USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 836 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 106 SER OG : rot 180:sc= -0.0703 USER MOD Set 1.2: A 109 MET CE :methyl -154:sc= -1.92 (180deg=-3.79!) USER MOD Set 2.1: A 96 THR OG1 : rot 180:sc= -0.0382 USER MOD Set 2.2: A 97 ASN : amide:sc= 0.0293 X(o=-0.0089,f=0.45) USER MOD Set 3.1: A 51 MET CE :methyl -161:sc= -2.75 (180deg=-4.34!) USER MOD Set 3.2: A 65 LYS NZ :NH3+ -139:sc= -0.697 (180deg=-2.32!) USER MOD Set 3.3: A 68 SER OG : rot -44:sc= 0.446 USER MOD Set 4.1: A 23 TYR OH : rot 164:sc= -3.35! USER MOD Set 4.2: A 112 HIS : no HD1:sc= -6.11! C(o=-9.5!,f=-14!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -162:sc= -1.58 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -80:sc= 0.823 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -4.22 K(o=-4.2,f=-9.4!) USER MOD Single : A 30 ASN : amide:sc= -3.55! C(o=-3.6!,f=-6.6!) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.012 (180deg=-0.204) USER MOD Single : A 34 GLN : amide:sc= -2.84 K(o=-2.8,f=-3.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -3.07! C(o=-3.1!,f=-11!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -5.26 K(o=-5.3,f=-7!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 37:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -167:sc= -5.61! (180deg=-6.74!) USER MOD Single : A 73 THR OG1 : rot 79:sc= -8.75! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= -1.78 (180deg=-2.51) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -65:sc= -3.3! USER MOD Single : A 83 SER OG : rot -55:sc= 1.18 USER MOD Single : A 84 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.3) USER MOD Single : A 87 ASN : amide:sc= -0.99 K(o=-0.99,f=-4.9!) USER MOD Single : A 92 ASN : amide:sc=-0.00702 X(o=-0.007,f=0) USER MOD Single : A 98 THR OG1 : rot -158:sc= -1 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -1.807 2.949 14.510 1.00 0.00 N ATOM 194 CA TYR A 12 -2.130 4.198 15.192 1.00 0.00 C ATOM 195 C TYR A 12 -3.572 4.616 14.920 1.00 0.00 C ATOM 196 O TYR A 12 -4.409 4.613 15.822 1.00 0.00 O ATOM 197 CB TYR A 12 -1.163 5.307 14.742 1.00 0.00 C ATOM 198 CG TYR A 12 0.213 4.793 14.364 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.371 3.891 13.320 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.348 5.193 15.059 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.610 3.399 12.981 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.597 4.706 14.722 1.00 0.00 C ATOM 203 CZ TYR A 12 2.722 3.807 13.684 1.00 0.00 C ATOM 204 OH TYR A 12 3.963 3.324 13.342 1.00 0.00 O ATOM 0 HA TYR A 12 -2.021 4.039 16.265 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.594 5.830 13.888 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.061 6.037 15.545 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.497 3.569 12.763 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.253 5.895 15.874 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.710 2.696 12.167 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.471 5.028 15.269 1.00 0.00 H new ATOM 0 HH TYR A 12 4.640 3.712 13.935 1.00 0.00 H new ATOM 214 N GLY A 13 -3.856 4.973 13.671 1.00 0.00 N ATOM 215 CA GLY A 13 -5.199 5.385 13.310 1.00 0.00 C ATOM 216 C GLY A 13 -5.304 5.834 11.865 1.00 0.00 C ATOM 217 O GLY A 13 -5.851 5.120 11.025 1.00 0.00 O ATOM 0 H GLY A 13 -3.182 4.984 12.905 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.887 4.557 13.480 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.513 6.199 13.963 1.00 0.00 H new ATOM 221 N ILE A 14 -4.781 7.022 11.575 1.00 0.00 N ATOM 222 CA ILE A 14 -4.823 7.565 10.222 1.00 0.00 C ATOM 223 C ILE A 14 -4.189 6.603 9.223 1.00 0.00 C ATOM 224 O ILE A 14 -4.745 6.347 8.154 1.00 0.00 O ATOM 225 CB ILE A 14 -4.116 8.937 10.144 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.421 9.627 8.808 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.613 8.786 10.349 1.00 0.00 C ATOM 228 CD1 ILE A 14 -3.699 9.026 7.619 1.00 0.00 C ATOM 0 H ILE A 14 -4.324 7.626 12.258 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.873 7.699 9.963 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.502 9.566 10.947 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.495 9.584 8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.153 10.681 8.887 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.138 9.765 10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.422 8.348 11.329 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.204 8.136 9.575 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.970 9.572 6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.622 9.094 7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.985 7.980 7.511 1.00 0.00 H new ATOM 240 N GLU A 15 -3.025 6.067 9.577 1.00 0.00 N ATOM 241 CA GLU A 15 -2.325 5.129 8.708 1.00 0.00 C ATOM 242 C GLU A 15 -3.092 3.818 8.611 1.00 0.00 C ATOM 243 O GLU A 15 -3.054 3.139 7.585 1.00 0.00 O ATOM 244 CB GLU A 15 -0.909 4.876 9.226 1.00 0.00 C ATOM 245 CG GLU A 15 0.135 5.799 8.619 1.00 0.00 C ATOM 246 CD GLU A 15 1.129 6.309 9.643 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.556 5.512 10.505 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.480 7.507 9.584 1.00 0.00 O ATOM 0 H GLU A 15 -2.548 6.266 10.457 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.259 5.567 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.901 4.995 10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.634 3.842 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.670 5.268 7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.364 6.647 8.149 1.00 0.00 H new ATOM 255 N GLY A 16 -3.797 3.471 9.683 1.00 0.00 N ATOM 256 CA GLY A 16 -4.573 2.248 9.688 1.00 0.00 C ATOM 257 C GLY A 16 -5.792 2.350 8.799 1.00 0.00 C ATOM 258 O GLY A 16 -6.153 1.393 8.116 1.00 0.00 O ATOM 0 H GLY A 16 -3.844 4.014 10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.948 1.420 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.885 2.020 10.707 1.00 0.00 H new ATOM 262 N ARG A 17 -6.423 3.521 8.802 1.00 0.00 N ATOM 263 CA ARG A 17 -7.607 3.753 7.983 1.00 0.00 C ATOM 264 C ARG A 17 -7.272 3.641 6.501 1.00 0.00 C ATOM 265 O ARG A 17 -8.145 3.358 5.682 1.00 0.00 O ATOM 266 CB ARG A 17 -8.200 5.130 8.283 1.00 0.00 C ATOM 267 CG ARG A 17 -9.172 5.134 9.451 1.00 0.00 C ATOM 268 CD ARG A 17 -9.390 6.538 9.992 1.00 0.00 C ATOM 269 NE ARG A 17 -8.554 6.811 11.159 1.00 0.00 N ATOM 270 CZ ARG A 17 -8.326 8.031 11.638 1.00 0.00 C ATOM 271 NH1 ARG A 17 -8.868 9.093 11.054 1.00 0.00 N ATOM 272 NH2 ARG A 17 -7.554 8.192 12.704 1.00 0.00 N ATOM 0 H ARG A 17 -6.134 4.323 9.362 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.344 2.989 8.229 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.389 5.827 8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.713 5.497 7.394 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.126 4.714 9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.790 4.492 10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.171 7.266 9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.439 6.664 10.260 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.120 6.020 11.634 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.463 8.976 10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.690 10.026 11.426 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.135 7.380 13.157 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.380 9.128 13.071 1.00 0.00 H new ATOM 286 N TYR A 18 -6.004 3.858 6.156 1.00 0.00 N ATOM 287 CA TYR A 18 -5.575 3.768 4.766 1.00 0.00 C ATOM 288 C TYR A 18 -5.859 2.378 4.213 1.00 0.00 C ATOM 289 O TYR A 18 -6.505 2.229 3.177 1.00 0.00 O ATOM 290 CB TYR A 18 -4.084 4.090 4.642 1.00 0.00 C ATOM 291 CG TYR A 18 -3.805 5.476 4.112 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.180 6.603 4.832 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.166 5.659 2.892 1.00 0.00 C ATOM 294 CE1 TYR A 18 -3.927 7.873 4.352 1.00 0.00 C ATOM 295 CE2 TYR A 18 -2.908 6.927 2.405 1.00 0.00 C ATOM 296 CZ TYR A 18 -3.291 8.030 3.138 1.00 0.00 C ATOM 297 OH TYR A 18 -3.037 9.294 2.657 1.00 0.00 O ATOM 0 H TYR A 18 -5.263 4.095 6.815 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.138 4.499 4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.616 3.984 5.620 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.617 3.358 3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.678 6.484 5.783 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.866 4.797 2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.226 8.739 4.924 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.409 7.053 1.455 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.582 9.229 1.791 1.00 0.00 H new ATOM 307 N ALA A 19 -5.383 1.359 4.921 1.00 0.00 N ATOM 308 CA ALA A 19 -5.600 -0.017 4.506 1.00 0.00 C ATOM 309 C ALA A 19 -7.063 -0.393 4.673 1.00 0.00 C ATOM 310 O ALA A 19 -7.624 -1.121 3.855 1.00 0.00 O ATOM 311 CB ALA A 19 -4.712 -0.963 5.299 1.00 0.00 C ATOM 0 H ALA A 19 -4.846 1.462 5.782 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.336 -0.106 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.890 -1.988 4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.666 -0.706 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.943 -0.875 6.361 1.00 0.00 H new ATOM 317 N THR A 20 -7.681 0.117 5.733 1.00 0.00 N ATOM 318 CA THR A 20 -9.085 -0.162 5.991 1.00 0.00 C ATOM 319 C THR A 20 -9.962 0.531 4.957 1.00 0.00 C ATOM 320 O THR A 20 -11.060 0.067 4.650 1.00 0.00 O ATOM 321 CB THR A 20 -9.482 0.271 7.402 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.347 0.333 8.247 1.00 0.00 O ATOM 323 CG2 THR A 20 -10.479 -0.667 8.048 1.00 0.00 C ATOM 0 H THR A 20 -7.234 0.722 6.422 1.00 0.00 H new ATOM 0 HA THR A 20 -9.235 -1.239 5.914 1.00 0.00 H new ATOM 0 HB THR A 20 -9.942 1.253 7.288 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.636 0.328 9.183 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.722 -0.307 9.048 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.386 -0.705 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.047 -1.666 8.117 1.00 0.00 H new ATOM 331 N ALA A 21 -9.463 1.635 4.404 1.00 0.00 N ATOM 332 CA ALA A 21 -10.199 2.372 3.387 1.00 0.00 C ATOM 333 C ALA A 21 -9.866 1.849 1.994 1.00 0.00 C ATOM 334 O ALA A 21 -10.329 2.387 0.988 1.00 0.00 O ATOM 335 CB ALA A 21 -9.910 3.862 3.488 1.00 0.00 C ATOM 0 H ALA A 21 -8.556 2.035 4.644 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.264 2.220 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.470 4.394 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.209 4.225 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.843 4.036 3.346 1.00 0.00 H new ATOM 341 N LEU A 22 -9.086 0.774 1.950 1.00 0.00 N ATOM 342 CA LEU A 22 -8.715 0.141 0.694 1.00 0.00 C ATOM 343 C LEU A 22 -9.280 -1.252 0.705 1.00 0.00 C ATOM 344 O LEU A 22 -9.944 -1.683 -0.237 1.00 0.00 O ATOM 345 CB LEU A 22 -7.191 0.110 0.521 1.00 0.00 C ATOM 346 CG LEU A 22 -6.662 -0.913 -0.490 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.804 -0.386 -1.910 1.00 0.00 C ATOM 348 CD2 LEU A 22 -5.212 -1.260 -0.186 1.00 0.00 C ATOM 0 H LEU A 22 -8.697 0.322 2.777 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.117 0.708 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.857 1.102 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.737 -0.095 1.490 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.257 -1.822 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.423 -1.127 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.855 -0.191 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.236 0.538 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.852 -1.988 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.602 -0.358 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.142 -1.683 0.816 1.00 0.00 H new ATOM 360 N TYR A 23 -9.050 -1.934 1.809 1.00 0.00 N ATOM 361 CA TYR A 23 -9.574 -3.255 1.982 1.00 0.00 C ATOM 362 C TYR A 23 -11.093 -3.175 2.119 1.00 0.00 C ATOM 363 O TYR A 23 -11.782 -4.177 1.969 1.00 0.00 O ATOM 364 CB TYR A 23 -8.950 -3.915 3.208 1.00 0.00 C ATOM 365 CG TYR A 23 -9.965 -4.385 4.212 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.625 -5.585 4.027 1.00 0.00 C ATOM 367 CD2 TYR A 23 -10.272 -3.624 5.325 1.00 0.00 C ATOM 368 CE1 TYR A 23 -11.563 -6.026 4.927 1.00 0.00 C ATOM 369 CE2 TYR A 23 -11.215 -4.047 6.232 1.00 0.00 C ATOM 370 CZ TYR A 23 -11.859 -5.253 6.033 1.00 0.00 C ATOM 371 OH TYR A 23 -12.811 -5.676 6.929 1.00 0.00 O ATOM 0 H TYR A 23 -8.502 -1.586 2.596 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.327 -3.865 1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.346 -4.764 2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.275 -3.207 3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.399 -6.186 3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.764 -2.684 5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.065 -6.969 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.451 -3.441 7.094 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.722 -5.170 7.764 1.00 0.00 H new ATOM 381 N SER A 24 -11.617 -1.968 2.390 1.00 0.00 N ATOM 382 CA SER A 24 -13.059 -1.789 2.514 1.00 0.00 C ATOM 383 C SER A 24 -13.742 -2.427 1.318 1.00 0.00 C ATOM 384 O SER A 24 -14.787 -3.066 1.443 1.00 0.00 O ATOM 385 CB SER A 24 -13.416 -0.303 2.603 1.00 0.00 C ATOM 386 OG SER A 24 -14.820 -0.112 2.564 1.00 0.00 O ATOM 0 H SER A 24 -11.068 -1.119 2.524 1.00 0.00 H new ATOM 0 HA SER A 24 -13.403 -2.270 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.014 0.116 3.526 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.950 0.236 1.779 1.00 0.00 H new ATOM 0 HG SER A 24 -15.022 0.845 2.624 1.00 0.00 H new ATOM 392 N ALA A 25 -13.103 -2.286 0.162 1.00 0.00 N ATOM 393 CA ALA A 25 -13.600 -2.888 -1.059 1.00 0.00 C ATOM 394 C ALA A 25 -13.182 -4.348 -1.084 1.00 0.00 C ATOM 395 O ALA A 25 -13.915 -5.212 -1.567 1.00 0.00 O ATOM 396 CB ALA A 25 -13.069 -2.149 -2.279 1.00 0.00 C ATOM 0 H ALA A 25 -12.238 -1.758 0.050 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.688 -2.820 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.454 -2.618 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.392 -1.109 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.980 -2.191 -2.284 1.00 0.00 H new ATOM 402 N ALA A 26 -12.000 -4.618 -0.525 1.00 0.00 N ATOM 403 CA ALA A 26 -11.489 -5.977 -0.447 1.00 0.00 C ATOM 404 C ALA A 26 -12.269 -6.786 0.589 1.00 0.00 C ATOM 405 O ALA A 26 -12.148 -8.008 0.652 1.00 0.00 O ATOM 406 CB ALA A 26 -10.008 -5.966 -0.104 1.00 0.00 C ATOM 0 H ALA A 26 -11.384 -3.911 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.618 -6.450 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.640 -6.990 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.460 -5.424 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.861 -5.476 0.858 1.00 0.00 H new ATOM 412 N SER A 27 -13.073 -6.095 1.399 1.00 0.00 N ATOM 413 CA SER A 27 -13.875 -6.749 2.424 1.00 0.00 C ATOM 414 C SER A 27 -15.110 -7.376 1.795 1.00 0.00 C ATOM 415 O SER A 27 -15.404 -8.552 2.014 1.00 0.00 O ATOM 416 CB SER A 27 -14.285 -5.745 3.503 1.00 0.00 C ATOM 417 OG SER A 27 -15.437 -5.016 3.114 1.00 0.00 O ATOM 0 H SER A 27 -13.183 -5.082 1.362 1.00 0.00 H new ATOM 0 HA SER A 27 -13.277 -7.532 2.890 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.483 -6.271 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.462 -5.056 3.693 1.00 0.00 H new ATOM 0 HG SER A 27 -15.178 -4.299 2.498 1.00 0.00 H new ATOM 423 N LYS A 28 -15.823 -6.588 0.995 1.00 0.00 N ATOM 424 CA LYS A 28 -17.015 -7.075 0.317 1.00 0.00 C ATOM 425 C LYS A 28 -16.654 -8.237 -0.602 1.00 0.00 C ATOM 426 O LYS A 28 -17.475 -9.112 -0.871 1.00 0.00 O ATOM 427 CB LYS A 28 -17.669 -5.951 -0.491 1.00 0.00 C ATOM 428 CG LYS A 28 -18.593 -5.069 0.332 1.00 0.00 C ATOM 429 CD LYS A 28 -19.726 -4.509 -0.512 1.00 0.00 C ATOM 430 CE LYS A 28 -21.009 -4.379 0.292 1.00 0.00 C ATOM 431 NZ LYS A 28 -21.978 -3.449 -0.353 1.00 0.00 N ATOM 0 H LYS A 28 -15.595 -5.613 0.802 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.725 -7.422 1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.889 -5.332 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.235 -6.388 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.005 -5.645 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.022 -4.249 0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.441 -3.533 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.897 -5.159 -1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.468 -5.361 0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.774 -4.021 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -22.839 -3.388 0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.550 -2.505 -0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -22.222 -3.804 -1.300 1.00 0.00 H new ATOM 445 N GLN A 29 -15.407 -8.239 -1.068 1.00 0.00 N ATOM 446 CA GLN A 29 -14.917 -9.291 -1.943 1.00 0.00 C ATOM 447 C GLN A 29 -14.271 -10.405 -1.129 1.00 0.00 C ATOM 448 O GLN A 29 -14.642 -11.568 -1.268 1.00 0.00 O ATOM 449 CB GLN A 29 -13.910 -8.725 -2.947 1.00 0.00 C ATOM 450 CG GLN A 29 -14.554 -7.945 -4.081 1.00 0.00 C ATOM 451 CD GLN A 29 -15.077 -6.592 -3.635 1.00 0.00 C ATOM 452 OE1 GLN A 29 -16.053 -6.507 -2.890 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.429 -5.527 -4.091 1.00 0.00 N ATOM 0 H GLN A 29 -14.718 -7.519 -0.851 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.765 -9.704 -2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.211 -8.075 -2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.328 -9.545 -3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.826 -7.804 -4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.375 -8.528 -4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.624 -5.645 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.736 -4.591 -3.826 1.00 0.00 H new ATOM 462 N ASN A 30 -13.298 -10.024 -0.285 1.00 0.00 N ATOM 463 CA ASN A 30 -12.556 -10.953 0.580 1.00 0.00 C ATOM 464 C ASN A 30 -11.130 -11.102 0.070 1.00 0.00 C ATOM 465 O ASN A 30 -10.518 -12.163 0.191 1.00 0.00 O ATOM 466 CB ASN A 30 -13.234 -12.331 0.700 1.00 0.00 C ATOM 467 CG ASN A 30 -12.891 -13.275 -0.443 1.00 0.00 C ATOM 468 OD1 ASN A 30 -12.519 -12.839 -1.532 1.00 0.00 O ATOM 469 ND2 ASN A 30 -13.015 -14.574 -0.195 1.00 0.00 N ATOM 0 H ASN A 30 -13.002 -9.053 -0.184 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.547 -10.525 1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.939 -12.792 1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.315 -12.194 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.798 -15.255 -0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.327 -14.890 0.723 1.00 0.00 H new ATOM 476 N LYS A 31 -10.610 -10.024 -0.504 1.00 0.00 N ATOM 477 CA LYS A 31 -9.262 -10.023 -1.041 1.00 0.00 C ATOM 478 C LYS A 31 -8.232 -9.657 0.024 1.00 0.00 C ATOM 479 O LYS A 31 -7.090 -9.344 -0.303 1.00 0.00 O ATOM 480 CB LYS A 31 -9.162 -9.061 -2.225 1.00 0.00 C ATOM 481 CG LYS A 31 -9.400 -9.731 -3.570 1.00 0.00 C ATOM 482 CD LYS A 31 -10.824 -9.516 -4.057 1.00 0.00 C ATOM 483 CE LYS A 31 -11.468 -10.823 -4.494 1.00 0.00 C ATOM 484 NZ LYS A 31 -10.686 -11.496 -5.567 1.00 0.00 N ATOM 0 H LYS A 31 -11.106 -9.139 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.042 -11.034 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.888 -8.258 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.174 -8.600 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.700 -9.333 -4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.201 -10.799 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.417 -9.065 -3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.822 -8.814 -4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.555 -11.489 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.480 -10.628 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.300 -12.161 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.320 -10.783 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.890 -12.015 -5.143 1.00 0.00 H new ATOM 498 N LEU A 32 -8.627 -9.714 1.300 1.00 0.00 N ATOM 499 CA LEU A 32 -7.713 -9.409 2.400 1.00 0.00 C ATOM 500 C LEU A 32 -6.351 -10.042 2.137 1.00 0.00 C ATOM 501 O LEU A 32 -5.312 -9.479 2.477 1.00 0.00 O ATOM 502 CB LEU A 32 -8.287 -9.941 3.711 1.00 0.00 C ATOM 503 CG LEU A 32 -9.330 -9.037 4.355 1.00 0.00 C ATOM 504 CD1 LEU A 32 -9.816 -9.626 5.668 1.00 0.00 C ATOM 505 CD2 LEU A 32 -8.749 -7.651 4.564 1.00 0.00 C ATOM 0 H LEU A 32 -9.570 -9.968 1.594 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.593 -8.328 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.734 -10.918 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.470 -10.092 4.416 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.189 -8.959 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.560 -8.964 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.263 -10.603 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.974 -9.734 6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.499 -7.008 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.877 -7.716 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.453 -7.232 3.602 1.00 0.00 H new ATOM 517 N GLU A 33 -6.375 -11.212 1.504 1.00 0.00 N ATOM 518 CA GLU A 33 -5.153 -11.929 1.164 1.00 0.00 C ATOM 519 C GLU A 33 -4.487 -11.289 -0.050 1.00 0.00 C ATOM 520 O GLU A 33 -3.262 -11.200 -0.130 1.00 0.00 O ATOM 521 CB GLU A 33 -5.461 -13.399 0.876 1.00 0.00 C ATOM 522 CG GLU A 33 -6.009 -14.153 2.077 1.00 0.00 C ATOM 523 CD GLU A 33 -5.487 -15.574 2.161 1.00 0.00 C ATOM 524 OE1 GLU A 33 -4.257 -15.763 2.053 1.00 0.00 O ATOM 525 OE2 GLU A 33 -6.309 -16.499 2.332 1.00 0.00 O ATOM 0 H GLU A 33 -7.232 -11.684 1.216 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.471 -11.873 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.182 -13.457 0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.551 -13.892 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.744 -13.618 2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.098 -14.172 2.024 1.00 0.00 H new ATOM 532 N GLN A 34 -5.313 -10.837 -0.988 1.00 0.00 N ATOM 533 CA GLN A 34 -4.829 -10.192 -2.202 1.00 0.00 C ATOM 534 C GLN A 34 -4.385 -8.755 -1.930 1.00 0.00 C ATOM 535 O GLN A 34 -3.746 -8.128 -2.772 1.00 0.00 O ATOM 536 CB GLN A 34 -5.919 -10.207 -3.278 1.00 0.00 C ATOM 537 CG GLN A 34 -5.625 -11.157 -4.427 1.00 0.00 C ATOM 538 CD GLN A 34 -5.129 -10.438 -5.667 1.00 0.00 C ATOM 539 OE1 GLN A 34 -5.583 -10.708 -6.778 1.00 0.00 O ATOM 540 NE2 GLN A 34 -4.191 -9.517 -5.480 1.00 0.00 N ATOM 0 H GLN A 34 -6.329 -10.907 -0.929 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.964 -10.752 -2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.867 -10.487 -2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.042 -9.199 -3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.877 -11.884 -4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.529 -11.715 -4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.844 -9.326 -4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.818 -9.000 -6.276 1.00 0.00 H new ATOM 549 N VAL A 35 -4.728 -8.234 -0.754 1.00 0.00 N ATOM 550 CA VAL A 35 -4.355 -6.870 -0.393 1.00 0.00 C ATOM 551 C VAL A 35 -3.345 -6.860 0.751 1.00 0.00 C ATOM 552 O VAL A 35 -2.576 -5.911 0.903 1.00 0.00 O ATOM 553 CB VAL A 35 -5.583 -6.025 0.035 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.448 -4.600 -0.475 1.00 0.00 C ATOM 555 CG2 VAL A 35 -6.897 -6.650 -0.440 1.00 0.00 C ATOM 0 H VAL A 35 -5.260 -8.732 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.912 -6.430 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.609 -6.007 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.317 -4.019 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.546 -4.150 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.384 -4.608 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.733 -6.028 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.894 -6.721 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.002 -7.647 -0.011 1.00 0.00 H new ATOM 565 N GLU A 36 -3.350 -7.920 1.556 1.00 0.00 N ATOM 566 CA GLU A 36 -2.429 -8.022 2.684 1.00 0.00 C ATOM 567 C GLU A 36 -1.044 -8.385 2.182 1.00 0.00 C ATOM 568 O GLU A 36 -0.040 -7.822 2.618 1.00 0.00 O ATOM 569 CB GLU A 36 -2.910 -9.062 3.701 1.00 0.00 C ATOM 570 CG GLU A 36 -2.872 -10.489 3.185 1.00 0.00 C ATOM 571 CD GLU A 36 -1.511 -11.135 3.356 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.742 -10.677 4.228 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.213 -12.097 2.617 1.00 0.00 O ATOM 0 H GLU A 36 -3.978 -8.716 1.449 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.392 -7.055 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.292 -8.993 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.930 -8.820 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.620 -11.082 3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.144 -10.497 2.129 1.00 0.00 H new ATOM 580 N LYS A 37 -1.006 -9.308 1.230 1.00 0.00 N ATOM 581 CA LYS A 37 0.245 -9.723 0.627 1.00 0.00 C ATOM 582 C LYS A 37 0.708 -8.634 -0.325 