THR A 53 69.452 -1.883 -7.240 1.00 0.00 O ATOM 736 CG2 THR A 53 68.157 -2.904 -8.999 1.00 0.00 C ATOM 0 H THR A 53 68.739 -2.253 -5.111 1.00 0.00 H new ATOM 0 HA THR A 53 66.531 -2.817 -7.106 1.00 0.00 H new ATOM 0 HB THR A 53 69.257 -3.920 -7.456 1.00 0.00 H new ATOM 0 HG1 THR A 53 70.218 -1.839 -7.849 1.00 0.00 H new ATOM 0 HG21 THR A 53 69.009 -2.856 -9.677 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.549 -3.775 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.556 -2.001 -9.106 1.00 0.00 H new ATOM 744 N GLY A 54 66.081 -4.948 -5.879 1.00 0.00 N ATOM 745 CA GLY A 54 65.865 -6.314 -5.327 1.00 0.00 C ATOM 746 C GLY A 54 66.397 -6.356 -3.894 1.00 0.00 C ATOM 747 O GLY A 54 67.584 -6.484 -3.669 1.00 0.00 O ATOM 0 H GLY A 54 65.232 -4.426 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.804 -6.564 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.377 -7.055 -5.941 1.00 0.00 H new ATOM 751 N SER A 55 65.534 -6.231 -2.923 1.00 0.00 N ATOM 752 CA SER A 55 66.005 -6.247 -1.507 1.00 0.00 C ATOM 753 C SER A 55 64.816 -6.225 -0.545 1.00 0.00 C ATOM 754 O SER A 55 64.132 -5.229 -0.419 1.00 0.00 O ATOM 755 CB SER A 55 66.821 -4.965 -1.361 1.00 0.00 C ATOM 756 OG SER A 55 65.948 -3.846 -1.447 1.00 0.00 O ATOM 0 H SER A 55 64.528 -6.119 -3.047 1.00 0.00 H new ATOM 0 HA SER A 55 66.583 -7.142 -1.275 1.00 0.00 H new ATOM 0 HB2 SER A 55 67.346 -4.960 -0.406 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.580 -4.911 -2.142 1.00 0.00 H new ATOM 0 HG SER A 55 65.023 -4.143 -1.320 1.00 0.00 H new ATOM 762 N ARG A 56 64.571 -7.304 0.149 1.00 0.00 N ATOM 763 CA ARG A 56 63.433 -7.314 1.112 1.00 0.00 C ATOM 764 C ARG A 56 63.840 -6.559 2.378 1.00 0.00 C ATOM 765 O ARG A 56 64.702 -6.981 3.121 1.00 0.00 O ATOM 766 CB ARG A 56 63.154 -8.791 1.413 1.00 0.00 C ATOM 767 CG ARG A 56 64.453 -9.512 1.789 1.00 0.00 C ATOM 768 CD ARG A 56 64.128 -10.709 2.691 1.00 0.00 C ATOM 769 NE ARG A 56 63.676 -11.779 1.759 1.00 0.00 N ATOM 770 CZ ARG A 56 63.431 -12.984 2.206 1.00 0.00 C ATOM 771 NH1 ARG A 56 64.364 -13.651 2.832 1.00 0.00 N ATOM 772 NH2 ARG A 56 62.256 -13.520 2.022 1.00 0.00 N ATOM 0 H ARG A 56 65.104 -8.171 0.092 1.00 0.00 H new ATOM 0 HA ARG A 56 62.542 -6.827 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 56 62.435 -8.873 2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 56 62.704 -9.268 0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 56 64.968 -9.849 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 56 65.126 -8.827 2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 56 65.003 -11.024 3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 56 63.351 -10.460 3.413 1.00 0.00 H new ATOM 0 HE ARG A 56 63.557 -11.571 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 56 65.283 -13.232 2.972 1.00 0.00 H new ATOM 0 HH12 ARG A 56 64.173 -14.590 3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 56 61.530 -13.000 1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 56 62.064 -14.459 2.370 1.00 0.00 H new ATOM 786 N ILE A 57 63.239 -5.431 2.619 1.00 0.00 N ATOM 787 CA ILE A 57 63.606 -4.640 3.823 1.00 0.00 C ATOM 788 C ILE A 57 62.784 -5.089 5.031 1.00 0.00 C ATOM 789 O ILE A 57 62.645 -4.370 6.000 1.00 0.00 O ATOM 790 CB ILE A 57 63.299 -3.192 3.446 1.00 0.00 C ATOM 791 CG1 ILE A 57 64.005 -2.861 2.131 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.816 -2.266 4.546 1.00 0.00 C ATOM 793 CD1 ILE A 57 65.484 -3.224 2.253 1.00 0.00 C ATOM 0 H ILE A 57 62.510 -5.022 2.035 1.00 0.00 H new ATOM 0 HA ILE A 57 64.651 -4.769 4.105 1.00 0.00 H new ATOM 0 HB ILE A 57 62.223 -3.057 3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 57 