USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 62 ASN : amide:sc= -0.059 K(o=-1.1,f=0.43) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= -1.05 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.457 K(o=0.6,f=-2.4!) USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0.101 USER MOD Set 2.3: A 104 ASN : amide:sc= 0.953 K(o=0.6,f=-3.1) USER MOD Set 3.1: A 42 ASN : amide:sc= 0.683 K(o=1.5,f=-2.1) USER MOD Set 3.2: A 48 SER OG : rot 130:sc= 0.788 USER MOD Set 4.1: A 36 ASN : amide:sc= -2.05! C(o=-0.9!,f=-3.1!) USER MOD Set 4.2: A 93 ASN : amide:sc= 1.14 K(o=-0.9,f=-3.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 15 SER OG : rot 78:sc= -0.343 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.9!) USER MOD Single : A 25 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 28 ASN : amide:sc= 0.194 K(o=0.19,f=-4.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.162 USER MOD Single : A 41 THR OG1 : rot 150:sc= -0.414 USER MOD Single : A 43 ASN : amide:sc= 0.134 K(o=0.13,f=-1.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.147 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 0.544 (180deg=-0.00345) USER MOD Single : A 71 SER OG : rot 144:sc= 1.44 USER MOD Single : A 75 GLN : amide:sc= -0.943 K(o=-0.94,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 85 THR OG1 : rot -98:sc= 1.17 USER MOD Single : A 92 LYS NZ :NH3+ -167:sc= 2.15 (180deg=1.74) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 103 THR OG1 : rot -75:sc= 0.52 USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 12 8.986 2.599 3.336 1.00 0.00 N ATOM 157 CA LEU A 12 8.850 1.772 2.139 1.00 0.00 C ATOM 158 C LEU A 12 10.170 1.691 1.381 1.00 0.00 C ATOM 159 O LEU A 12 10.244 2.098 0.218 1.00 0.00 O ATOM 160 CB LEU A 12 7.775 2.355 1.218 1.00 0.00 C ATOM 161 CG LEU A 12 6.358 1.824 1.430 1.00 0.00 C ATOM 162 CD1 LEU A 12 5.781 2.338 2.740 1.00 0.00 C ATOM 163 CD2 LEU A 12 5.475 2.227 0.261 1.00 0.00 C ATOM 0 HA LEU A 12 8.562 0.769 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.760 3.437 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.064 2.162 0.185 1.00 0.00 H new ATOM 0 HG LEU A 12 6.396 0.736 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.772 1.948 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.408 2.008 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.749 3.427 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.466 1.845 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.444 3.314 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.880 1.811 -0.661 1.00 0.00 H new ATOM 175 N ALA A 13 11.211 1.190 2.058 1.00 0.00 N ATOM 176 CA ALA A 13 12.570 1.094 1.499 1.00 0.00 C ATOM 177 C ALA A 13 13.203 2.479 1.317 1.00 0.00 C ATOM 178 O ALA A 13 14.416 2.639 1.449 1.00 0.00 O ATOM 179 CB ALA A 13 12.575 0.319 0.183 1.00 0.00 C ATOM 0 H ALA A 13 11.136 0.838 3.012 1.00 0.00 H new ATOM 0 HA ALA A 13 13.176 0.543 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.593 0.266 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.198 -0.690 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.938 0.827 -0.541 1.00 0.00 H new ATOM 185 N THR A 14 12.374 3.462 1.001 1.00 0.00 N ATOM 186 CA THR A 14 12.811 4.837 0.833 1.00 0.00 C ATOM 187 C THR A 14 11.657 5.792 1.122 1.00 0.00 C ATOM 188 O THR A 14 11.792 6.717 1.926 1.00 0.00 O ATOM 189 CB THR A 14 13.328 5.089 -0.595 1.00 0.00 C ATOM 190 OG1 THR A 14 13.269 3.878 -1.357 1.00 0.00 O ATOM 191 CG2 THR A 14 14.755 5.609 -0.568 1.00 0.00 C ATOM 0 H THR A 14 11.374 3.326 0.853 1.00 0.00 H new ATOM 0 HA THR A 14 13.625 5.014 1.536 1.00 0.00 H new ATOM 0 HB THR A 14 12.693 5.842 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.598 4.046 -2.265 1.00 0.00 H new ATOM 0 HG21 THR A 14 15.099 5.780 -1.588 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.791 6.545 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.401 4.875 -0.085 1.00 0.00 H new ATOM 199 N SER A 15 10.516 5.537 0.469 1.00 0.00 N ATOM 200 CA SER A 15 9.326 6.381 0.589 1.00 0.00 C ATOM 201 C SER A 15 9.575 7.758 -0.017 1.00 0.00 C ATOM 202 O SER A 15 9.143 8.006 -1.140 1.00 0.00 O ATOM 203 CB SER A 15 8.877 6.493 2.054 1.00 0.00 C ATOM 204 OG SER A 15 8.259 5.293 2.495 1.00 0.00 O ATOM 0 H SER A 15 10.394 4.740 -0.156 1.00 0.00 H new ATOM 0 HA SER A 15 8.518 5.909 0.029 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.738 6.715 2.685 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.180 