1.00 0.00 C ATOM 583 O LYS A 37 1.903 -8.452 -0.556 1.00 0.00 O ATOM 584 CB LYS A 37 0.073 -11.047 -0.122 1.00 0.00 C ATOM 585 CG LYS A 37 1.375 -11.808 -0.319 1.00 0.00 C ATOM 586 CD LYS A 37 1.815 -12.499 0.961 1.00 0.00 C ATOM 587 CE LYS A 37 2.430 -13.860 0.676 1.00 0.00 C ATOM 588 NZ LYS A 37 2.816 -14.568 1.927 1.00 0.00 N ATOM 0 H LYS A 37 -1.831 -9.782 0.861 1.00 0.00 H new ATOM 0 HA LYS A 37 0.991 -9.877 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.627 -11.677 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.373 -10.848 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.249 -12.549 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.154 -11.120 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.539 -11.873 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.959 -12.617 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.719 -14.470 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.309 -13.736 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.231 -15.491 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.513 -13.998 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.973 -14.710 2.520 1.00 0.00 H new ATOM 602 N GLU A 38 -0.266 -7.899 -0.861 1.00 0.00 N ATOM 603 CA GLU A 38 0.009 -6.810 -1.773 1.00 0.00 C ATOM 604 C GLU A 38 0.255 -5.509 -1.005 1.00 0.00 C ATOM 605 O GLU A 38 0.397 -4.442 -1.596 1.00 0.00 O ATOM 606 CB GLU A 38 -1.164 -6.649 -2.738 1.00 0.00 C ATOM 607 CG GLU A 38 -1.248 -7.738 -3.804 1.00 0.00 C ATOM 608 CD GLU A 38 -1.079 -9.137 -3.238 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.055 -9.485 -2.845 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.076 -9.885 -3.195 1.00 0.00 O ATOM 0 H GLU A 38 -1.257 -8.047 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 38 0.912 -7.039 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.092 -6.642 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.086 -5.679 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.211 -7.670 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.480 -7.562 -4.557 1.00 0.00 H new ATOM 617 N LEU A 39 0.325 -5.609 0.319 1.00 0.00 N ATOM 618 CA LEU A 39 0.584 -4.450 1.159 1.00 0.00 C ATOM 619 C LEU A 39 1.983 -4.557 1.745 1.00 0.00 C ATOM 620 O LEU A 39 2.678 -3.558 1.919 1.00 0.00 O ATOM 621 CB LEU A 39 -0.457 -4.346 2.276 1.00 0.00 C ATOM 622 CG LEU A 39 -1.481 -3.224 2.099 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.436 -3.175 3.285 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.777 -1.888 1.920 1.00 0.00 C ATOM 0 H LEU A 39 0.205 -6.483 0.831 1.00 0.00 H new ATOM 0 HA LEU A 39 0.514 -3.548 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.988 -5.295 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.061 -4.199 3.223 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.065 -3.429 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.156 -2.370 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.965 -4.125 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.871 -2.995 4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.519 -1.099 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.168 -1.677 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.139 -1.928 1.037 1.00 0.00 H new ATOM 636 N LEU A 40 2.393 -5.790 2.028 1.00 0.00 N ATOM 637 CA LEU A 40 3.715 -6.050 2.572 1.00 0.00 C ATOM 638 C LEU A 40 4.776 -5.819 1.504 1.00 0.00 C ATOM 639 O LEU A 40 5.912 -5.459 1.813 1.00 0.00 O ATOM 640 CB LEU A 40 3.803 -7.482 3.101 1.00 0.00 C ATOM 641 CG LEU A 40 5.173 -7.887 3.650 1.00 0.00 C ATOM 642 CD1 LEU A 40 5.020 -8.881 4.790 1.00 0.00 C ATOM 643 CD2 LEU A 40 6.038 -8.471 2.542 1.00 0.00 C ATOM 0 H LEU A 40 1.824 -6.625 1.888 1.00 0.00 H new ATOM 0 HA LEU A 40 3.892 -5.363 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.061 -7.608 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.534 -8.167 2.297 1.00 0.00 H new ATOM 0 HG LEU A 40 5.666 -6.996 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.005 -9.157 5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.438 -8.428 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.507 -9.772 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.009 -8.754 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.549 -9.351 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.176 -7.727 1.758 1.00 0.00 H new ATOM 655 N ARG A 41 4.399 -6.020 0.240 1.00 0.00 N ATOM 656 CA ARG A 41 5.327 -5.820 -0.864 1.00 0.00 C ATOM 657 C ARG A 41 5.743 -4.358 -0.944 1.00 0.00 C ATOM 658 O ARG A 41 6.910 -4.045 -1.176 1.00 0.00 O ATOM 659 CB ARG A 41 4.691 -6.259 -2.184 1.00 0.00 C ATOM 660 CG ARG A 41 5.698 -6.766 -3.204 1.00 0.00 C ATOM 661 CD ARG A 41 6.539 -7.901 -2.643 1.00 0.00 C ATOM 662 NE ARG A 41 7.949 -7.535 -2.532 1.00 0.00 N ATOM 663 CZ ARG A 41 8.832 -8.204 -1.795 1.00 0.00 C ATOM 664 NH1 ARG A 41 8.456 -9.272 -1.103 1.00 0.00 N ATOM 665 NH2 ARG A 41 10.096 -7.804 -1.751 1.00 0.00 N ATOM 0 H ARG A 41 3.464 -6.319 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 41 6.213 -6.429 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.962 -7.044 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.144 -5.419 -2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.173 -7.108 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.349 -5.948 -3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.159 -8.182 -1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.441 -8.776 -3.285 1.00 0.00 H new ATOM 0 HE ARG A 41 8.276 -6.719 -3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.485 -9.584 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.138 -9.781 -0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.390 -6.984 -2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.774 -8.316 -1.186 1.00 0.00 H new ATOM 679 N VAL A 42 4.780 -3.466 -0.737 1.00 0.00 N ATOM 680 CA VAL A 42 5.049 -2.037 -0.772 1.00 0.00 C ATOM 681 C VAL A 42 5.930 -1.623 0.404 1.00 0.00 C ATOM 682 O VAL A 42 6.562 -0.567 0.379 1.00 0.00 O ATOM 683 CB VAL A 42 3.744 -1.218 -0.742 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.038 0.265 -0.906 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.788 -1.702 -1.824 1.00 0.00 C ATOM 0 H VAL A 42 3.808 -3.709 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 42 5.571 -1.831 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 42 3.267 -1.364 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.104 0.826 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.683 0.600 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.538 0.433 -1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.871 -1.113 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.256 -1.587 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.551 -2.753 -1.657 1.00 0.00 H new ATOM 695 N GLY A 43 5.975 -2.470 1.430 1.00 0.00 N ATOM 696 CA GLY A 43 6.787 -2.185 2.596 1.00 0.00 C ATOM 697 C GLY A 43 8.260 -2.413 2.329 1.00 0.00 C ATOM 698 O GLY A 43 9.096 -1.575 2.667 1.00 0.00 O ATOM 0 H GLY A 43 5.461 -3.350 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.630 -1.151 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.466 -2.816 3.425 1.00 0.00 H new ATOM 702 N GLN A 44 8.578 -3.546 1.710 1.00 0.00 N ATOM 703 CA GLN A 44 9.961 -3.873 1.387 1.00 0.00 C ATOM 704 C GLN A 44 10.547 -2.818 0.456 1.00 0.00 C ATOM 705 O GLN A 44 11.740 -2.521 0.506 1.00 0.00 O ATOM 706 CB GLN A 44 10.045 -5.255 0.735 1.00 0.00 C ATOM 707 CG GLN A 44 10.320 -6.377 1.723 1.00 0.00 C ATOM 708 CD GLN A 44 9.049 -7.033 2.227 1.00 0.00 C ATOM 709 OE1 GLN A 44 8.624 -8.066 1.714 1.00 0.00 O ATOM 710 NE2 GLN A 44 8.436 -6.431 3.240 1.00 0.00 N ATOM 0 H GLN A 44 7.898 -4.251 1.423 1.00 0.00 H new ATOM 0 HA GLN A 44 10.539 -3.888 2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.109 -5.460 0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.832 -5.245 -0.019 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.949 -7.129 1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.881 -5.982 2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.825 -5.575 3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.577 -6.825 3.623 1.00 0.00 H new ATOM 719 N ILE A 45 9.689 -2.248 -0.384 1.00 0.00 N ATOM 720 CA ILE A 45 10.105 -1.214 -1.322 1.00 0.00 C ATOM 721 C ILE A 45 10.472 0.064 -0.579 1.00 0.00 C ATOM 722 O ILE A 45 11.464 0.716 -0.898 1.00 0.00 O ATOM 723 CB ILE A 45 8.988 -0.913 -2.342 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.557 -2.198 -3.049 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.450 0.125 -3.357 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.149 -2.143 -3.599 1.00 0.00 C ATOM 0 H ILE A 45 8.698 -2.486 -0.433 1.00 0.00 H new ATOM 0 HA ILE A 45 10.980 -1.583 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 45 8.131 -0.506 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.249 -2.403 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.633 -3.031 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.647 0.322 -4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.712 1.048 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.322 -0.252 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.912 -3.088 -4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.447 -1.969 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.073 -1.332 -4.323 1.00 0.00 H new ATOM 738 N LEU A 46 9.666 0.414 0.416 1.00 0.00 N ATOM 739 CA LEU A 46 9.909 1.612 1.208 1.00 0.00 C ATOM 740 C LEU A 46 11.143 1.439 2.086 1.00 0.00 C ATOM 741 O LEU A 46 11.986 2.331 2.176 1.00 0.00 O ATOM 742 CB LEU A 46 8.689 1.928 2.074 1.00 0.00 C ATOM 743 CG LEU A 46 8.172 3.361 1.959 1.00 0.00 C ATOM 744 CD1 LEU A 46 9.267 4.354 2.317 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.648 3.624 0.556 1.00 0.00 C ATOM 0 H LEU A 46 8.839 -0.115 0.693 1.00 0.00 H new ATOM 0 HA LEU A 46 10.086 2.443 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.884 1.244 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.940 1.730 3.116 1.00 0.00 H new ATOM 0 HG LEU A 46 7.350 3.490 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.880 5.369 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.597 4.178 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.110 4.227 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.283 4.649 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.451 3.478 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.833 2.934 0.337 1.00 0.00 H new ATOM 757 N LYS A 47 11.241 0.282 2.731 1.00 0.00 N ATOM 758 CA LYS A 47 12.371 -0.016 3.601 1.00 0.00 C ATOM 759 C LYS A 47 13.633 -0.273 2.783 1.00 0.00 C ATOM 760 O LYS A 47 14.748 -0.144 3.288 1.00 0.00 O ATOM 761 CB LYS A 47 12.058 -1.231 4.479 1.00 0.00 C ATOM 762 CG LYS A 47 11.759 -0.874 5.925 1.00 0.00 C ATOM 763 CD LYS A 47 13.011 -0.937 6.784 1.00 0.00 C ATOM 764 CE LYS A 47 13.278 -2.349 7.279 1.00 0.00 C ATOM 765 NZ LYS A 47 14.708 -2.549 7.644 1.00 0.00 N ATOM 0 H LYS A 47 10.550 -0.466 2.667 1.00 0.00 H new ATOM 0 HA LYS A 47 12.546 0.849 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.203 -1.761 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.904 -1.918 4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.334 0.128 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.009 -1.558 6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.867 -0.585 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.903 -0.266 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.650 -2.554 8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.997 -3.064 6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.848 -3.524 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.306 -2.378 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.970 -1.885 8.400 1.00 0.00 H new ATOM 779 N GLU A 48 13.452 -0.636 1.515 1.00 0.00 N ATOM 780 CA GLU A 48 14.578 -0.909 0.631 1.00 0.00 C ATOM 781 C GLU A 48 15.525 0.290 0.567 1.00 0.00 C ATOM 782 O GLU A 48 15.186 1.325 -0.006 1.00 0.00 O ATOM 783 CB GLU A 48 14.076 -1.255 -0.773 1.00 0.00 C ATOM 784 CG GLU A 48 13.997 -2.749 -1.040 1.00 0.00 C ATOM 785 CD GLU A 48 12.936 -3.104 -2.063 1.00 0.00 C ATOM 786 OE1 GLU A 48 13.001 -2.575 -3.193 1.00 0.00 O ATOM 787 OE2 GLU A 48 12.041 -3.910 -1.735 1.00 0.00 O ATOM 0 H GLU A 48 12.537 -0.747 1.079 1.00 0.00 H new ATOM 0 HA GLU A 48 15.128 -1.760 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.088 -0.816 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.737 -0.797 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.967 -3.103 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.785 -3.270 -0.107 1.00 0.00 H new ATOM 794 N PRO A 49 16.729 0.169 