63.549 -3.414 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.896 -1.801 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.599 -1.231 4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.325 -2.510 5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.893 -2.395 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.994 -2.991 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.933 -2.652 3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.581 -4.289 2.463 1.00 0.00 H new ATOM 805 N SER A 58 62.248 -6.278 4.990 1.00 0.00 N ATOM 806 CA SER A 58 61.445 -6.772 6.145 1.00 0.00 C ATOM 807 C SER A 58 62.172 -6.473 7.459 1.00 0.00 C ATOM 808 O SER A 58 63.365 -6.250 7.481 1.00 0.00 O ATOM 809 CB SER A 58 61.340 -8.279 5.935 1.00 0.00 C ATOM 810 OG SER A 58 60.267 -8.556 5.047 1.00 0.00 O ATOM 0 H SER A 58 62.331 -6.928 4.208 1.00 0.00 H new ATOM 0 HA SER A 58 60.467 -6.294 6.201 1.00 0.00 H new ATOM 0 HB2 SER A 58 62.274 -8.667 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.176 -8.780 6.889 1.00 0.00 H new ATOM 0 HG SER A 58 60.198 -9.524 4.909 1.00 0.00 H new ATOM 816 N GLY A 59 61.465 -6.471 8.555 1.00 0.00 N ATOM 817 CA GLY A 59 62.125 -6.191 9.860 1.00 0.00 C ATOM 818 C GLY A 59 61.110 -5.585 10.828 1.00 0.00 C ATOM 819 O GLY A 59 60.065 -5.119 10.421 1.00 0.00 O ATOM 0 H GLY A 59 60.462 -6.651 8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.535 -7.111 10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.960 -5.506 9.717 1.00 0.00 H new ATOM 823 N PRO A 60 61.458 -5.608 12.085 1.00 0.00 N ATOM 824 CA PRO A 60 60.572 -5.048 13.127 1.00 0.00 C ATOM 825 C PRO A 60 60.730 -3.527 13.180 1.00 0.00 C ATOM 826 O PRO A 60 60.898 -2.948 14.235 1.00 0.00 O ATOM 827 CB PRO A 60 61.088 -5.685 14.412 1.00 0.00 C ATOM 828 CG PRO A 60 62.524 -6.021 14.142 1.00 0.00 C ATOM 829 CD PRO A 60 62.697 -6.156 12.647 1.00 0.00 C ATOM 0 HA PRO A 60 59.515 -5.248 12.952 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.997 -4.999 15.254 1.00 0.00 H new ATOM 0 HB3 PRO A 60 60.516 -6.578 14.665 1.00 0.00 H new ATOM 0 HG2 PRO A 60 63.178 -5.242 14.533 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.799 -6.949 14.643 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.570 -5.605 12.297 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.839 -7.197 12.356 1.00 0.00 H new ATOM 837 N GLY A 61 60.689 -2.878 12.048 1.00 0.00 N ATOM 838 CA GLY A 61 60.850 -1.396 12.025 1.00 0.00 C ATOM 839 C GLY A 61 62.013 -1.028 11.099 1.00 0.00 C ATOM 840 O GLY A 61 62.525 0.073 11.140 1.00 0.00 O ATOM 0 H GLY A 61 60.550 -3.312 11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 61 59.931 -0.924 11.678 1.00 0.00 H new ATOM 0 HA3 GLY A 61 61.040 -1.024 13.032 1.00 0.00 H new ATOM 844 N CYS A 62 62.431 -1.948 10.268 1.00 0.00 N ATOM 845 CA CYS A 62 63.561 -1.678 9.331 1.00 0.00 C ATOM 846 C CYS A 62 63.516 -0.235 8.818 1.00 0.00 C ATOM 847 O CYS A 62 62.588 0.168 8.145 1.00 0.00 O ATOM 848 CB CYS A 62 63.347 -2.659 8.179 1.00 0.00 C ATOM 849 SG CYS A 62 64.936 -3.028 7.392 1.00 0.00 S ATOM 0 H CYS A 62 62.033 -2.884 10.199 1.00 0.00 H new ATOM 0 HA CYS A 62 64.531 -1.803 9.813 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.891 -3.577 8.550 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.658 -2.234 7.449 1.00 0.00 H new ATOM 854 N LYS A 63 64.519 0.543 9.132 1.00 0.00 N ATOM 855 CA LYS A 63 64.549 1.959 8.666 1.00 0.00 C ATOM 856 C LYS A 63 65.606 2.124 7.565 1.00 0.00 C ATOM 857 O LYS A 63 66.563 1.382 7.500 1.00 0.00 O ATOM 858 CB LYS A 63 64.926 2.766 9.911 1.00 0.00 C ATOM 859 CG LYS A 63 65.063 4.246 9.554 1.00 0.00 C ATOM 860 CD LYS A 63 65.481 5.030 