7.325 2.161 1.00 0.00 H new ATOM 0 HG SER A 15 8.947 4.621 2.684 1.00 0.00 H new ATOM 210 N ALA A 16 10.283 8.629 0.715 1.00 0.00 N ATOM 211 CA ALA A 16 10.547 10.008 0.286 1.00 0.00 C ATOM 212 C ALA A 16 9.251 10.718 -0.099 1.00 0.00 C ATOM 213 O ALA A 16 8.613 11.366 0.729 1.00 0.00 O ATOM 214 CB ALA A 16 11.543 10.029 -0.869 1.00 0.00 C ATOM 0 H ALA A 16 10.689 8.397 1.622 1.00 0.00 H new ATOM 0 HA ALA A 16 10.986 10.547 1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.726 11.060 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.480 9.573 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.136 9.469 -1.711 1.00 0.00 H new ATOM 220 N ALA A 17 8.861 10.576 -1.356 1.00 0.00 N ATOM 221 CA ALA A 17 7.588 11.088 -1.831 1.00 0.00 C ATOM 222 C ALA A 17 6.433 10.450 -1.066 1.00 0.00 C ATOM 223 O ALA A 17 5.456 11.116 -0.727 1.00 0.00 O ATOM 224 CB ALA A 17 7.448 10.817 -3.313 1.00 0.00 C ATOM 0 H ALA A 17 9.415 10.105 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 17 7.557 12.164 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.491 11.203 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.258 11.310 -3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.494 9.743 -3.492 1.00 0.00 H new ATOM 230 N PHE A 18 6.560 9.155 -0.780 1.00 0.00 N ATOM 231 CA PHE A 18 5.547 8.438 -0.014 1.00 0.00 C ATOM 232 C PHE A 18 5.546 8.922 1.434 1.00 0.00 C ATOM 233 O PHE A 18 4.534 8.844 2.126 1.00 0.00 O ATOM 234 CB PHE A 18 5.786 6.923 -0.059 1.00 0.00 C ATOM 235 CG PHE A 18 4.571 6.119 0.311 1.00 0.00 C ATOM 236 CD1 PHE A 18 3.490 6.038 -0.551 1.00 0.00 C ATOM 237 CD2 PHE A 18 4.501 5.455 1.529 1.00 0.00 C ATOM 238 CE1 PHE A 18 2.369 5.303 -0.213 1.00 0.00 C ATOM 239 CE2 PHE A 18 3.382 4.721 1.872 1.00 0.00 C ATOM 240 CZ PHE A 18 2.313 4.650 1.002 1.00 0.00 C ATOM 0 H PHE A 18 7.354 8.583 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 18 4.576 8.642 -0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.107 6.642 -1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.601 6.670 0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.523 6.555 -1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.332 5.513 2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.537 5.240 -0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.344 4.204 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.433 4.084 1.271 1.00 0.00 H new ATOM 250 N ALA A 19 6.684 9.429 1.881 1.00 0.00 N ATOM 251 CA ALA A 19 6.786 10.011 3.211 1.00 0.00 C ATOM 252 C ALA A 19 6.065 11.351 3.248 1.00 0.00 C ATOM 253 O ALA A 19 5.371 11.667 4.213 1.00 0.00 O ATOM 254 CB ALA A 19 8.238 10.173 3.622 1.00 0.00 C ATOM 0 H ALA A 19 7.550 9.450 1.343 1.00 0.00 H new ATOM 0 HA ALA A 19 6.311 9.336 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.287 10.610 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.725 9.198 3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.746 10.828 2.914 1.00 0.00 H new ATOM 260 N LYS A 20 6.217 12.126 2.177 1.00 0.00 N ATOM 261 CA LYS A 20 5.482 13.378 2.026 1.00 0.00 C ATOM 262 C LYS A 20 3.988 13.080 1.965 1.00 0.00 C ATOM 263 O LYS A 20 3.164 13.838 2.475 1.00 0.00 O ATOM 264 CB LYS A 20 5.928 14.116 0.759 1.00 0.00 C ATOM 265 CG LYS A 20 7.246 14.864 0.913 1.00 0.00 C ATOM 266 CD LYS A 20 8.244 14.461 -0.161 1.00 0.00 C ATOM 267 CE LYS A 20 9.175 15.610 -0.523 1.00 0.00 C ATOM 268 NZ LYS A 20 9.257 15.822 -1.993 1.00 0.00 N ATOM 0 H LYS A 20 6.843 11.909 1.401 1.00 0.00 H new ATOM 0 HA LYS A 20 5.690 14.019 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.022 13.397 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.151 14.824 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.065 15.937 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.668 14.661 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.832 13.612 0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.708 14.132 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.825 16.524 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.171 15.406 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.901 16.613 -2.