1.156 1.00 0.00 N ATOM 795 CA PRO A 49 17.718 1.253 1.158 1.00 0.00 C ATOM 796 C PRO A 49 17.941 1.839 -0.233 1.00 0.00 C ATOM 797 O PRO A 49 18.267 3.017 -0.376 1.00 0.00 O ATOM 798 CB PRO A 49 18.990 0.571 1.662 1.00 0.00 C ATOM 799 CG PRO A 49 18.503 -0.558 2.501 1.00 0.00 C ATOM 800 CD PRO A 49 17.224 -1.028 1.865 1.00 0.00 C ATOM 0 HA PRO A 49 17.398 2.095 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.603 0.214 0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.606 1.259 2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.238 -1.362 2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.332 -0.235 3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.398 -1.857 1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.510 -1.376 2.611 1.00 0.00 H new ATOM 808 N LYS A 50 17.762 1.009 -1.255 1.00 0.00 N ATOM 809 CA LYS A 50 17.943 1.444 -2.635 1.00 0.00 C ATOM 810 C LYS A 50 16.729 2.229 -3.120 1.00 0.00 C ATOM 811 O LYS A 50 16.846 3.105 -3.978 1.00 0.00 O ATOM 812 CB LYS A 50 18.185 0.239 -3.545 1.00 0.00 C ATOM 813 CG LYS A 50 18.940 0.581 -4.819 1.00 0.00 C ATOM 814 CD LYS A 50 17.990 0.823 -5.980 1.00 0.00 C ATOM 815 CE LYS A 50 18.740 0.942 -7.298 1.00 0.00 C ATOM 816 NZ LYS A 50 19.477 2.231 -7.404 1.00 0.00 N ATOM 0 H LYS A 50 17.492 0.031 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 50 18.814 2.098 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.744 -0.516 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.225 -0.205 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.550 1.470 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.622 -0.232 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.272 0.005 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.420 1.734 -5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.442 0.114 -7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.035 0.858 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.975 2.272 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.804 3.022 -7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.168 2.301 -6.630 1.00 0.00 H new ATOM 830 N MET A 51 15.563 1.907 -2.569 1.00 0.00 N ATOM 831 CA MET A 51 14.326 2.581 -2.947 1.00 0.00 C ATOM 832 C MET A 51 14.094 3.820 -2.089 1.00 0.00 C ATOM 833 O MET A 51 13.488 4.794 -2.537 1.00 0.00 O ATOM 834 CB MET A 51 13.140 1.625 -2.812 1.00 0.00 C ATOM 835 CG MET A 51 12.680 1.034 -4.134 1.00 0.00 C ATOM 836 SD MET A 51 12.184 2.293 -5.325 1.00 0.00 S ATOM 837 CE MET A 51 10.487 1.815 -5.637 1.00 0.00 C ATOM 0 H MET A 51 15.449 1.183 -1.859 1.00 0.00 H new ATOM 0 HA MET A 51 14.417 2.895 -3.987 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.413 0.814 -2.137 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.307 2.156 -2.352 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.485 0.435 -4.559 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.842 0.360 -3.954 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.149 2.262 -6.572 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.422 0.729 -5.709 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.855 2.162 -4.820 1.00 0.00 H new ATOM 847 N ALA A 52 14.576 3.777 -0.849 1.00 0.00 N ATOM 848 CA ALA A 52 14.418 4.895 0.074 1.00 0.00 C ATOM 849 C ALA A 52 14.938 6.193 -0.533 1.00 0.00 C ATOM 850 O ALA A 52 14.348 7.257 -0.344 1.00 0.00 O ATOM 851 CB ALA A 52 15.133 4.600 1.384 1.00 0.00 C ATOM 0 H ALA A 52 15.079 2.979 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 52 13.353 5.021 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.008 5.442 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.710 3.703 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.194 4.444 1.192 1.00 0.00 H new ATOM 857 N ALA A 53 16.044 6.100 -1.265 1.00 0.00 N ATOM 858 CA ALA A 53 16.639 7.269 -1.900 1.00 0.00 C ATOM 859 C ALA A 53 15.930 7.618 -3.209 1.00 0.00 C ATOM 860 O ALA A 53 16.286 8.591 -3.874 1.00 0.00 O ATOM 861 CB ALA A 53 18.121 7.036 -2.147 1.00 0.00 C ATOM 0 H ALA A 53 16.545 5.228 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 53 16.520 8.114 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.554 7.917 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.624 6.852 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.250 6.172 -2.799 1.00 0.00 H new ATOM 867 N SER A 54 14.929 6.821 -3.576 1.00 0.00 N ATOM 868 CA SER A 54 14.179 7.054 -4.804 1.00 0.00 C ATOM 869 C SER A 54 12.767 7.536 -4.496 1.00 0.00 C ATOM 870 O SER A 54 12.211 8.364 -5.218 1.00 0.00 O ATOM 871 CB SER A 54 14.122 5.774 -5.642 1.00 0.00 C ATOM 872 OG SER A 54 13.998 6.072 -7.021 1.00 0.00 O ATOM 0 H SER A 54 14.620 6.010 -3.040 1.00 0.00 H new ATOM 0 HA SER A 54 14.692 7.830 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.024 5.185 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.278 5.163 -5.322 1.00 0.00 H new ATOM 0 HG SER A 54 13.965 5.238 -7.534 1.00 0.00 H new ATOM 878 N LEU A 55 12.190 7.015 -3.419 1.00 0.00 N ATOM 879 CA LEU A 55 10.841 7.392 -3.016 1.00 0.00 C ATOM 880 C LEU A 55 10.796 8.846 -2.553 1.00 0.00 C ATOM 881 O LEU A 55 9.764 9.509 -2.659 1.00 0.00 O ATOM 882 CB LEU A 55 10.344 6.474 -1.899 1.00 0.00 C ATOM 883 CG LEU A 55 10.361 4.981 -2.236 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.880 4.171 -1.058 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.973 4.508 -2.639 1.00 0.00 C ATOM 0 H LEU A 55 12.636 6.330 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 55 10.188 7.285 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.958 6.639 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.325 6.761 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 55 11.034 4.829 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.884 3.112 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.894 4.489 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.234 4.330 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.005 3.444 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.278 4.676 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.639 5.064 -3.515 1.00 0.00 H new ATOM 897 N LEU A 56 11.921 9.336 -2.040 1.00 0.00 N ATOM 898 CA LEU A 56 12.007 10.711 -1.562 1.00 0.00 C ATOM 899 C LEU A 56 13.001 11.518 -2.393 1.00 0.00 C ATOM 900 O LEU A 56 13.587 12.485 -1.907 1.00 0.00 O ATOM 901 CB LEU A 56 12.420 10.735 -0.090 1.00 0.00 C ATOM 902 CG LEU A 56 13.807 10.161 0.202 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.852 11.266 0.199 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.810 9.424 1.533 1.00 0.00 C ATOM 0 H LEU A 56 12.784 8.801 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 56 11.022 11.166 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.388 11.765 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.683 10.177 0.488 1.00 0.00 H new ATOM 0 HG LEU A 56 14.058 9.449 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.833 10.840 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.868 11.749 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.605 12.002 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.805 9.022 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.538 10.114 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.089 8.607 1.498 1.00 0.00 H new ATOM 916 N ASN A 57 13.187 11.116 -3.647 1.00 0.00 N ATOM 917 CA ASN A 57 14.110 11.805 -4.540 1.00 0.00 C ATOM 918 C ASN A 57 13.364 12.780 -5.449 1.00 0.00 C ATOM 919 O ASN A 57 12.204 12.556 -5.794 1.00 0.00 O ATOM 920 CB ASN A 57 14.890 10.791 -5.382 1.00 0.00 C ATOM 921 CG ASN A 57 16.392 10.958 -5.248 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.873 11.651 -4.350 1.00 0.00 O ATOM 923 ND2 ASN A 57 17.140 10.322 -6.141 1.00 0.00 N ATOM 0 H ASN A 57 12.711 10.317 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 57 14.812 12.374 -3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.611 9.782 -5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.608 10.899 -6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.156 10.396 -6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.698 9.759 -6.868 1.00 0.00 H new ATOM 930 N PRO A 58 14.025 13.880 -5.851 1.00 0.00 N ATOM 931 CA PRO A 58 13.419 14.891 -6.722 1.00 0.00 C ATOM 932 C PRO A 58 13.303 14.427 -8.173 1.00 0.00 C ATOM 933 O PRO A 58 12.735 15.127 -9.012 1.00 0.00 O ATOM 934 CB PRO A 58 14.389 16.068 -6.616 1.00 0.00 C ATOM 935 CG PRO A 58 15.708 15.441 -6.319 1.00 0.00 C ATOM 936 CD PRO A 58 15.413 14.224 -5.484 1.00 0.00 C ATOM 0 HA PRO A 58 12.398 15.126 -6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.422 16.640 -7.543 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.091 16.758 -5.826 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.225 15.167 -7.239 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.357 16.134 -5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.101 13.408 -5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.505 14.436 -4.419 1.00 0.00 H new ATOM 944 N TYR A 59 13.842 13.246 -8.465 1.00 0.00 N ATOM 945 CA TYR A 59 13.795 12.699 -9.816 1.00 0.00 C ATOM 946 C TYR A 59 12.502 11.922 -10.044 1.00 0.00 C ATOM 947 O TYR A 59 11.868 12.048 -11.092 1.00 0.00 O ATOM 948 CB TYR A 59 15.001 11.791 -10.062 1.00 0.00 C ATOM 949 CG TYR A 59 16.311 12.385 -9.595 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.689 12.320 -8.260 1.00 0.00 C ATOM 951 CD2 TYR A 59 17.169 13.012 -10.490 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.883 12.864 -7.829 1.00 0.00 C ATOM 953 CE2 TYR A 59 18.367 13.557 -10.067 1.00 0.00 C ATOM 954 CZ TYR A 59 18.719 13.481 -8.737 1.00 0.00 C ATOM 955 OH TYR A 59 19.910 14.023 -8.312 1.00 0.00 O ATOM 0 H TYR A 59 14.315 12.651 -7.785 1.00 0.00 H new ATOM 0 HA TYR A 59 13.826 13.531 -10.520 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.840 10.841 -9.552 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.070 11.573 -11.128 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.038 11.836 -7.547 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.896 13.075 -11.533 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.161 12.807 -6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 59 19.024 14.040 -10.775 1.00 0.00 H new ATOM 0 HH TYR A 59 20.380 14.418 -9.075 1.00 0.00 H new ATOM 965 N VAL A 60 12.116 11.120 -9.058 1.00 0.00 N ATOM 966 CA VAL A 60 10.898 10.323 -9.153 1.00 0.00 C ATOM 967 C VAL A 60 9.673 11.208 -9.362 1.00 0.00 C ATOM 968 O VAL A 60 8.655 10.758 -9.887 1.00 0.00 O ATOM 969 CB VAL A 60 10.688 9.466 -7.890 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.628 8.271 -7.893 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.882 10.304 -6.635 1.00 0.00 C ATOM 0 H VAL A 60 12.629 11.004 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 60 11.018 9.666 -10.015 1.00 0.00 H new ATOM 0 HB VAL A 60 9.664 9.093 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.465 7.678 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.434 7.657 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.660 8.620 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.729 9.681 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.893 10.710 -6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.162 11.123 -6.629 1.00 0.00 H new ATOM 981 N LYS A 61 9.776 12.468 -8.950 1.00 0.00 N ATOM 982 CA LYS A 61 8.676 13.414 -9.096 1.00 0.00 C ATOM 983 C LYS A 61 7.460 12.963 -8.293 1.00 0.00 C ATOM 984 O LYS A 61 7.434 11.856 -7.754 1.00 0.00 O ATOM 985 CB LYS A 61 8.299 13.568 -10.571 1.00 0.00 C ATOM 986 CG LYS A 61 9.043 14.692 -11.274 1.00 0.00 C ATOM 987 CD LYS A 61 8.246 15.986 -11.255 1.00 0.00 C ATOM 988 CE LYS A 61 8.581 16.830 -10.036 1.00 0.00 C ATOM 989 NZ LYS A 61 7.893 18.149 -10.067 1.00 0.00 N ATOM 0 H LYS A 61 10.611 12.857 -8.512 1.00 0.00 H new ATOM 0 HA LYS A 61 9.007 14.378 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.500 12.630 -11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.227 13.750 -10.647 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.007 14.850 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.248 14.405 -12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.453 16.555 -12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.180 15.758 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.294 16.292 -9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.659 16.984 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.148 18.694 -9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.186 18.673 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.864 18.003 -10.088 1.00 0.00 H new ATOM 1003 N ARG A 62 6.453 13.827 -8.218 1.00 0.00 N ATOM 1004 CA ARG A 62 5.231 