10.803 1.00 0.00 C ATOM 861 CE LYS A 63 65.539 6.525 10.479 1.00 0.00 C ATOM 862 NZ LYS A 63 66.976 6.816 10.205 1.00 0.00 N ATOM 0 H LYS A 63 65.321 0.256 9.693 1.00 0.00 H new ATOM 0 HA LYS A 63 63.600 2.286 8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.165 2.638 10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.864 2.395 10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.804 4.375 8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 63 64.118 4.629 9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 63 64.772 4.851 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 63 66.455 4.686 11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 63 64.918 6.764 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 63 65.169 7.122 11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 67.088 7.824 9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 67.543 6.587 11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 67.300 6.240 9.402 1.00 0.00 H new ATOM 876 N ILE A 64 65.444 3.083 6.697 1.00 0.00 N ATOM 877 CA ILE A 64 66.450 3.283 5.607 1.00 0.00 C ATOM 878 C ILE A 64 66.462 4.751 5.182 1.00 0.00 C ATOM 879 O ILE A 64 65.429 5.337 4.926 1.00 0.00 O ATOM 880 CB ILE A 64 65.987 2.394 4.445 1.00 0.00 C ATOM 881 CG1 ILE A 64 66.119 0.913 4.821 1.00 0.00 C ATOM 882 CG2 ILE A 64 66.846 2.675 3.208 1.00 0.00 C ATOM 883 CD1 ILE A 64 67.592 0.559 5.028 1.00 0.00 C ATOM 0 H ILE A 64 64.662 3.738 6.692 1.00 0.00 H new ATOM 0 HA ILE A 64 67.459 3.024 5.928 1.00 0.00 H new ATOM 0 HB ILE A 64 64.942 2.618 4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 64 65.555 0.708 5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 64 65.693 0.290 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.515 2.043 2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 64 66.744 3.723 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 64 67.890 2.460 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 64 67.679 -0.494 5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 64 68.144 0.747 4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 64 68.004 1.172 5.830 1.00 0.00 H new ATOM 895 N SER A 65 67.614 5.356 5.104 1.00 0.00 N ATOM 896 CA SER A 65 67.663 6.787 4.693 1.00 0.00 C ATOM 897 C SER A 65 68.731 6.993 3.622 1.00 0.00 C ATOM 898 O SER A 65 69.903 6.756 3.842 1.00 0.00 O ATOM 899 CB SER A 65 68.006 7.559 5.963 1.00 0.00 C ATOM 900 OG SER A 65 69.361 7.312 6.314 1.00 0.00 O ATOM 0 H SER A 65 68.517 4.926 5.305 1.00 0.00 H new ATOM 0 HA SER A 65 66.720 7.125 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 65 67.848 8.626 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.347 7.255 6.776 1.00 0.00 H new ATOM 0 HG SER A 65 69.775 6.738 5.636 1.00 0.00 H new ATOM 906 N THR A 66 68.331 7.428 2.460 1.00 0.00 N ATOM 907 CA THR A 66 69.318 7.645 1.367 1.00 0.00 C ATOM 908 C THR A 66 70.305 6.474 1.310 1.00 0.00 C ATOM 909 O THR A 66 71.503 6.652 1.403 1.00 0.00 O ATOM 910 CB THR A 66 70.036 8.945 1.731 1.00 0.00 C ATOM 911 OG1 THR A 66 69.143 9.795 2.442 1.00 0.00 O ATOM 912 CG2 THR A 66 70.495 9.640 0.451 1.00 0.00 C ATOM 0 H THR A 66 67.363 7.643 2.220 1.00 0.00 H new ATOM 0 HA THR A 66 68.846 7.708 0.387 1.00 0.00 H new ATOM 0 HB THR A 66 70.901 8.725 2.357 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.602 10.628 2.678 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.008 10.568 0.705 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.176 8.986 -0.094 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.629 9.863 -0.173 1.00 0.00 H new ATOM 920 N CYS A 67 69.809 5.275 1.152 1.00 0.00 N ATOM 921 CA CYS A 67 70.717 4.093 1.083 1.00 