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.616 14.959 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.311 16.042 -2.365 1.00 0.00 H new ATOM 282 N GLN A 21 3.659 11.956 1.338 1.00 0.00 N ATOM 283 CA GLN A 21 2.291 11.459 1.292 1.00 0.00 C ATOM 284 C GLN A 21 1.788 11.167 2.704 1.00 0.00 C ATOM 285 O GLN A 21 0.696 11.580 3.083 1.00 0.00 O ATOM 286 CB GLN A 21 2.236 10.185 0.444 1.00 0.00 C ATOM 287 CG GLN A 21 1.256 10.251 -0.710 1.00 0.00 C ATOM 288 CD GLN A 21 1.130 8.922 -1.431 1.00 0.00 C ATOM 289 OE1 GLN A 21 2.015 8.527 -2.193 1.00 0.00 O ATOM 290 NE2 GLN A 21 0.035 8.220 -1.196 1.00 0.00 N ATOM 0 H GLN A 21 4.332 11.366 0.849 1.00 0.00 H new ATOM 0 HA GLN A 21 1.651 12.219 0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.231 9.981 0.050 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.969 9.346 1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.278 10.554 -0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.579 11.016 -1.416 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.675 8.581 -0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.100 7.318 -1.652 1.00 0.00 H new ATOM 299 N ALA A 22 2.614 10.477 3.487 1.00 0.00 N ATOM 300 CA ALA A 22 2.249 10.075 4.844 1.00 0.00 C ATOM 301 C ALA A 22 2.151 11.275 5.782 1.00 0.00 C ATOM 302 O ALA A 22 1.552 11.189 6.851 1.00 0.00 O ATOM 303 CB ALA A 22 3.258 9.071 5.379 1.00 0.00 C ATOM 0 H ALA A 22 3.548 10.182 3.202 1.00 0.00 H new ATOM 0 HA ALA A 22 1.264 9.610 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.978 8.777 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.271 8.191 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.249 9.524 5.394 1.00 0.00 H new ATOM 309 N GLU A 23 2.747 12.388 5.381 1.00 0.00 N ATOM 310 CA GLU A 23 2.701 13.604 6.177 1.00 0.00 C ATOM 311 C GLU A 23 1.535 14.490 5.749 1.00 0.00 C ATOM 312 O GLU A 23 0.930 15.176 6.573 1.00 0.00 O ATOM 313 CB GLU A 23 4.020 14.372 6.060 1.00 0.00 C ATOM 314 CG GLU A 23 4.513 14.925 7.386 1.00 0.00 C ATOM 315 CD GLU A 23 6.004 14.733 7.589 1.00 0.00 C ATOM 316 OE1 GLU A 23 6.438 13.589 7.836 1.00 0.00 O ATOM 317 OE2 GLU A 23 6.750 15.731 7.514 1.00 0.00 O ATOM 0 H GLU A 23 3.268 12.474 4.508 1.00 0.00 H new ATOM 0 HA GLU A 23 2.552 13.320 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.781 13.712 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.892 15.194 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.278 15.988 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.975 14.438 8.199 1.00 0.00 H new ATOM 324 N GLY A 24 1.224 14.469 4.455 1.00 0.00 N ATOM 325 CA GLY A 24 0.125 15.265 3.941 1.00 0.00 C ATOM 326 C GLY A 24 -1.222 14.605 4.173 1.00 0.00 C ATOM 327 O GLY A 24 -2.249 15.280 4.243 1.00 0.00 O ATOM 0 H GLY A 24 1.715 13.914 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.134 16.245 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.267 15.430 2.873 1.00 0.00 H new ATOM 331 N THR A 25 -1.216 13.288 4.312 1.00 0.00 N ATOM 332 CA THR A 25 -2.444 12.543 4.539 1.00 0.00 C ATOM 333 C THR A 25 -2.491 12.024 5.967 1.00 0.00 C ATOM 334 O THR A 25 -1.510 11.479 6.472 1.00 0.00 O ATOM 335 CB THR A 25 -2.577 11.361 3.562 1.00 0.00 C ATOM 336 OG1 THR A 25 -1.824 11.623 2.368 1.00 0.00 O ATOM 337 CG2 THR A 25 -4.032 11.119 3.202 1.00 0.00 C ATOM 0 H THR A 25 -0.374 12.713 4.272 1.00 0.00 H new ATOM 0 HA THR A 25 -3.276 13.226 4.369 1.00 0.00 H new ATOM 0 HB THR A 25 -2.185 10.469 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.876 11.433 2.531 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.101 10.279 2.511 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.598 10.892 4.106 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.444 12.012 2.731 1.00 0.00 H new ATOM 345 N THR A 26 -3.627 12.204 6.622 1.00 0.00 N ATOM 346 CA THR A 26 -3.775 11.788 8.003 1.00 0.00 C ATOM 347 C THR A 26 -3.979 10.278 8.111 1.00 0.00 C ATOM 348 O THR A 26 -5.093 9.777 7.979 1.00 0.00 O ATOM 349 CB THR A 26 -4.950 12.528 8.655 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.159 13.768 7.968 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.674 12.794 10.126 1.00 0.00 C ATOM 0 H THR A 26 -4.458 12.635 6.218 1.00 0.00 H new ATOM 0 HA THR A 26 -2.855 12.041 8.530 1.00 0.00 H new ATOM 0 HB THR A 26 -5.843 11.907 8.585 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.910 14.246 8.378 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.522 13.320 10.566 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.525 11.847 10.645 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.777 13.406 10.223 1.00 0.00 H new ATOM 359 N CYS A 27 -2.885 9.576 8.367 1.00 0.00 N ATOM 360 CA CYS A 27 -2.900 8.132 8.534 1.00 0.00 C ATOM 361 C CYS A 27 -1.920 7.748 9.639 1.00 