13.519 -7.482 1.00 0.00 C ATOM 1005 C ARG A 62 4.141 13.020 -8.424 1.00 0.00 C ATOM 1006 O ARG A 62 2.959 13.302 -8.226 1.00 0.00 O ATOM 1007 CB ARG A 62 4.742 14.754 -6.724 1.00 0.00 C ATOM 1008 CG ARG A 62 4.041 14.427 -5.416 1.00 0.00 C ATOM 1009 CD ARG A 62 2.533 14.348 -5.597 1.00 0.00 C ATOM 1010 NE ARG A 62 1.815 14.902 -4.452 1.00 0.00 N ATOM 1011 CZ ARG A 62 1.850 16.187 -4.105 1.00 0.00 C ATOM 1012 NH1 ARG A 62 2.567 17.053 -4.811 1.00 0.00 N ATOM 1013 NH2 ARG A 62 1.168 16.607 -3.048 1.00 0.00 N ATOM 0 H ARG A 62 6.459 14.747 -8.658 1.00 0.00 H new ATOM 0 HA ARG A 62 5.457 12.729 -6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.592 15.404 -6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.059 15.315 -7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.413 13.478 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.280 15.188 -4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.247 14.888 -6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.239 13.308 -5.741 1.00 0.00 H new ATOM 0 HE ARG A 62 1.254 14.267 -3.885 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.095 16.735 -5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.590 18.036 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.617 15.946 -2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.195 17.591 -2.782 1.00 0.00 H new ATOM 1027 N SER A 63 4.547 12.278 -9.448 1.00 0.00 N ATOM 1028 CA SER A 63 3.607 11.738 -10.424 1.00 0.00 C ATOM 1029 C SER A 63 4.284 10.696 -11.308 1.00 0.00 C ATOM 1030 O SER A 63 3.716 9.641 -11.589 1.00 0.00 O ATOM 1031 CB SER A 63 3.033 12.862 -11.288 1.00 0.00 C ATOM 1032 OG SER A 63 1.921 13.473 -10.657 1.00 0.00 O ATOM 0 H SER A 63 5.522 12.036 -9.624 1.00 0.00 H new ATOM 0 HA SER A 63 2.793 11.257 -9.881 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.804 13.609 -11.477 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.732 12.463 -12.256 1.00 0.00 H new ATOM 0 HG SER A 63 2.080 13.523 -9.691 1.00 0.00 H new ATOM 1038 N VAL A 64 5.503 11.000 -11.742 1.00 0.00 N ATOM 1039 CA VAL A 64 6.261 10.090 -12.592 1.00 0.00 C ATOM 1040 C VAL A 64 6.481 8.749 -11.899 1.00 0.00 C ATOM 1041 O VAL A 64 6.453 7.697 -12.538 1.00 0.00 O ATOM 1042 CB VAL A 64 7.628 10.689 -12.978 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.339 9.799 -13.984 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.456 12.097 -13.528 1.00 0.00 C ATOM 0 H VAL A 64 5.987 11.870 -11.519 1.00 0.00 H new ATOM 0 HA VAL A 64 5.673 9.936 -13.497 1.00 0.00 H new ATOM 0 HB VAL A 64 8.245 10.745 -12.081 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.302 10.240 -14.243 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.497 8.812 -13.549 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.729 9.706 -14.882 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.431 12.505 -13.795 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.820 12.067 -14.413 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.994 12.730 -12.770 1.00 0.00 H new ATOM 1054 N LYS A 65 6.696 8.795 -10.588 1.00 0.00 N ATOM 1055 CA LYS A 65 6.918 7.583 -9.808 1.00 0.00 C ATOM 1056 C LYS A 65 5.686 6.685 -9.844 1.00 0.00 C ATOM 1057 O LYS A 65 5.796 5.460 -9.783 1.00 0.00 O ATOM 1058 CB LYS A 65 7.262 7.939 -8.361 1.00 0.00 C ATOM 1059 CG LYS A 65 8.192 6.939 -7.693 1.00 0.00 C ATOM 1060 CD LYS A 65 7.419 5.931 -6.858 1.00 0.00 C ATOM 1061 CE LYS A 65 8.143 4.597 -6.786 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.455 4.060 -8.140 1.00 0.00 N ATOM 0 H LYS A 65 6.721 9.658 -10.044 1.00 0.00 H new ATOM 0 HA LYS A 65 7.755 7.042 -10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.726 8.925 -8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.340 8.007 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.771 6.415 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.903 7.469 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.276 6.324 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.427 5.786 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.067 4.716 -6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.528 3.879 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.280 3.035 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.849 4.525 -8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.453 4.244 -8.365 1.00 0.00 H new ATOM 1076 N VAL A 66 4.513 7.301 -9.945 1.00 0.00 N ATOM 1077 CA VAL A 66 3.260 6.558 -9.991 1.00 0.00 C ATOM 1078 C VAL A 66 3.214 5.638 -11.205 1.00 0.00 C ATOM 1079 O VAL A 66 2.692 4.526 -11.135 1.00 0.00 O ATOM 1080 CB VAL A 66 2.046 7.505 -10.030 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.748 6.718 -9.928 1.00 0.00 C ATOM 1082 CG2 VAL A 66 2.137 8.541 -8.919 1.00 0.00 C ATOM 0 H VAL A 66 4.404 8.314 -9.997 1.00 0.00 H new ATOM 0 HA VAL A 66 3.212 5.959 -9.082 1.00 0.00 H new ATOM 0 HB VAL A 66 2.052 8.029 -10.986 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.097 7.405 -9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.678 6.021 -10.763 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.732 6.163 -8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.270 9.200 -8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.160 8.037 -7.953 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.046 9.129 -9.043 1.00 0.00 H new ATOM 1092 N LYS A 67 3.766 6.109 -12.320 1.00 0.00 N ATOM 1093 CA LYS A 67 3.790 5.327 -13.550 1.00 0.00 C ATOM 1094 C LYS A 67 4.613 4.056 -13.369 1.00 0.00 C ATOM 1095 O LYS A 67 4.179 2.964 -13.735 1.00 0.00 O ATOM 1096 CB LYS A 67 4.360 6.160 -14.699 1.00 0.00 C ATOM 1097 CG LYS A 67 3.720 5.858 -16.045 1.00 0.00 C ATOM 1098 CD LYS A 67 4.427 6.591 -17.173 1.00 0.00 C ATOM 1099 CE LYS A 67 3.852 6.212 -18.529 1.00 0.00 C ATOM 1100 NZ LYS A 67 4.907 6.142 -19.578 1.00 0.00 N ATOM 0 H LYS A 67 4.202 7.028 -12.396 1.00 0.00 H new ATOM 0 HA LYS A 67 2.766 5.044 -13.791 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.226 7.218 -14.471 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.433 5.982 -14.768 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.751 4.784 -16.231 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.669 6.148 -16.023 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.333 7.667 -17.024 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.491 6.357 -17.150 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.350 5.248 -18.454 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.097 6.943 -18.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.475 5.881 -20.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.369 7.069 -19.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.614 5.427 -19.312 1.00 0.00 H new ATOM 1114 N SER A 68 5.806 4.207 -12.800 1.00 0.00 N ATOM 1115 CA SER A 68 6.690 3.071 -12.568 1.00 0.00 C ATOM 1116 C SER A 68 6.070 2.096 -11.572 1.00 0.00 C ATOM 1117 O SER A 68 6.300 0.889 -11.645 1.00 0.00 O ATOM 1118 CB SER A 68 8.048 3.552 -12.053 1.00 0.00 C ATOM 1119 OG SER A 68 7.980 3.904 -10.683 1.00 0.00 O ATOM 0 H SER A 68 6.181 5.104 -12.492 1.00 0.00 H new ATOM 0 HA SER A 68 6.833 2.552 -13.516 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.792 2.768 -12.193 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.377 4.412 -12.636 1.00 0.00 H new ATOM 0 HG SER A 68 7.167 4.427 -10.520 1.00 0.00 H new ATOM 1125 N LEU A 69 5.283 2.629 -10.643 1.00 0.00 N ATOM 1126 CA LEU A 69 4.629 1.806 -9.633 1.00 0.00 C ATOM 1127 C LEU A 69 3.539 0.940 -10.258 1.00 0.00 C ATOM 1128 O LEU A 69 3.199 -0.122 -9.734 1.00 0.00 O ATOM 1129 CB LEU A 69 4.027 2.688 -8.537 1.00 0.00 C ATOM 1130 CG LEU A 69 5.045 3.330 -7.592 1.00 0.00 C ATOM 1131 CD1 LEU A 69 4.396 4.447 -6.789 1.00 0.00 C ATOM 1132 CD2 LEU A 69 5.644 2.284 -6.665 1.00 0.00 C ATOM 0 H LEU A 69 5.083 3.626 -10.569 1.00 0.00 H new ATOM 0 HA LEU A 69 5.381 1.152 -9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.442 3.478 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.335 2.087 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 69 5.848 3.759 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.134 4.892 -6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.014 5.209 -7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.573 4.041 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.366 2.758 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.852 1.826 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.145 1.517 -7.257 1.00 0.00 H new ATOM 1144 N SER A 70 2.994 1.397 -11.381 1.00 0.00 N ATOM 1145 CA SER A 70 1.943 0.661 -12.074 1.00 0.00 C ATOM 1146 C SER A 70 2.499 -0.606 -12.716 1.00 0.00 C ATOM 1147 O SER A 70 1.774 -1.580 -12.918 1.00 0.00 O ATOM 1148 CB SER A 70 1.290 1.543 -13.139 1.00 0.00 C ATOM 1149 OG SER A 70 -0.035 1.118 -13.412 1.00 0.00 O ATOM 0 H SER A 70 3.263 2.273 -11.830 1.00 0.00 H new ATOM 0 HA SER A 70 1.190 0.374 -11.340 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.280 2.579 -12.801 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.881 1.511 -14.054 1.00 0.00 H new ATOM 0 HG SER A 70 -0.431 1.699 -14.095 1.00 0.00 H new ATOM 1155 N ASP A 71 3.790 -0.590 -13.033 1.00 0.00 N ATOM 1156 CA ASP A 71 4.436 -1.744 -13.647 1.00 0.00 C ATOM 1157 C ASP A 71 4.773 -2.792 -12.595 1.00 0.00 C ATOM 1158 O ASP A 71 4.606 -3.990 -12.823 1.00 0.00 O ATOM 1159 CB ASP A 71 5.705 -1.315 -14.385 1.00 0.00 C ATOM 1160 CG ASP A 71 5.979 -2.168 -15.608 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.257 -2.009 -16.616 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.914 -2.995 -15.559 1.00 0.00 O ATOM 0 H ASP A 71 4.407 0.207 -12.875 1.00 0.00 H new ATOM 0 HA ASP A 71 3.742 -2.182 -14.365 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.611 -0.272 -14.687 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.555 -1.375 -13.705 1.00 0.00 H new ATOM 1167 N MET A 72 5.239 -2.334 -11.438 1.00 0.00 N ATOM 1168 CA MET A 72 5.589 -3.235 -10.349 1.00 0.00 C ATOM 1169 C MET A 72 4.331 -3.829 -9.726 1.00 0.00 C ATOM 1170 O MET A 72 4.338 -4.966 -9.256 1.00 0.00 O ATOM 1171 CB MET A 72 6.414 -2.499 -9.288 1.00 0.00 C ATOM 1172 CG MET A 72 5.602 -1.547 -8.426 1.00 0.00 C ATOM 1173 SD MET A 72 6.586 -0.771 -7.129 1.00 0.00 S ATOM 1174 CE MET A 72 5.448 -0.846 -5.749 1.00 0.00 C ATOM 0 H MET A 72 5.382 -1.345 -11.232 1.00 0.00 H new ATOM 0 HA MET A 72 6.193 -4.047 -10.753 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.897 -3.234 -8.644 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.207 -1.938 -9.783 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.166 -0.773 -9.058 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.774 -2.091 -7.972 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.811 -0.208 -4.943 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.464 -0.502 -6.069 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.375 -1.874 -5.393 1.00 0.00 H new ATOM 1184 N THR A 73 3.251 -3.054 -9.732 1.00 0.00 N ATOM 1185 CA THR A 73 1.985 -3.506 -9.174 1.00 0.00 C ATOM 1186 C THR A 73 1.404 -4.636 -10.024 1.00 0.00 C ATOM 1187 O THR A 73 0.666 -5.486 -9.527 1.00 0.00 O ATOM 1188 CB THR A 73 1.005 -2.324 -9.068 1.00 0.00 C ATOM 1189 OG1 THR A 73 0.063 -2.502 -8.034 1.00 0.00 O ATOM 1190 CG2 THR A 73 0.225 -2.068 -10.322 1.00 0.00 C ATOM 0 H THR A 73 3.229 -2.110 -10.118 1.00 0.00 H new ATOM 0 HA THR A 73 2.154 -3.897 -8.171 1.00 0.00 H new ATOM 0 HB THR A 73 1.654 -1.472 -8.865 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.477 -2.284 -7.173 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.443 -1.221 -10.168 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.912 -1.845 -11.139 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.362 -2.952 -10.572 1.00 0.00 H new ATOM 1198 N ALA A 74 1.756 -4.647 -11.306 1.00 0.00 N ATOM 1199 CA ALA A 74 1.282 -5.683 -12.213 1.00 0.00 C ATOM 1200 C ALA A 74 2.299 -6.817 -12.333 1.00 0.00 C ATOM 1201 O ALA A 74 2.186 -7.672 -13.211 1.00 0.00 O ATOM 1202 CB ALA A 74 0.987 -5.089 -13.582 1.00 0.00 C ATOM 0 H ALA A 74 2.366 -3.952 -11.738 1.00 0.00 H new ATOM 0 HA ALA A 74 0.362 -6.098 -11.802 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.633 -5.874 -14.251 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.220 -4.320 -13.487 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.896 -4.647 -13.990 1.00 0.00 H new ATOM 1208 N LYS A 75 3.298 -6.817 -11.448 1.00 0.00 N ATOM 1209 CA LYS A 75 4.332 -7.846 -11.467 1.00 0.00 C ATOM 1210 C LYS A 75 4.597 -8.405 -10.068 1.00 0.00 C ATOM 1211 O LYS A 75 4.860 -9.598 -9.912 1.00 0.00 O ATOM 1212 CB LYS A 75 5.627 -7.282 -12.055 1.00 0.00 C ATOM 1213 CG LYS A 75 5.729 -7.438 -13.563 1.00 0.00 C ATOM 1214 CD LYS A 75 5.088 -6.267 -14.289 1.00 0.00 C ATOM 1215 CE LYS A 75 4.807 -6.601 -15.745 1.00 0.00 C ATOM 1216 NZ LYS A 75 3.549 -5.966 -16.228 1.00 0.00 N ATOM 0 H LYS A 75 3.410 -6.118 -10.714 1.00 0.00 H new ATOM 0 HA LYS A 75 3.974 -8.663 -12.093 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.701 -6.224 -11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.476 -7.782 -11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.777 -7.517 -13.852 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.244 -8.366 -13.867 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.158 -5.994 -13.791 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.745 -5.399 -14.234 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.642 -6.268 -16.362 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.736 -7.682 -15.