0.00 C ATOM 922 C CYS A 67 70.667 3.481 -0.316 1.00 0.00 C ATOM 923 O CYS A 67 69.770 2.726 -0.634 1.00 0.00 O ATOM 924 CB CYS A 67 70.167 3.090 2.103 1.00 0.00 C ATOM 925 SG CYS A 67 71.187 3.098 3.595 1.00 0.00 S ATOM 0 H CYS A 67 68.815 5.063 1.068 1.00 0.00 H new ATOM 0 HA CYS A 67 71.751 4.365 1.294 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.138 3.344 2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 67 70.151 2.090 1.669 1.00 0.00 H new ATOM 930 N ILE A 68 71.620 3.783 -1.155 1.00 0.00 N ATOM 931 CA ILE A 68 71.598 3.187 -2.519 1.00 0.00 C ATOM 932 C ILE A 68 71.890 1.691 -2.416 1.00 0.00 C ATOM 933 O ILE A 68 73.018 1.256 -2.521 1.00 0.00 O ATOM 934 CB ILE A 68 72.697 3.896 -3.303 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.210 5.288 -3.707 1.00 0.00 C ATOM 936 CG2 ILE A 68 73.022 3.085 -4.559 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.041 6.152 -2.455 1.00 0.00 C ATOM 0 H ILE A 68 72.402 4.408 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 68 70.631 3.306 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 68 73.591 3.988 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 68 72.924 5.751 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.263 5.213 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.807 3.588 -5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.362 2.090 -4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.129 2.999 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 68 71.694 7.145 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.311 5.690 -1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 68 72.998 6.237 -1.940 1.00 0.00 H new ATOM 949 N ILE A 69 70.876 0.909 -2.196 1.00 0.00 N ATOM 950 CA ILE A 69 71.071 -0.558 -2.065 1.00 0.00 C ATOM 951 C ILE A 69 70.959 -1.230 -3.435 1.00 0.00 C ATOM 952 O ILE A 69 70.405 -0.679 -4.365 1.00 0.00 O ATOM 953 CB ILE A 69 69.943 -1.001 -1.134 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.000 -0.167 0.154 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.098 -2.483 -0.796 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.579 0.055 0.676 1.00 0.00 C ATOM 0 H ILE A 69 69.911 1.226 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 69 72.053 -0.827 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 69 68.983 -0.851 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.600 -0.679 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.482 0.791 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.290 -2.791 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 69 70.059 -3.071 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.056 -2.645 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.616 0.647 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 69 67.994 0.585 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.114 -0.908 0.886 1.00 0.00 H new ATOM 968 N THR A 70 71.487 -2.416 -3.571 1.00 0.00 N ATOM 969 CA THR A 70 71.418 -3.116 -4.885 1.00 0.00 C ATOM 970 C THR A 70 71.583 -4.621 -4.692 1.00 0.00 C ATOM 971 O THR A 70 72.684 -5.124 -4.606 1.00 0.00 O ATOM 972 CB THR A 70 72.593 -2.566 -5.687 1.00 0.00 C ATOM 973 OG1 THR A 70 72.302 -1.241 -6.104 1.00 0.00 O ATOM 974 CG2 THR A 70 72.834 -3.454 -6.910 1.00 0.00 C ATOM 0 H THR A 70 71.963 -2.930 -2.830 1.00 0.00 H new ATOM 0 HA THR A 70 70.462 -2.955 -5.383 1.00 0.00 H new ATOM 0 HB THR A 70 73.489 -2.558 -5.066 1.00 0.00 H new ATOM 0 HG1 THR A 70 71.400 -0.996 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 70 73.674 -3.062 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 70 73.060 -4.469 -6.584 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.941 -3.464 -7.534 1.00 0.00 H new ATOM 982 N GLY A 71 70.507 -5.343 -4.622 1.00 0.00 N ATOM 983 CA GLY A 71 70.624 -6.810 -4.429 1.00 0.00 C ATOM 984 C GLY A 71 70.591 -7.110 -2.935 1.00 0.00 C ATOM 985 O GLY A 71 71.224 -8.031 -2.458 1.00 0.00 O ATOM 0 H GLY A 71 69.555 -4.984 -4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.807 -7.324 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.552 -7.176 -4.868 1.00 0.00 H new ATOM 989 N GLY A 72 69.856 -6.331 -2.192 1.00 0.00 N ATOM 990 CA GLY A 72 69.779 -6.561 -0.726 1.00 0.00 C ATOM 991 C GLY A 72 71.073 -6.070 -0.065 1.00 0.00 C ATOM 992 O GLY A 72 71.381 -6.418 1.058 1.00 0.00 O ATOM 0 H GLY A 72 69.306 -5.545 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.921 -6.033 -0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.632 -7.621 -0.520 1.00 0.00 H new ATOM 996 N VAL A 73 71.832 -5.263 -0.760 1.00 0.00 N ATOM 997 CA VAL A 73 73.112 -4.742 -0.187 1.00 0.00 C ATOM 998 C VAL A 73 73.140 -3.212 -0.261 1.00 0.00 C ATOM 999 O VAL A 73 72.869 -2.642 -1.296 1.00 0.00 O ATOM 1000 CB VAL A 73 74.198 -5.307 -1.097 1.00 0.00 C ATOM 1001 CG1 VAL A 73 74.048 -6.825 -1.204 1.00 0.00 C ATOM 1002 CG2 VAL A 73 74.046 -4.677 -2.482 1.00 0.00 C ATOM 0 H VAL A 73 71.620 -4.940 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 73 73.239 -5.027 0.857 1.00 0.00 H new ATOM 0 HB VAL A 73 75.182 -5.079 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.826 -7.223 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.141 -7.271 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 73 73.069 -7.066 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.815 -5.070 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 73 73.062 -4.916 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.152 -3.595 -2.403 1.00 0.00 H new ATOM 1012 N PRO A 74 73.479 -2.597 0.838 1.00 0.00 N ATOM 1013 CA PRO A 74 73.556 -1.120 0.888 1.00 0.00 C ATOM 1014 C PRO A 74 74.872 -0.631 0.272 1.00 0.00 C ATOM 1015 O PRO A 74 75.876 -1.314 0.302 1.00 0.00 O ATOM 1016 CB PRO A 74 73.513 -0.812 2.379 1.00 0.00 C ATOM 1017 CG PRO A 74 74.033 -2.048 3.057 1.00 0.00 C ATOM 1018 CD PRO A 74 73.812 -3.214 2.123 1.00 0.00 C ATOM 0 HA PRO A 74 72.757 -0.631 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.128 0.056 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.498 -0.583 2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.093 -1.940 3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.515 -2.212 4.002 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.704 -3.835 2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.006 -3.857 2.475 1.00 0.00 H new ATOM 1026 N ALA A 75 74.876 0.548 -0.285 1.00 0.00 N ATOM 1027 CA ALA A 75 76.130 1.075 -0.899 1.00 0.00 C ATOM 1028 C ALA A 75 77.023 1.699 0.180 1.00 0.00 C ATOM 1029 O ALA A 75 76.616 1.826 1.319 1.00 0.00 O ATOM 1030 CB ALA A 75 75.658 2.139 -1.886 1.00 0.00 C ATOM 0 H ALA A 75 74.069 1.169 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 75 76.718 0.296 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.521 2.581 -2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 75 75.004 1.682 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 75 75.112 2.915 -1.350 1.00 0.00 H new ATOM 1036 N PRO A 76 78.214 2.080 -0.215 1.00 0.00 N ATOM 1037 CA PRO A 76 79.160 2.706 0.733 1.00 0.00 C ATOM 1038 C PRO A 76 78.841 4.195 0.874 1.00 0.00 C ATOM 1039 O PRO A 76 79.594 4.952 1.453 1.00 0.00 O ATOM 1040 CB PRO A 76 80.520 2.498 0.072 1.00 0.00 C ATOM 1041 CG PRO A 76 80.240 2.349 -1.395 1.00 0.00 C ATOM 1042 CD PRO A 76 78.785 1.969 -1.562 1.00 0.00 C ATOM 0 HA PRO A 76 79.117 2.283 