0.00 C ATOM 362 O CYS A 27 -1.305 8.624 10.251 1.00 0.00 O ATOM 363 CB CYS A 27 -2.521 7.437 7.222 1.00 0.00 C ATOM 364 SG CYS A 27 -3.905 7.193 6.061 1.00 0.00 S ATOM 0 H CYS A 27 -1.960 9.994 8.465 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.904 7.810 8.810 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.748 8.024 6.726 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.084 6.466 7.454 1.00 0.00 H new ATOM 369 N ASN A 28 -1.771 6.456 9.896 1.00 0.00 N ATOM 370 CA ASN A 28 -0.869 5.998 10.947 1.00 0.00 C ATOM 371 C ASN A 28 0.250 5.156 10.352 1.00 0.00 C ATOM 372 O ASN A 28 0.097 4.592 9.272 1.00 0.00 O ATOM 373 CB ASN A 28 -1.626 5.205 12.017 1.00 0.00 C ATOM 374 CG ASN A 28 -1.091 5.474 13.411 1.00 0.00 C ATOM 375 OD1 ASN A 28 0.072 5.849 13.581 1.00 0.00 O ATOM 376 ND2 ASN A 28 -1.934 5.306 14.417 1.00 0.00 N ATOM 0 H ASN A 28 -2.258 5.711 9.397 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.432 6.875 11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.684 5.464 11.979 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.551 4.140 11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.630 5.488 15.373 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.888 4.995 14.236 1.00 0.00 H new ATOM 383 N VAL A 29 1.362 5.063 11.066 1.00 0.00 N ATOM 384 CA VAL A 29 2.560 4.403 10.551 1.00 0.00 C ATOM 385 C VAL A 29 2.363 2.891 10.401 1.00 0.00 C ATOM 386 O VAL A 29 2.656 2.320 9.350 1.00 0.00 O ATOM 387 CB VAL A 29 3.786 4.669 11.450 1.00 0.00 C ATOM 388 CG1 VAL A 29 4.508 5.929 11.000 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.385 4.772 12.919 1.00 0.00 C ATOM 0 H VAL A 29 1.463 5.438 12.009 1.00 0.00 H new ATOM 0 HA VAL A 29 2.741 4.831 9.565 1.00 0.00 H new ATOM 0 HB VAL A 29 4.466 3.823 11.352 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.370 6.104 11.643 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.843 5.808 9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.829 6.780 11.064 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.271 4.960 13.526 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.678 5.592 13.046 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.920 3.839 13.235 1.00 0.00 H new ATOM 399 N GLY A 30 1.842 2.254 11.443 1.00 0.00 N ATOM 400 CA GLY A 30 1.650 0.814 11.418 1.00 0.00 C ATOM 401 C GLY A 30 0.359 0.431 10.729 1.00 0.00 C ATOM 402 O GLY A 30 -0.071 -0.721 10.769 1.00 0.00 O ATOM 0 H GLY A 30 1.548 2.709 12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.489 0.344 10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.645 0.430 12.438 1.00 0.00 H new ATOM 406 N SER A 31 -0.270 1.413 10.106 1.00 0.00 N ATOM 407 CA SER A 31 -1.500 1.196 9.370 1.00 0.00 C ATOM 408 C SER A 31 -1.484 2.002 8.078 1.00 0.00 C ATOM 409 O SER A 31 -2.524 2.442 7.589 1.00 0.00 O ATOM 410 CB SER A 31 -2.705 1.575 10.232 1.00 0.00 C ATOM 411 OG SER A 31 -2.569 1.050 11.541 1.00 0.00 O ATOM 0 H SER A 31 0.057 2.379 10.097 1.00 0.00 H new ATOM 0 HA SER A 31 -1.581 0.139 9.116 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.799 2.660 10.278 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.619 1.195 9.775 1.00 0.00 H new ATOM 0 HG SER A 31 -3.348 1.304 12.078 1.00 0.00 H new ATOM 417 N ILE A 32 -0.293 2.185 7.530 1.00 0.00 N ATOM 418 CA ILE A 32 -0.134 2.943 6.305 1.00 0.00 C ATOM 419 C ILE A 32 -0.233 2.002 5.112 1.00 0.00 C ATOM 420 O ILE A 32 0.419 0.951 5.072 1.00 0.00 O ATOM 421 CB ILE A 32 1.189 3.763 6.293 1.00 0.00 C ATOM 422 CG1 ILE A 32 0.962 5.108 5.604 1.00 0.00 C ATOM 423 CG2 ILE A 32 2.341 3.012 5.634 1.00 0.00 C ATOM 424 CD1 ILE A 32 1.000 6.284 6.557 1.00 0.00 C ATOM 0 H ILE A 32 0.577 1.818 7.917 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.939 3.675 6.241 1.00 0.00 H new ATOM 0 HB ILE A 32 1.477 3.928 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.722 5.247 4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.003 5.091 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.238 3.631 5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.528 2.085 6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.082 2.782 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.832 7.207 6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.222 6.167 7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.974 6.326 7.045 1.00 0.00 H new ATOM 436 N ALA A 33 -1.091 2.340 4.169 1.00 0.00 N ATOM 437 CA ALA A 33 -1.375 1.451 3.066 1.00 