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.393 -6.218 -17.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.748 -6.303 -15.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.626 -4.933 -16.140 1.00 0.00 H new ATOM 1230 N GLU A 76 4.535 -7.543 -9.056 1.00 0.00 N ATOM 1231 CA GLU A 76 4.777 -7.966 -7.680 1.00 0.00 C ATOM 1232 C GLU A 76 3.651 -8.860 -7.176 1.00 0.00 C ATOM 1233 O GLU A 76 3.885 -9.972 -6.702 1.00 0.00 O ATOM 1234 CB GLU A 76 4.922 -6.746 -6.768 1.00 0.00 C ATOM 1235 CG GLU A 76 6.366 -6.404 -6.433 1.00 0.00 C ATOM 1236 CD GLU A 76 7.127 -7.582 -5.854 1.00 0.00 C ATOM 1237 OE1 GLU A 76 6.487 -8.607 -5.537 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.364 -7.478 -5.717 1.00 0.00 O ATOM 0 H GLU A 76 4.320 -6.552 -9.162 1.00 0.00 H new ATOM 0 HA GLU A 76 5.704 -8.539 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.456 -5.886 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.376 -6.928 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.872 -6.058 -7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.384 -5.579 -5.720 1.00 0.00 H new ATOM 1245 N LYS A 77 2.431 -8.358 -7.284 1.00 0.00 N ATOM 1246 CA LYS A 77 1.246 -9.086 -6.845 1.00 0.00 C ATOM 1247 C LYS A 77 0.018 -8.189 -6.939 1.00 0.00 C ATOM 1248 O LYS A 77 -1.096 -8.663 -7.162 1.00 0.00 O ATOM 1249 CB LYS A 77 1.420 -9.605 -5.414 1.00 0.00 C ATOM 1250 CG LYS A 77 2.085 -8.616 -4.471 1.00 0.00 C ATOM 1251 CD LYS A 77 2.806 -9.330 -3.339 1.00 0.00 C ATOM 1252 CE LYS A 77 4.155 -9.868 -3.788 1.00 0.00 C ATOM 1253 NZ LYS A 77 4.934 -10.432 -2.653 1.00 0.00 N ATOM 0 H LYS A 77 2.232 -7.438 -7.677 1.00 0.00 H new ATOM 0 HA LYS A 77 1.108 -9.946 -7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.441 -9.870 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.012 -10.520 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.794 -8.002 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.334 -7.942 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.947 -8.642 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.189 -10.151 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.005 -10.639 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.727 -9.068 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.923 -10.569 -2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.898 -9.776 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.526 -11.347 -2.373 1.00 0.00 H new ATOM 1267 N PHE A 78 0.239 -6.884 -6.782 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.829 -5.899 -6.865 1.00 0.00 C ATOM 1269 C PHE A 78 -1.635 -6.059 -8.141 1.00 0.00 C ATOM 1270 O PHE A 78 -1.450 -7.018 -8.889 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.247 -4.503 -6.850 1.00 0.00 C ATOM 1272 CG PHE A 78 0.795 -4.267 -5.806 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.860 -5.037 -4.658 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.733 -3.276 -5.999 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.856 -4.814 -3.725 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.718 -3.041 -5.079 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.788 -3.812 -3.935 1.00 0.00 C ATOM 0 H PHE A 78 1.159 -6.486 -6.595 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.481 -6.055 -6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.186 -4.295 -7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.057 -3.789 -6.702 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.130 -5.815 -4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.690 -2.673 -6.894 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.907 -5.421 -2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.439 -2.255 -5.247 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.566 -3.634 -3.208 1.00 0.00 H new ATOM 1287 N SER A 79 -2.506 -5.080 -8.384 1.00 0.00 N ATOM 1288 CA SER A 79 -3.353 -5.035 -9.575 1.00 0.00 C ATOM 1289 C SER A 79 -4.823 -4.864 -9.210 1.00 0.00 C ATOM 1290 O SER A 79 -5.534 -4.093 -9.850 1.00 0.00 O ATOM 1291 CB SER A 79 -3.189 -6.277 -10.461 1.00 0.00 C ATOM 1292 OG SER A 79 -4.077 -6.235 -11.566 1.00 0.00 O ATOM 0 H SER A 79 -2.645 -4.289 -7.754 1.00 0.00 H new ATOM 0 HA SER A 79 -3.021 -4.166 -10.144 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.161 -6.340 -10.818 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.377 -7.175 -9.873 1.00 0.00 H new ATOM 0 HG SER A 79 -3.952 -7.036 -12.116 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.327 -5.617 -8.219 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.720 -5.557 -7.841 1.00 0.00 C ATOM 1300 C PRO A 80 -7.014 -4.719 -6.601 1.00 0.00 C ATOM 1301 O PRO A 80 -7.667 -3.680 -6.699 1.00 0.00 O ATOM 1302 CB PRO A 80 -7.032 -7.028 -7.587 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.727 -7.639 -7.141 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.629 -6.634 -7.436 1.00 0.00 C ATOM 0 HA PRO A 80 -7.324 -5.070 -8.606 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.801 -7.141 -6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.406 -7.513 -8.489 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.757 -7.873 -6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.542 -8.575 -7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.203 -6.220 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.808 -7.083 -7.995 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.552 -5.159 -5.435 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.809 -4.411 -4.215 1.00 0.00 C ATOM 1314 C LEU A 81 -5.625 -3.530 -3.885 1.00 0.00 C ATOM 1315 O LEU A 81 -5.587 -2.869 -2.847 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.109 -5.352 -3.056 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.490 -6.006 -3.102 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.582 -4.950 -3.017 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.645 -6.832 -4.369 1.00 0.00 C ATOM 0 H LEU A 81 -6.008 -6.013 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.684 -3.781 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.352 -6.136 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.016 -4.797 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.586 -6.671 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.559 -5.433 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.483 -4.398 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.488 -4.261 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.634 -7.291 -4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.529 -6.187 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.883 -7.611 -4.391 1.00 0.00 H new ATOM 1331 N THR A 82 -4.661 -3.527 -4.787 1.00 0.00 N ATOM 1332 CA THR A 82 -3.468 -2.737 -4.625 1.00 0.00 C ATOM 1333 C THR A 82 -3.272 -1.811 -5.819 1.00 0.00 C ATOM 1334 O THR A 82 -2.335 -1.021 -5.844 1.00 0.00 O ATOM 1335 CB THR A 82 -2.264 -3.649 -4.451 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.669 -5.005 -4.381 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.464 -3.337 -3.204 1.00 0.00 C ATOM 0 H THR A 82 -4.688 -4.073 -5.648 1.00 0.00 H new ATOM 0 HA THR A 82 -3.573 -2.120 -3.733 1.00 0.00 H new ATOM 0 HB THR A 82 -1.633 -3.475 -5.323 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.205 -5.145 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.618 -4.021 -3.134 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.099 -2.311 -3.253 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.099 -3.454 -2.326 1.00 0.00 H new ATOM 1345 N SER A 83 -4.168 -1.895 -6.807 1.00 0.00 N ATOM 1346 CA SER A 83 -4.062 -1.036 -7.976 1.00 0.00 C ATOM 1347 C SER A 83 -4.874 0.238 -7.781 1.00 0.00 C ATOM 1348 O SER A 83 -5.372 0.834 -8.736 1.00 0.00 O ATOM 1349 CB SER A 83 -4.523 -1.756 -9.237 1.00 0.00 C ATOM 1350 OG SER A 83 -4.443 -0.906 -10.368 1.00 0.00 O ATOM 0 H SER A 83 -4.959 -2.539 -6.817 1.00 0.00 H new ATOM 0 HA SER A 83 -3.011 -0.774 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.908 -2.641 -9.399 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.549 -2.100 -9.109 1.00 0.00 H new ATOM 0 HG SER A 83 -4.955 -0.088 -10.199 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.974 0.647 -6.531 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.688 1.851 -6.147 1.00 0.00 C ATOM 1358 C ASN A 84 -4.936 2.466 -4.991 1.00 0.00 C ATOM 1359 O ASN A 84 -4.645 3.662 -4.976 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.130 1.530 -5.745 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.868 0.750 -6.815 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.175 1.277 -7.884 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.159 -0.514 -6.531 1.00 0.00 N ATOM 0 H ASN A 84 -4.558 0.148 -5.745 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.741 2.545 -6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.127 0.956 -4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.663 2.459 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.656 -1.088 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.885 -0.911 -5.632 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.570 1.606 -4.050 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.785 2.019 -2.913 1.00 0.00 C ATOM 1372 C LEU A 85 -2.381 2.364 -3.396 1.00 0.00 C ATOM 1373 O LEU A 85 -1.646 3.091 -2.729 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.739 0.903 -1.861 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.729 1.110 -0.728 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.305 2.027 0.339 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.325 -0.228 -0.122 1.00 0.00 C ATOM 0 H LEU A 85 -4.810 0.615 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.237 2.894 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.732 0.797 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.509 -0.037 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.839 1.583 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.574 2.163 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.544 2.994 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.211 1.582 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.607 -0.062 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.207 -0.728 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.871 -0.853 -0.891 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.013 1.843 -4.579 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.702 2.116 -5.142 1.00 0.00 C ATOM 1391 C ILE A 86 -0.574 3.592 -5.506 1.00 0.00 C ATOM 1392 O ILE A 86 0.413 4.243 -5.165 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.415 1.228 -6.385 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.666 0.197 -6.059 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.004 2.064 -7.590 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.208 -0.879 -5.103 1.00 0.00 C ATOM 0 H ILE A 86 -2.605 1.239 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 86 0.039 1.872 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.340 0.712 -6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.001 -0.270 -6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.527 0.709 -5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.196 1.408 -8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.794 2.762 -7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.910 2.621 -7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.027 -1.574 -4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.100 -0.423 -4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.634 -1.418 -5.538 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.585 4.114 -6.194 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.589 5.513 -6.597 1.00 0.00 C ATOM 1410 C ASN A 87 -1.852 6.417 -5.397 1.00 0.00 C ATOM 1411 O ASN A 87 -1.427 7.571 -5.372 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.647 