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 76 81.180 3.344 0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 76 81.016 1.612 0.468 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.452 3.281 -1.919 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.885 1.585 -1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.280 2.634 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.682 0.957 -1.953 1.00 0.00 H new ATOM 1050 N SER A 77 77.726 4.617 0.338 1.00 0.00 N ATOM 1051 CA SER A 77 77.345 6.055 0.427 1.00 0.00 C ATOM 1052 C SER A 77 77.335 6.513 1.886 1.00 0.00 C ATOM 1053 O SER A 77 76.789 5.856 2.750 1.00 0.00 O ATOM 1054 CB SER A 77 75.938 6.129 -0.166 1.00 0.00 C ATOM 1055 OG SER A 77 75.636 7.479 -0.492 1.00 0.00 O ATOM 0 H SER A 77 77.061 4.024 -0.159 1.00 0.00 H new ATOM 0 HA SER A 77 78.047 6.700 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.873 5.504 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 77 75.210 5.743 0.547 1.00 0.00 H new ATOM 0 HG SER A 77 74.735 7.530 -0.874 1.00 0.00 H new ATOM 1061 N ALA A 78 77.935 7.638 2.164 1.00 0.00 N ATOM 1062 CA ALA A 78 77.962 8.140 3.566 1.00 0.00 C ATOM 1063 C ALA A 78 76.556 8.540 4.016 1.00 0.00 C ATOM 1064 O ALA A 78 76.318 8.786 5.183 1.00 0.00 O ATOM 1065 CB ALA A 78 78.874 9.363 3.539 1.00 0.00 C ATOM 0 H ALA A 78 78.407 8.231 1.481 1.00 0.00 H new ATOM 0 HA ALA A 78 78.318 7.380 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 78 78.942 9.788 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.868 9.069 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 78 78.464 10.107 2.856 1.00 0.00 H new ATOM 1071 N ALA A 79 75.620 8.604 3.110 1.00 0.00 N ATOM 1072 CA ALA A 79 74.236 8.984 3.509 1.00 0.00 C ATOM 1073 C ALA A 79 73.408 7.725 3.762 1.00 0.00 C ATOM 1074 O ALA A 79 72.346 7.778 4.347 1.00 0.00 O ATOM 1075 CB ALA A 79 73.671 9.777 2.330 1.00 0.00 C ATOM 0 H ALA A 79 75.752 8.411 2.117 1.00 0.00 H new ATOM 0 HA ALA A 79 74.217 9.573 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.651 10.089 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.289 10.657 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.669 9.151 1.438 1.00 0.00 H new ATOM 1081 N CYS A 80 73.892 6.590 3.335 1.00 0.00 N ATOM 1082 CA CYS A 80 73.134 5.331 3.565 1.00 0.00 C ATOM 1083 C CYS A 80 73.308 4.890 5.021 1.00 0.00 C ATOM 1084 O CYS A 80 74.413 4.713 5.492 1.00 0.00 O ATOM 1085 CB CYS A 80 73.762 4.310 2.614 1.00 0.00 C ATOM 1086 SG CYS A 80 73.037 2.680 2.917 1.00 0.00 S ATOM 0 H CYS A 80 74.777 6.482 2.839 1.00 0.00 H new ATOM 0 HA CYS A 80 72.065 5.444 3.384 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.593 4.609 1.579 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.841 4.274 2.763 1.00 0.00 H new ATOM 1091 N LYS A 81 72.233 4.718 5.742 1.00 0.00 N ATOM 1092 CA LYS A 81 72.362 4.298 7.163 1.00 0.00 C ATOM 1093 C LYS A 81 72.100 2.788 7.304 1.00 0.00 C ATOM 1094 O LYS A 81 71.707 2.119 6.369 1.00 0.00 O ATOM 1095 CB LYS A 81 71.328 5.155 7.922 1.00 0.00 C ATOM 1096 CG LYS A 81 70.144 4.311 8.412 1.00 0.00 C ATOM 1097 CD LYS A 81 69.437 3.661 7.222 1.00 0.00 C ATOM 1098 CE LYS A 81 69.110 2.211 7.569 1.00 0.00 C ATOM 1099 NZ LYS A 81 68.316 2.296 8.826 1.00 0.00 N ATOM 0 H LYS A 81 71.278 4.850 5.410 1.00 0.00 H new ATOM 0 HA LYS A 81 73.363 4.453 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 81 71.809 5.637 8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.964 5.949 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 81 70.495 3.543 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.443 4.938 8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 81 68.524 4.206 