0.00 C ATOM 438 C ALA A 33 -1.717 2.221 1.807 1.00 0.00 C ATOM 439 O ALA A 33 -1.916 3.434 1.839 1.00 0.00 O ATOM 440 CB ALA A 33 -2.526 0.524 3.432 1.00 0.00 C ATOM 0 H ALA A 33 -1.601 3.223 4.147 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.478 0.863 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.735 -0.144 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.254 -0.065 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.414 1.116 3.654 1.00 0.00 H new ATOM 446 N CYS A 34 -1.771 1.505 0.700 1.00 0.00 N ATOM 447 CA CYS A 34 -2.241 2.066 -0.549 1.00 0.00 C ATOM 448 C CYS A 34 -3.363 1.198 -1.096 1.00 0.00 C ATOM 449 O CYS A 34 -3.312 -0.029 -0.990 1.00 0.00 O ATOM 450 CB CYS A 34 -1.103 2.164 -1.566 1.00 0.00 C ATOM 451 SG CYS A 34 -1.459 3.282 -2.962 1.00 0.00 S ATOM 0 H CYS A 34 -1.492 0.526 0.642 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.614 3.074 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.202 2.508 -1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.889 1.169 -1.955 1.00 0.00 H new ATOM 456 N CYS A 35 -4.382 1.833 -1.644 1.00 0.00 N ATOM 457 CA CYS A 35 -5.513 1.121 -2.210 1.00 0.00 C ATOM 458 C CYS A 35 -5.677 1.494 -3.674 1.00 0.00 C ATOM 459 O CYS A 35 -5.522 2.654 -4.052 1.00 0.00 O ATOM 460 CB CYS A 35 -6.793 1.448 -1.438 1.00 0.00 C ATOM 461 SG CYS A 35 -6.509 1.988 0.280 1.00 0.00 S ATOM 0 H CYS A 35 -4.450 2.849 -1.709 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.327 0.050 -2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.335 2.231 -1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.434 0.567 -1.429 1.00 0.00 H new ATOM 466 N ASN A 36 -5.975 0.518 -4.504 1.00 0.00 N ATOM 467 CA ASN A 36 -6.137 0.783 -5.921 1.00 0.00 C ATOM 468 C ASN A 36 -7.560 0.499 -6.362 1.00 0.00 C ATOM 469 O ASN A 36 -8.311 -0.189 -5.662 1.00 0.00 O ATOM 470 CB ASN A 36 -5.160 -0.050 -6.745 1.00 0.00 C ATOM 471 CG ASN A 36 -4.826 0.606 -8.070 1.00 0.00 C ATOM 472 OD1 ASN A 36 -4.272 1.699 -8.110 1.00 0.00 O ATOM 473 ND2 ASN A 36 -5.172 -0.051 -9.163 1.00 0.00 N ATOM 0 H ASN A 36 -6.109 -0.455 -4.229 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.922 1.838 -6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.243 -0.201 -6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.589 -1.035 -6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.980 0.349 -10.081 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.632 -0.959 -9.089 1.00 0.00 H new ATOM 480 N SER A 37 -7.929 1.077 -7.497 1.00 0.00 N ATOM 481 CA SER A 37 -9.197 0.793 -8.152 1.00 0.00 C ATOM 482 C SER A 37 -9.500 -0.711 -8.141 1.00 0.00 C ATOM 483 O SER A 37 -8.672 -1.527 -8.565 1.00 0.00 O ATOM 484 CB SER A 37 -9.135 1.322 -9.584 1.00 0.00 C ATOM 485 OG SER A 37 -7.999 2.164 -9.754 1.00 0.00 O ATOM 0 H SER A 37 -7.354 1.759 -7.991 1.00 0.00 H new ATOM 0 HA SER A 37 -10.003 1.288 -7.610 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.086 0.488 -10.284 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.045 1.877 -9.813 1.00 0.00 H new ATOM 0 HG SER A 37 -7.971 2.494 -10.676 1.00 0.00 H new ATOM 491 N PRO A 38 -10.695 -1.088 -7.647 1.00 0.00 N ATOM 492 CA PRO A 38 -11.078 -2.485 -7.406 1.00 0.00 C ATOM 493 C PRO A 38 -10.824 -3.416 -8.588 1.00 0.00 C ATOM 494 O PRO A 38 -10.391 -4.548 -8.395 1.00 0.00 O ATOM 495 CB PRO A 38 -12.586 -2.412 -7.109 1.00 0.00 C ATOM 496 CG PRO A 38 -13.005 -1.019 -7.446 1.00 0.00 C ATOM 497 CD PRO A 38 -11.780 -0.169 -7.283 1.00 0.00 C ATOM 0 HA PRO A 38 -10.479 -2.906 -6.598 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.137 -3.140 -7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.789 -2.638 -6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.387 -0.962 -8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.805 -0.682 -6.787 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.805 0.705 -7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.675 0.197 -6.262 1.00 0.00 H new ATOM 505 N ALA A 39 -11.067 -2.942 -9.802 1.00 0.00 N ATOM 506 CA ALA A 39 -10.941 -3.788 -10.985 1.00 0.00 C ATOM 507 C ALA A 39 -9.496 -4.219 -11.218 1.00 0.00 C ATOM 508 O ALA A 39 -9.239 -5.256 -11.831 1.00 0.00 O ATOM 509 CB ALA A 39 -11.490 -3.071 -12.210 1.00 0.00 C ATOM 0 H ALA A 39 -11.351 -1.982 -9.995 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.528 -4.690 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.389 -3.715 -13.084 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.543 -2.835 -12.052 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.932 -2.149 -12.372 1.00 0.00 H new ATOM 515 N GLU A 40 -8.558 -3.438 -10.699 1.00 0.00 N ATOM 516 CA GLU A 40 -7.141 -3.721 -10.881 1.00 0.00 C ATOM 517 C GLU A 40 -6.595 -4.474 -9.677 1.00 0.00 C ATOM 518 O GLU A 40 -5.822 -5.419 -9.818 1.00 0.00 O ATOM 519 CB GLU A 40 -6.358 -2.426 -11.093 1.00 0.00 C ATOM 520 CG GLU A 40 -6.745 -1.687 -12.362 1.00 0.00 C ATOM 521 CD GLU A 40 -6.838 -2.602 -13.565 1.00 0.00 C ATOM 522 OE1 GLU A 40 -5.831 -3.256 -13.905 1.00 0.00 O ATOM 523 OE2 GLU A 40 -7.919 -2.671 -14.180 1.00 0.00 O ATOM 0 H GLU A 40 -8.753 -2.602 -10.148 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.025 -4.344 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.517 -1.770 -10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.293 -2.656 -11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.705 -1.193 -12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.012 -0.906 -12.561 1.00 0.00 H new ATOM 530 N THR A 41 -7.006 -4.053 -8.493 1.00 0.00 N ATOM 531 CA THR A 41 -6.638 -4.742 -7.267 1.00 0.00 C ATOM 532 C THR A 41 -7.190 -6.164 -7.268 1.00 0.00 C ATOM 533 O THR A 41 -6.570 -7.094 -6.752 1.00 0.00 O ATOM 534 CB THR A 41 -7.176 -3.980 -6.044 1.00 0.00 C ATOM 535 OG1 THR A 41 -7.071 -2.573 -6.283 1.00 0.00 O ATOM 536 CG2 THR A 41 -6.406 -4.347 -4.786 1.00 0.00 C ATOM 0 H THR A 41 -7.597 -3.234 -8.354 1.00 0.00 H new ATOM 0 HA THR A 41 -5.550 -4.784 -7.212 1.00 0.00 H new ATOM 0 HB THR A 41 -8.219 -4.256 -5.893 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.786 -2.105 -5.802 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.809 -3.793 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.503 -5.417 -4.599 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.354 -4.095 -4.917 1.00 0.00 H new ATOM 544 N ASN A 42 -8.354 -6.324 -7.875 1.00 0.00 N ATOM 545 CA ASN A 42 -9.003 -7.619 -7.962 1.00 0.00 C ATOM 546 C ASN A 42 -8.850 -8.198 -9.358 1.00 0.00 C ATOM 547 O ASN A 42 -9.595 -9.094 -9.750 1.00 0.00 O ATOM 548 CB ASN A 42 -10.479 -7.504 -7.602 1.00 0.00 C ATOM 549 CG ASN A 42 -10.790 -8.135 -6.262 1.00 0.00 C ATOM 550 OD1 ASN A 42 -11.391 -9.205 -6.185 1.00 0.00 O ATOM 551 ND2 ASN A 42 -10.371 -7.478 -5.193 1.00 0.00 N ATOM 0 H ASN A 42 -8.872 -5.565 -8.318 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.522 -8.290 -7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.766 -6.453 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.079 -7.983 -8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.543 -7.857 -4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.876 -6.593 -5.300 1.00 0.00 H new ATOM 558 N ASN A 43 -7.917 -7.633 -10.121 1.00 0.00 N ATOM 559 CA ASN A 43 -7.648 -8.091 -11.488 1.00 0.00 C ATOM 560 C ASN A 43 -7.391 -9.592 -11.499 1.00 0.00 C ATOM 561 O ASN A 43 -7.963 -10.328 -12.301 1.00 0.00 O ATOM 562 CB ASN A 43 -6.433 -7.360 -12.068 1.00 0.00 C ATOM 563 CG ASN A 43 -6.385 -7.403 -13.585 1.00 0.00 C ATOM 564 OD1 ASN A 43 -6.585 -8.449 -14.201 1.00 0.00 O ATOM 565 ND2 ASN A 43 -6.094 -6.268 -14.207 1.00 0.00 N ATOM 0 H ASN A 43 -7.331 -6.855 -9.817 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.522 -7.871 -12.101 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.450 -6.321 -11.740 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.522 -7.806 -11.668 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.031 -6.246 -15.225 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.934 -5.417 -13.667 1.00 0.00 H new ATOM 572 N ASP A 44 -6.527 -10.034 -10.601 1.00 0.00 N ATOM 573 CA ASP A 44 -6.263 -11.454 -10.436 1.00 0.00 C ATOM 574 C ASP A 44 -7.142 -12.019 -9.328 1.00 0.00 C ATOM 575 O ASP A 44 -7.282 -11.404 -8.268 1.00 0.00 O ATOM 576 CB ASP A 44 -4.788 -11.684 -10.100 1.00 0.00 C ATOM 577 CG ASP A 44 -4.347 -13.108 -10.376 1.00 0.00 C ATOM 578 OD1 ASP A 44 -4.868 -14.032 -9.720 1.00 0.00 O ATOM 579 OD2 ASP A 44 -3.478 -13.305 -11.249 1.00 0.00 O ATOM 0 H ASP A 44 -5.996 -9.430 -9.974 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.493 -11.965 -11.371 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.174 -10.997 -10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.617 -11.451 -9.049 1.00 0.00 H new ATOM 584 N SER A 45 -7.731 -13.186 -9.559 1.00 0.00 N ATOM 585 CA SER A 45 -8.588 -13.808 -8.562 1.00 0.00 C ATOM 586 C SER A 45 -7.772 -14.220 -7.337 1.00 0.00 C ATOM 