5.755 -7.675 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.319 5.047 -8.975 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.166 4.705 -9.235 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.335 4.826 -9.801 1.00 0.00 N ATOM 0 H ASN A 87 -2.410 3.589 -6.483 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.607 5.752 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.616 5.413 -7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.736 6.826 -7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.175 4.355 -10.692 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.275 5.127 -9.545 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.554 5.880 -4.403 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.871 6.634 -3.198 1.00 0.00 C ATOM 1424 C LEU A 88 -1.662 6.714 -2.274 1.00 0.00 C ATOM 1425 O LEU A 88 -1.483 7.696 -1.554 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.051 5.992 -2.464 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.030 6.978 -1.823 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.446 6.427 -1.864 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.615 7.284 -0.392 1.00 0.00 C ATOM 0 H LEU A 88 -2.913 4.925 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.146 7.646 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.599 5.365 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.661 5.334 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.008 7.907 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.128 7.142 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.741 6.259 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.486 5.484 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.322 7.987 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.608 6.362 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.617 7.723 -0.388 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.829 5.677 -2.301 1.00 0.00 N ATOM 1442 CA LEU A 89 0.363 5.643 -1.464 1.00 0.00 C ATOM 1443 C LEU A 89 1.401 6.634 -1.975 1.00 0.00 C ATOM 1444 O LEU A 89 2.125 7.252 -1.193 1.00 0.00 O ATOM 1445 CB LEU A 89 0.950 4.230 -1.432 1.00 0.00 C ATOM 1446 CG LEU A 89 0.910 3.549 -0.064 1.00 0.00 C ATOM 1447 CD1 LEU A 89 -0.492 3.603 0.524 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.389 2.110 -0.172 1.00 0.00 C ATOM 0 H LEU A 89 -0.958 4.854 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 89 0.082 5.927 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.408 3.610 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.985 4.274 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 89 1.581 4.087 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.497 3.113 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.798 4.643 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.186 3.092 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.354 1.640 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.744 1.562 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.413 2.094 -0.545 1.00 0.00 H new ATOM 1460 N ALA A 90 1.465 6.784 -3.292 1.00 0.00 N ATOM 1461 CA ALA A 90 2.409 7.702 -3.913 1.00 0.00 C ATOM 1462 C ALA A 90 1.698 8.940 -4.455 1.00 0.00 C ATOM 1463 O ALA A 90 2.193 9.598 -5.371 1.00 0.00 O ATOM 1464 CB ALA A 90 3.173 7.001 -5.026 1.00 0.00 C ATOM 0 H ALA A 90 0.872 6.280 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 90 3.116 8.027 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.875 7.699 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.720 6.153 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.472 6.647 -5.782 1.00 0.00 H new ATOM 1470 N GLU A 91 0.536 9.252 -3.887 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.237 10.410 -4.317 1.00 0.00 C ATOM 1472 C GLU A 91 0.159 11.651 -3.524 1.00 0.00 C ATOM 1473 O GLU A 91 0.528 12.676 -4.098 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.735 10.141 -4.153 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.534 10.354 -5.429 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.839 9.582 -5.435 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.575 9.653 -4.430 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.122 8.905 -6.446 1.00 0.00 O ATOM 0 H GLU A 91 0.111 8.719 -3.129 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.022 10.589 -5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.876 9.115 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.130 10.793 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.744 11.417 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.932 10.050 -6.285 1.00 0.00 H new ATOM 1485 N ASN A 92 0.079 11.552 -2.201 1.00 0.00 N ATOM 1486 CA ASN A 92 0.429 12.667 -1.330 1.00 0.00 C ATOM 1487 C ASN A 92 1.742 12.406 -0.597 1.00 0.00 C ATOM 1488 O ASN A 92 2.013 13.006 0.442 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.690 12.921 -0.319 1.00 0.00 C ATOM 1490 CG ASN A 92 -1.772 13.830 -0.869 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.809 15.023 -0.565 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -2.658 13.270 -1.682 1.00 0.00 N ATOM 0 H ASN A 92 -0.225 10.712 -1.709 1.00 0.00 H new ATOM 0 HA ASN A 92 0.557 13.551 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.133 11.969 -0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.268 13.367 0.581 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.409 13.832 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.588 12.277 -1.906 1.00 0.00 H new ATOM 1499 N GLY A 93 2.557 11.508 -1.144 1.00 0.00 N ATOM 1500 CA GLY A 93 3.829 11.188 -0.526 1.00 0.00 C ATOM 1501 C GLY A 93 3.681 10.248 0.654 1.00 0.00 C ATOM 1502 O GLY A 93 4.448 10.319 1.613 1.00 0.00 O ATOM 0 H GLY A 93 2.358 10.997 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.486 10.734 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.310 12.108 -0.195 1.00 0.00 H new ATOM 1506 N ARG A 94 2.688 9.367 0.584 1.00 0.00 N ATOM 1507 CA ARG A 94 2.442 8.410 1.656 1.00 0.00 C ATOM 1508 C ARG A 94 3.589 7.409 1.777 1.00 0.00 C ATOM 1509 O ARG A 94 3.704 6.708 2.783 1.00 0.00 O ATOM 1510 CB ARG A 94 1.127 7.667 1.413 1.00 0.00 C ATOM 1511 CG ARG A 94 0.421 7.249 2.693 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.053 8.455 3.487 1.00 0.00 C ATOM 1513 NE ARG A 94 0.948 8.904 4.451 1.00 0.00 N ATOM 1514 CZ ARG A 94 0.792 9.963 5.243 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -0.321 10.683 5.187 1.00 0.00 N ATOM 1516 NH2 ARG A 94 1.752 10.301 6.092 1.00 0.00 N ATOM 0 H ARG A 94 2.042 9.296 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 94 2.373 8.966 2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.461 8.304 0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.326 6.780 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.431 6.615 2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.098 6.652 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.288 9.270 2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.975 8.204 4.012 1.00 0.00 H new ATOM 0 HE ARG A 94 1.818 8.375 4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.062 10.426 4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.435 11.493 5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.609 9.750 6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.634 11.112 6.699 1.00 0.00 H new ATOM 1530 N LEU A 95 4.436 7.344 0.753 1.00 0.00 N ATOM 1531 CA LEU A 95 5.570 6.425 0.759 1.00 0.00 C ATOM 1532 C LEU A 95 6.635 6.882 1.750 1.00 0.00 C ATOM 1533 O LEU A 95 7.752 7.234 1.371 1.00 0.00 O ATOM 1534 CB LEU A 95 6.168 6.310 -0.645 1.00 0.00 C ATOM 1535 CG LEU A 95 5.287 5.585 -1.666 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.863 5.731 -3.067 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.143 4.116 -1.297 1.00 0.00 C ATOM 0 H LEU A 95 4.359 7.915 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 95 5.211 5.444 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.379 7.313 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.122 5.788 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 95 4.297 6.041 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.224 5.209 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.914 6.787 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.864 5.301 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.514 3.616 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.127 3.647 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.685 4.032 -0.311 1.00 0.00 H new ATOM 1549 N THR A 96 6.271 6.861 3.024 1.00 0.00 N ATOM 1550 CA THR A 96 7.171 7.256 4.099 1.00 0.00 C ATOM 1551 C THR A 96 6.873 6.430 5.343 1.00 0.00 C ATOM 1552 O THR A 96 7.780 5.930 6.008 1.00 0.00 O ATOM 1553 CB THR A 96 7.019 8.747 4.405 1.00 0.00 C ATOM 1554 OG1 THR A 96 5.720 9.028 4.895 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.259 9.633 3.202 1.00 0.00 C ATOM 0 H THR A 96 5.346 6.571 3.342 1.00 0.00 H new ATOM 0 HA THR A 96 8.199 7.075 3.785 1.00 0.00 H new ATOM 0 HB THR A 96 7.780 8.967 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.643 9.986 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.135 10.677 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.272 9.476 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.543 9.385 2.419 1.00 0.00 H new ATOM 1563 N ASN A 97 5.586 6.279 5.633 1.00 0.00 N ATOM 1564 CA ASN A 97 5.139 5.499 6.778 1.00 0.00 C ATOM 1565 C ASN A 97 4.314 4.300 6.313 1.00 0.00 C ATOM 1566 O ASN A 97 3.544 3.729 7.085 1.00 0.00 O ATOM 1567 CB ASN A 97 4.309 6.371 7.723 1.00 0.00 C ATOM 1568 CG ASN A 97 5.159 7.367 8.485 1.00 0.00 C ATOM 1569 OD1 ASN A 97 5.665 7.070 9.567 1.00 0.00 O ATOM 1570 ND2 ASN A 97 5.318 8.561 7.925 1.00 0.00 N ATOM 0 H ASN A 97 4.830 6.690 5.086 1.00 0.00 H new ATOM 0 HA ASN A 97 6.016 5.136 7.314 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.553 6.907 7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.779 5.733 8.431 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.877 9.274 8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.881 8.765 7.026 1.00 0.00 H new ATOM 1577 N THR A 98 4.478 3.927 5.041 1.00 0.00 N ATOM 1578 CA THR A 98 3.750 2.800 4.463 1.00 0.00 C ATOM 1579 C THR A 98 3.739 1.588 5.396 1.00 0.00 C ATOM 1580 O THR A 98 2.685 1.007 5.653 1.00 0.00 O ATOM 1581 CB THR A 98 4.363 2.411 3.118 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.116 3.483 2.580 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.332 2.013 2.086 1.00 0.00 C ATOM 0 H THR A 98 5.112 4.393 4.392 1.00 0.00 H new ATOM 0 HA THR A 98 2.718 3.119 4.318 1.00 0.00 H new ATOM 0 HB THR A 98 4.997 1.550 3.328 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.204 3.367 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.833 1.749 1.155 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.766 1.156 2.449 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.653 2.847 1.909 1.00 0.00 H new ATOM 1591 N PRO A 99 4.915 1.183 5.913 1.00 0.00 N ATOM 1592 CA PRO A 99 5.028 0.032 6.814 1.00 0.00 C ATOM 1593 C PRO A 99 3.922 -0.004 7.865 1.00 0.00 C ATOM 1594 O PRO A 99 3.524 -1.075 8.324 1.00 0.00 O ATOM 1595 CB PRO A 99 6.390 0.244 7.468 1.00 0.00 C ATOM 1596 CG PRO A 99 7.194 0.944 6.426 1.00 0.00 C ATOM 1597 CD PRO A 99 6.228 1.810 5.659 1.00 0.00 C ATOM 0 HA PRO A 99 4.932 -0.916 6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.307 0.843 8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.847 -0.704 7.753 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.980 1.547 6.881 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.683 0.228 5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.252 2.842 6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.464 1.827 4.595 1.00 0.00 H new ATOM 1605 N ALA A 100 3.425 1.170 8.239 1.00 0.00 N ATOM 1606 CA ALA A 100 2.361 1.263 9.231 1.00 0.00 C ATOM 1607 C ALA A 100 1.034 0.795 8.645 1.00 0.00 C ATOM 1608 O ALA A 100 0.263 0.101 9.307 1.00 0.00 O ATOM 1609 CB ALA A 100 2.242 2.688 9.747 1.00 0.00 C ATOM 0 H ALA A 100 3.741 2.068 7.871 1.00 0.00 H new ATOM 0 HA ALA A 100 2.613 0.610 10.067 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.443 2.742 10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.184 2.988 10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.014 3.357 8.918 1.00 0.00 H new ATOM 1615 N VAL A 101 0.778 1.173 7.397 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.453 0.784 6.721 1.00 0.00 C ATOM 1617 C VAL A 101 -0.478 -0.718 6.463 1.00 0.00 C ATOM 1618 O VAL A 101 -1.546 -1.322 6.361 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.619 1.527 5.382 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.992 