6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 81 70.073 3.702 6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 81 68.541 1.731 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 81 70.017 1.623 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 67.528 1.618 8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 68.926 2.070 9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 67.939 3.259 8.934 1.00 0.00 H new ATOM 1113 N ILE A 82 72.321 2.262 8.476 1.00 0.00 N ATOM 1114 CA ILE A 82 72.103 0.803 8.729 1.00 0.00 C ATOM 1115 C ILE A 82 72.035 0.576 10.242 1.00 0.00 C ATOM 1116 O ILE A 82 73.007 0.217 10.876 1.00 0.00 O ATOM 1117 CB ILE A 82 73.313 0.105 8.087 1.00 0.00 C ATOM 1118 CG1 ILE A 82 72.972 -0.228 6.630 1.00 0.00 C ATOM 1119 CG2 ILE A 82 73.651 -1.195 8.830 1.00 0.00 C ATOM 1120 CD1 ILE A 82 73.831 0.620 5.691 1.00 0.00 C ATOM 0 H ILE A 82 72.649 2.788 9.286 1.00 0.00 H new ATOM 0 HA ILE A 82 71.175 0.414 8.310 1.00 0.00 H new ATOM 0 HB ILE A 82 74.174 0.771 8.140 1.00 0.00 H new ATOM 0 HG12 ILE A 82 73.145 -1.287 6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 82 71.915 -0.039 6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 82 74.510 -1.671 8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 82 73.887 -0.969 9.870 1.00 0.00 H new ATOM 0 HG23 ILE A 82 72.796 -1.869 8.791 1.00 0.00 H new ATOM 0 HD11 ILE A 82 73.585 0.380 4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 82 73.636 1.677 5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 82 74.885 0.409 5.872 1.00 0.00 H new ATOM 1132 N SER A 83 70.887 0.810 10.819 1.00 0.00 N ATOM 1133 CA SER A 83 70.737 0.645 12.293 1.00 0.00 C ATOM 1134 C SER A 83 69.536 -0.243 12.637 1.00 0.00 C ATOM 1135 O SER A 83 68.516 0.232 13.093 1.00 0.00 O ATOM 1136 CB SER A 83 70.500 2.063 12.810 1.00 0.00 C ATOM 1137 OG SER A 83 71.323 2.295 13.944 1.00 0.00 O ATOM 0 H SER A 83 70.043 1.110 10.330 1.00 0.00 H new ATOM 0 HA SER A 83 71.610 0.166 12.737 1.00 0.00 H new ATOM 0 HB2 SER A 83 70.725 2.789 12.029 1.00 0.00 H new ATOM 0 HB3 SER A 83 69.451 2.195 13.075 1.00 0.00 H new ATOM 0 HG SER A 83 71.174 3.205 14.276 1.00 0.00 H new ATOM 1143 N GLY A 84 69.650 -1.526 12.444 1.00 0.00 N ATOM 1144 CA GLY A 84 68.512 -2.423 12.792 1.00 0.00 C ATOM 1145 C GLY A 84 67.813 -2.913 11.523 1.00 0.00 C ATOM 1146 O GLY A 84 67.025 -3.837 11.560 1.00 0.00 O ATOM 0 H GLY A 84 70.474 -1.991 12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 84 68.875 -3.275 13.367 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.801 -1.891 13.424 1.00 0.00 H new ATOM 1150 N CYS A 85 68.085 -2.308 10.401 1.00 0.00 N ATOM 1151 CA CYS A 85 67.419 -2.763 9.149 1.00 0.00 C ATOM 1152 C CYS A 85 68.154 -3.977 8.578 1.00 0.00 C ATOM 1153 O CYS A 85 68.954 -4.598 9.246 1.00 0.00 O ATOM 1154 CB CYS A 85 67.521 -1.584 8.181 1.00 0.00 C ATOM 1155 SG CYS A 85 65.914 -1.259 7.400 1.00 0.00 S ATOM 0 H CYS A 85 68.732 -1.527 10.296 1.00 0.00 H new ATOM 0 HA CYS A 85 66.384 -3.058 9.322 1.00 0.00 H new ATOM 0 HB2 CYS A 85 67.858 -0.696 8.715 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.267 -1.798 7.416 1.00 0.00 H new ATOM 1160 N THR A 86 67.894 -4.305 7.342 1.00 0.00 N ATOM 1161 CA THR A 86 68.571 -5.470 6.700 1.00 0.00 C ATOM 1162 C THR A 86 67.891 -5.792 5.377 1.00 0.00 C ATOM 1163 O THR A 86 66.696 -5.629 5.221 1.00 0.00 O ATOM 1164 CB THR A 86 68.418 -6.649 7.671 1.00 0.00 C ATOM 1165 OG1 THR A 86 68.755 -7.866 7.009 1.00 0.00 O ATOM 1166 CG2 THR A 86 66.973 -6.735 8.175 1.00 0.00 C ATOM 0 H THR A 86 67.234 -3.810 6.742 1.00 0.00 H new ATOM 0 HA THR A 86 69.621 -5.261 6.497 1.00 0.00 H new ATOM 0 HB THR A 86 