587 O SER A 45 -8.286 -14.273 -6.218 1.00 0.00 O ATOM 588 CB SER A 45 -9.302 -15.018 -9.159 1.00 0.00 C ATOM 589 OG SER A 45 -8.620 -15.505 -10.304 1.00 0.00 O ATOM 0 H SER A 45 -7.631 -13.717 -10.424 1.00 0.00 H new ATOM 0 HA SER A 45 -9.338 -13.082 -8.247 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.371 -15.808 -8.411 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.322 -14.744 -9.429 1.00 0.00 H new ATOM 0 HG SER A 45 -9.098 -16.281 -10.664 1.00 0.00 H new ATOM 595 N LEU A 46 -6.494 -14.491 -7.558 1.00 0.00 N ATOM 596 CA LEU A 46 -5.594 -14.854 -6.479 1.00 0.00 C ATOM 597 C LEU A 46 -5.056 -13.604 -5.799 1.00 0.00 C ATOM 598 O LEU A 46 -4.709 -13.634 -4.622 1.00 0.00 O ATOM 599 CB LEU A 46 -4.438 -15.703 -7.008 1.00 0.00 C ATOM 600 CG LEU A 46 -4.530 -17.192 -6.664 1.00 0.00 C ATOM 601 CD1 LEU A 46 -5.208 -17.968 -7.786 1.00 0.00 C ATOM 602 CD2 LEU A 46 -3.147 -17.762 -6.368 1.00 0.00 C ATOM 0 H LEU A 46 -6.058 -14.465 -8.480 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.151 -15.441 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.393 -15.596 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.503 -15.309 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.140 -17.297 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.261 -19.023 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.215 -17.581 -7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.633 -17.856 -8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.234 -18.821 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.509 -17.641 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.708 -17.232 -5.523 1.00 0.00 H new ATOM 614 N LEU A 47 -5.005 -12.501 -6.543 1.00 0.00 N ATOM 615 CA LEU A 47 -4.541 -11.228 -5.997 1.00 0.00 C ATOM 616 C LEU A 47 -5.426 -10.797 -4.832 1.00 0.00 C ATOM 617 O LEU A 47 -4.942 -10.263 -3.838 1.00 0.00 O ATOM 618 CB LEU A 47 -4.540 -10.142 -7.082 1.00 0.00 C ATOM 619 CG LEU A 47 -3.272 -9.286 -7.166 1.00 0.00 C ATOM 620 CD1 LEU A 47 -3.128 -8.405 -5.935 1.00 0.00 C ATOM 621 CD2 LEU A 47 -2.048 -10.167 -7.340 1.00 0.00 C ATOM 0 H LEU A 47 -5.279 -12.463 -7.525 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.521 -11.363 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.698 -10.620 -8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.391 -9.482 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.357 -8.636 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.220 -7.808 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.991 -7.744 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.069 -9.031 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.156 -9.543 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.963 -10.844 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.145 -10.747 -8.257 1.00 0.00 H new ATOM 633 N SER A 48 -6.719 -11.067 -4.958 1.00 0.00 N ATOM 634 CA SER A 48 -7.687 -10.736 -3.922 1.00 0.00 C ATOM 635 C SER A 48 -7.325 -11.413 -2.590 1.00 0.00 C ATOM 636 O SER A 48 -7.538 -10.850 -1.517 1.00 0.00 O ATOM 637 CB SER A 48 -9.082 -11.163 -4.380 1.00 0.00 C ATOM 638 OG SER A 48 -10.077 -10.252 -3.946 1.00 0.00 O ATOM 0 H SER A 48 -7.124 -11.519 -5.777 1.00 0.00 H new ATOM 0 HA SER A 48 -7.673 -9.659 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.102 -11.234 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.304 -12.157 -3.992 1.00 0.00 H new ATOM 0 HG SER A 48 -10.644 -10.001 -4.705 1.00 0.00 H new ATOM 644 N GLY A 49 -6.758 -12.613 -2.669 1.00 0.00 N ATOM 645 CA GLY A 49 -6.344 -13.320 -1.469 1.00 0.00 C ATOM 646 C GLY A 49 -4.885 -13.072 -1.135 1.00 0.00 C ATOM 647 O GLY A 49 -4.425 -13.372 -0.031 1.00 0.00 O ATOM 0 H GLY A 49 -6.578 -13.109 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.966 -13.006 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.508 -14.389 -1.604 1.00 0.00 H new ATOM 651 N LEU A 50 -4.166 -12.499 -2.093 1.00 0.00 N ATOM 652 CA LEU A 50 -2.741 -12.226 -1.949 1.00 0.00 C ATOM 653 C LEU A 50 -2.514 -10.999 -1.072 1.00 0.00 C ATOM 654 O LEU A 50 -1.536 -10.923 -0.328 1.00 0.00 O ATOM 655 CB LEU A 50 -2.116 -12.013 -3.334 1.00 0.00 C ATOM 656 CG LEU A 50 -0.972 -12.962 -3.687 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.509 -14.307 -4.149 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.081 -12.345 -4.754 1.00 0.00 C ATOM 0 H LEU A 50 -4.554 -12.211 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.265 -13.080 