1.257 4.788 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.394 3.020 5.569 1.00 0.00 C ATOM 0 H VAL A 101 1.406 1.747 6.834 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.278 1.055 7.379 1.00 0.00 H new ATOM 0 HB VAL A 101 0.132 1.155 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.091 1.790 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.110 0.187 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.762 1.600 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.515 3.529 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.119 3.411 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.614 3.192 5.946 1.00 0.00 H new ATOM 1631 N ILE A 102 0.705 -1.316 6.360 1.00 0.00 N ATOM 1632 CA ILE A 102 0.818 -2.749 6.116 1.00 0.00 C ATOM 1633 C ILE A 102 0.479 -3.548 7.370 1.00 0.00 C ATOM 1634 O ILE A 102 -0.290 -4.507 7.315 1.00 0.00 O ATOM 1635 CB ILE A 102 2.238 -3.127 5.652 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.682 -2.216 4.506 1.00 0.00 C ATOM 1637 CG2 ILE A 102 2.285 -4.588 5.226 1.00 0.00 C ATOM 1638 CD1 ILE A 102 4.083 -2.504 4.014 1.00 0.00 C ATOM 0 H ILE A 102 1.598 -0.830 6.442 1.00 0.00 H new ATOM 0 HA ILE A 102 0.106 -2.994 5.328 1.00 0.00 H new ATOM 0 HB ILE A 102 2.926 -2.991 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.984 -2.324 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.627 -1.178 4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.294 -4.840 4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.006 -5.222 6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.588 -4.750 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.331 -1.821 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.791 -2.368 4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.138 -3.531 3.654 1.00 0.00 H new ATOM 1650 N SER A 103 1.056 -3.148 8.498 1.00 0.00 N ATOM 1651 CA SER A 103 0.810 -3.830 9.763 1.00 0.00 C ATOM 1652 C SER A 103 -0.571 -3.482 10.304 1.00 0.00 C ATOM 1653 O SER A 103 -1.230 -4.309 10.933 1.00 0.00 O ATOM 1654 CB SER A 103 1.882 -3.458 10.787 1.00 0.00 C ATOM 1655 OG SER A 103 1.901 -4.380 11.863 1.00 0.00 O ATOM 0 H SER A 103 1.696 -2.356 8.562 1.00 0.00 H new ATOM 0 HA SER A 103 0.852 -4.904 9.583 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.859 -3.437 10.304 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.693 -2.454 11.167 1.00 0.00 H new ATOM 0 HG SER A 103 2.596 -4.121 12.503 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.006 -2.252 10.049 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.311 -1.796 10.507 1.00 0.00 C ATOM 1663 C ALA A 104 -3.428 -2.551 9.796 1.00 0.00 C ATOM 1664 O ALA A 104 -4.500 -2.768 10.360 1.00 0.00 O ATOM 1665 CB ALA A 104 -2.454 -0.299 10.283 1.00 0.00 C ATOM 0 H ALA A 104 -0.474 -1.555 9.528 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.391 -1.999 11.575 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.434 0.029 10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.678 0.228 10.838 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.353 -0.079 9.220 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.170 -2.950 8.554 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.154 -3.683 7.768 1.00 0.00 C ATOM 1673 C PHE A 105 -4.495 -5.013 8.427 1.00 0.00 C ATOM 1674 O PHE A 105 -5.654 -5.422 8.461 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.633 -3.933 6.349 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.616 -4.648 5.458 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.978 -4.559 5.691 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.176 -5.412 4.387 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -6.877 -5.207 4.873 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.075 -6.062 3.569 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.424 -5.958 3.811 1.00 0.00 C ATOM 0 H PHE A 105 -2.288 -2.778 8.071 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.057 -3.074 7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.373 -2.977 5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.716 -4.519 6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.340 -3.975 6.524 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.117 -5.498 4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.937 -5.126 5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.719 -6.653 2.738 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.129 -6.465 3.169 1.00 0.00 H new ATOM 1691 N SER A 106 -3.473 -5.688 8.940 1.00 0.00 N ATOM 1692 CA SER A 106 -3.661 -6.978 9.590 1.00 0.00 C ATOM 1693 C SER A 106 -4.648 -6.879 10.749 1.00 0.00 C ATOM 1694 O SER A 106 -5.304 -7.860 11.100 1.00 0.00 O ATOM 1695 CB SER A 106 -2.320 -7.522 10.085 1.00 0.00 C ATOM 1696 OG SER A 106 -2.497 -8.711 10.836 1.00 0.00 O ATOM 0 H SER A 106 -2.506 -5.363 8.918 1.00 0.00 H new ATOM 0 HA SER A 106 -4.076 -7.666 8.853 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.668 -7.719 9.234 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.824 -6.771 10.699 1.00 0.00 H new ATOM 0 HG SER A 106 -1.625 -9.039 11.139 1.00 0.00 H new ATOM 1702 N THR A 107 -4.754 -5.694 11.338 1.00 0.00 N ATOM 1703 CA THR A 107 -5.669 -5.482 12.453 1.00 0.00 C ATOM 1704 C THR A 107 -7.063 -5.138 11.949 1.00 0.00 C ATOM 1705 O THR A 107 -8.064 -5.513 12.559 1.00 0.00 O ATOM 1706 CB THR A 107 -5.150 -4.372 13.369 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.848 -4.675 13.838 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.029 -4.134 14.578 1.00 0.00 C ATOM 0 H THR A 107 -4.221 -4.869 11.064 1.00 0.00 H new ATOM 0 HA THR A 107 -5.727 -6.408 13.024 1.00 0.00 H new ATOM 0 HB THR A 107 -5.149 -3.470 12.757 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.534 -3.952 14.420 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.604 -3.335 15.185 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.029 -3.849 14.251 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.088 -5.047 15.170 1.00 0.00 H new ATOM 1716 N MET A 108 -7.124 -4.436 10.824 1.00 0.00 N ATOM 1717 CA MET A 108 -8.397 -4.060 10.236 1.00 0.00 C ATOM 1718 C MET A 108 -8.987 -5.234 9.465 1.00 0.00 C ATOM 1719 O MET A 108 -10.205 -5.358 9.336 1.00 0.00 O ATOM 1720 CB MET A 108 -8.219 -2.855 9.314 1.00 0.00 C ATOM 1721 CG MET A 108 -7.413 -1.730 9.941 1.00 0.00 C ATOM 1722 SD MET A 108 -8.415 -0.653 10.984 1.00 0.00 S ATOM 1723 CE MET A 108 -7.256 -0.276 12.295 1.00 0.00 C ATOM 0 H MET A 108 -6.306 -4.118 10.304 1.00 0.00 H new ATOM 0 HA MET A 108 -9.085 -3.787 11.036 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.726 -3.178 8.397 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.201 -2.475 9.031 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.605 -2.156 10.536 1.00 0.00 H new ATOM 0 HG3 MET A 108 -6.950 -1.137 9.152 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.730 0.384 13.021 1.00 0.00 H new ATOM 0 HE2 MET A 108 -6.951 -1.199 12.788 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.379 0.217 11.875 1.00 0.00 H new ATOM 1733 N MET A 109 -8.111 -6.098 8.960 1.00 0.00 N ATOM 1734 CA MET A 109 -8.541 -7.269 8.210 1.00 0.00 C ATOM 1735 C MET A 109 -8.987 -8.392 9.146 1.00 0.00 C ATOM 1736 O MET A 109 -9.556 -9.385 8.700 1.00 0.00 O ATOM 1737 CB MET A 109 -7.414 -7.767 7.302 1.00 0.00 C ATOM 1738 CG MET A 109 -6.234 -8.356 8.056 1.00 0.00 C ATOM 1739 SD MET A 109 -6.430 -10.117 8.389 1.00 0.00 S ATOM 1740 CE MET A 109 -5.252 -10.345 9.718 1.00 0.00 C ATOM 0 H MET A 109 -7.100 -6.007 9.058 1.00 0.00 H new ATOM 0 HA MET A 109 -9.392 -6.975 7.595 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.813 -8.521 6.624 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.063 -6.939 6.687 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.324 -8.199 7.478 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.108 -7.824 8.999 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.911 -11.380 9.728 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.399 -9.683 9.566 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.728 -10.111 10.670 1.00 0.00 H new ATOM 1750 N SER A 110 -8.730 -8.234 10.445 1.00 0.00 N ATOM 1751 CA SER A 110 -9.119 -9.246 11.423 1.00 0.00 C ATOM 1752 C SER A 110 -10.396 -8.831 12.140 1.00 0.00 C ATOM 1753 O SER A 110 -11.222 -9.672 12.493 1.00 0.00 O ATOM 1754 CB SER A 110 -7.996 -9.476 12.435 1.00 0.00 C ATOM 1755 OG SER A 110 -7.960 -10.828 12.859 1.00 0.00 O ATOM 0 H SER A 110 -8.258 -7.421 10.840 1.00 0.00 H new ATOM 0 HA SER A 110 -9.304 -10.180 10.893 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.039 -9.206 11.988 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.140 -8.825 13.297 1.00 0.00 H new ATOM 0 HG SER A 110 -7.232 -10.949 13.504 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.559 -7.529 12.336 1.00 0.00 N ATOM 1762 CA VAL A 111 -11.748 -7.007 12.993 1.00 0.00 C ATOM 1763 C VAL A 111 -12.983 -7.216 12.119 1.00 0.00 C ATOM 1764 O VAL A 111 -14.114 -7.070 12.583 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.604 -5.507 13.314 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -12.811 -5.004 14.093 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -10.318 -5.247 14.085 1.00 0.00 C ATOM 0 H VAL A 111 -9.885 -6.818 12.050 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.865 -7.555 13.928 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.556 -4.959 12.373 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -12.688 -3.943 14.309 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -13.714 -5.152 13.500 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.897 -5.557 15.028 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.233 -4.182 14.303 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.334 -5.808 15.019 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.464 -5.564 13.486 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.759 -7.561 10.850 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.844 -7.789 9.918 1.00 0.00 C ATOM 1779 C HIS A 112 -14.548 -9.112 10.216 1.00 0.00 C ATOM 1780 O HIS A 112 -15.733 -9.275 9.925 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.295 -7.781 8.493 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.765 -9.100 8.027 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.967 -9.914 8.800 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.930 -9.743 6.856 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.664 -11.004 8.119 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -12.239 -10.926 6.935 1.00 0.00 N ATOM 0 H HIS A 112 -11.829 -7.687 10.451 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.579 -6.991 10.025 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -14.085 -7.460 7.814 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.499 -7.040 8.428 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -13.501 -9.392 6.009 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -11.050 -11.820 8.471 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -12.180 -11.629 6.199 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.807 -10.055 10.796 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.362 -11.362 11.127 1.00 0.00 C ATOM 1797 C ARG A 113 -15.461 -11.235 12.177 1.00 0.00 C ATOM 1798 O ARG A 113 -16.467 -11.943 12.125 1.00 0.00 O ATOM 1799 CB ARG A 113 -13.260 -12.294 11.633 1.00 0.00 C ATOM 1800 CG ARG A 113 -13.424 -13.734 11.175 1.00 0.00 C ATOM 1801 CD ARG A 113 -12.086 -14.366 10.828 1.00 0.00 C ATOM 1802 NE ARG A 113 -12.220 -15.778 10.477 1.00 0.00 N ATOM 1803 CZ ARG A 113 -11.190 -16.575 10.203 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -9.950 -16.104 10.239 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -11.401 -17.846 9.894 1.00 0.00 N ATOM 0 H ARG A 113 -12.825 -9.937 11.045 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.797 -11.785 10.222 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.295 -11.921 11.292 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.245 -12.267 12.723 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.908 -14.314 11.961 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.080 -13.767 10.305 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.636 -13.827 9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.408 -14.266 11.675 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.158 -16.176 10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.782 -15.127 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.164 -16.719 10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.352 -18.213 9.866 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.612 -18.458 9.684 1.00 0.00 H new