69.087 -6.493 8.518 1.00 0.00 H new ATOM 0 HG1 THR A 86 68.658 -8.616 7.633 1.00 0.00 H new ATOM 0 HG21 THR A 86 66.877 -7.575 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.712 -5.811 8.692 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.301 -6.880 7.329 1.00 0.00 H new ATOM 1174 N PHE A 87 68.640 -6.258 4.424 1.00 0.00 N ATOM 1175 CA PHE A 87 68.031 -6.605 3.107 1.00 0.00 C ATOM 1176 C PHE A 87 68.481 -8.006 2.693 1.00 0.00 C ATOM 1177 O PHE A 87 69.513 -8.489 3.114 1.00 0.00 O ATOM 1178 CB PHE A 87 68.532 -5.572 2.079 1.00 0.00 C ATOM 1179 CG PHE A 87 69.024 -4.308 2.748 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.211 -3.630 3.664 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.295 -3.811 2.438 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.671 -2.456 4.274 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.752 -2.639 3.047 1.00 0.00 C ATOM 1184 CZ PHE A 87 69.941 -1.961 3.964 1.00 0.00 C ATOM 0 H PHE A 87 69.645 -6.415 4.495 1.00 0.00 H new ATOM 0 HA PHE A 87 66.943 -6.591 3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.338 -6.008 1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.726 -5.327 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.229 -4.012 3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.922 -4.332 1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.045 -1.934 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.733 -2.256 2.809 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.296 -1.055 4.432 1.00 0.00 H new ATOM 1194 N SER A 88 67.717 -8.656 1.862 1.00 0.00 N ATOM 1195 CA SER A 88 68.094 -10.022 1.403 1.00 0.00 C ATOM 1196 C SER A 88 67.651 -10.203 -0.044 1.00 0.00 C ATOM 1197 O SER A 88 67.316 -11.289 -0.475 1.00 0.00 O ATOM 1198 CB SER A 88 67.335 -10.981 2.321 1.00 0.00 C ATOM 1199 OG SER A 88 68.087 -12.178 2.470 1.00 0.00 O ATOM 0 H SER A 88 66.842 -8.298 1.478 1.00 0.00 H new ATOM 0 HA SER A 88 69.169 -10.199 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 88 67.169 -10.518 3.294 1.00 0.00 H new ATOM 0 HB3 SER A 88 66.353 -11.204 1.903 1.00 0.00 H new ATOM 0 HG SER A 88 67.605 -12.796 3.059 1.00 0.00 H new ATOM 1205 N ALA A 89 67.627 -9.138 -0.794 1.00 0.00 N ATOM 1206 CA ALA A 89 67.186 -9.242 -2.207 1.00 0.00 C ATOM 1207 C ALA A 89 65.832 -9.957 -2.252 1.00 0.00 C ATOM 1208 O ALA A 89 65.757 -11.149 -2.472 1.00 0.00 O ATOM 1209 CB ALA A 89 68.265 -10.068 -2.906 1.00 0.00 C ATOM 0 H ALA A 89 67.894 -8.202 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 89 67.062 -8.272 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 89 68.007 -10.188 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.225 -9.558 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.334 -11.049 -2.436 1.00 0.00 H new ATOM 1215 N ASN A 90 64.764 -9.238 -2.018 1.00 0.00 N ATOM 1216 CA ASN A 90 63.413 -9.874 -2.022 1.00 0.00 C ATOM 1217 C ASN A 90 63.126 -10.528 -3.380 1.00 0.00 C ATOM 1218 O ASN A 90 61.960 -10.666 -3.713 1.00 0.00 O ATOM 1219 CB ASN A 90 62.431 -8.727 -1.743 1.00 0.00 C ATOM 1220 CG ASN A 90 62.110 -7.984 -3.043 1.00 0.00 C ATOM 1221 OD1 ASN A 90 60.978 -7.610 -3.282 1.00 0.00 O ATOM 1222 ND2 ASN A 90 63.068 -7.753 -3.896 1.00 0.00 N ATOM 1223 OXT ASN A 90 64.075 -10.884 -4.058 1.00 0.00 O ATOM 0 H ASN A 90 64.770 -8.237 -1.824 1.00 0.00 H new ATOM 0 HA ASN A 90 63.330 -10.667 -1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.514 -9.121 -1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.862 -8.037 -1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 90 62.869 -7.258 -4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 90 64.017 -8.067 -3.694 1.00 0.00 H new