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.897 -12.116 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.748 -10.989 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.374 -13.126 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.676 -14.966 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.103 -14.755 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.133 -14.166 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.729 -13.034 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.669 -12.150 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.336 -11.409 -4.383 1.00 0.00 H new ATOM 670 N LEU A 51 -3.422 -10.038 -1.165 1.00 0.00 N ATOM 671 CA LEU A 51 -3.327 -8.823 -0.365 1.00 0.00 C ATOM 672 C LEU A 51 -3.680 -9.106 1.091 1.00 0.00 C ATOM 673 O LEU A 51 -3.167 -8.461 2.009 1.00 0.00 O ATOM 674 CB LEU A 51 -4.242 -7.729 -0.924 1.00 0.00 C ATOM 675 CG LEU A 51 -5.632 -8.192 -1.361 1.00 0.00 C ATOM 676 CD1 LEU A 51 -6.665 -7.867 -0.294 1.00 0.00 C ATOM 677 CD2 LEU A 51 -6.015 -7.552 -2.689 1.00 0.00 C ATOM 0 H LEU A 51 -4.231 -10.075 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.296 -8.472 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.358 -6.954 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.747 -7.267 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.607 -9.273 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.648 -8.204 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.401 -8.373 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.689 -6.790 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.007 -7.893 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.021 -6.467 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.291 -7.837 -3.452 1.00 0.00 H new ATOM 689 N GLY A 52 -4.551 -10.081 1.296 1.00 0.00 N ATOM 690 CA GLY A 52 -5.006 -10.405 2.626 1.00 0.00 C ATOM 691 C GLY A 52 -4.155 -11.468 3.284 1.00 0.00 C ATOM 692 O GLY A 52 -4.657 -12.527 3.653 1.00 0.00 O ATOM 0 H GLY A 52 -4.953 -10.657 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.996 -9.504 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.040 -10.748 2.580 1.00 0.00 H new ATOM 696 N ALA A 53 -2.865 -11.177 3.452 1.00 0.00 N ATOM 697 CA ALA A 53 -1.933 -12.133 4.047 1.00 0.00 C ATOM 698 C ALA A 53 -2.308 -12.435 5.493 1.00 0.00 C ATOM 699 O ALA A 53 -1.985 -13.496 6.020 1.00 0.00 O ATOM 700 CB ALA A 53 -0.503 -11.611 3.973 1.00 0.00 C ATOM 0 H ALA A 53 -2.443 -10.288 3.185 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.996 -13.059 3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.174 -12.338 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.227 -11.453 2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.432 -10.667 4.514 1.00 0.00 H new ATOM 706 N GLY A 54 -3.002 -11.495 6.119 1.00 0.00 N ATOM 707 CA GLY A 54 -3.402 -11.667 7.500 1.00 0.00 C ATOM 708 C GLY A 54 -4.907 -11.675 7.672 1.00 0.00 C ATOM 709 O GLY A 54 -5.408 -11.398 8.760 1.00 0.00 O ATOM 0 H GLY A 54 -3.295 -10.615 5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.991 -12.602 7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.975 -10.864 8.101 1.00 0.00 H new ATOM 713 N LEU A 55 -5.615 -11.998 6.588 1.00 0.00 N ATOM 714 CA LEU A 55 -7.080 -12.061 6.591 1.00 0.00 C ATOM 715 C LEU A 55 -7.677 -10.674 6.807 1.00 0.00 C ATOM 716 O LEU A 55 -8.621 -10.501 7.572 1.00 0.00 O ATOM 717 CB LEU A 55 -7.579 -13.037 7.669 1.00 0.00 C ATOM 718 CG LEU A 55 -9.074 -13.377 7.627 1.00 0.00 C ATOM 719 CD1 LEU A 55 -9.387 -14.271 6.441 1.00 0.00 C ATOM 720 CD2 LEU A 55 -9.497 -14.045 8.932 1.00 0.00 C ATOM 0 H LEU A 55 -5.193 -12.222 5.687 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.408 -12.428 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.013 -13.964 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.350 -12.615 8.647 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.639 -12.452 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.453 -14.500 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.116 -13.759 5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.817 -15.197 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.560 -14.282 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.926 -14.963 9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.308 -13.368 9.765 1.00 0.00 H new ATOM 732 N LEU A 56 -7.127 -9.686 6.113 1.00 0.00 N ATOM 733 CA LEU A 56 -7.573 -8.307 6.268 1.00 0.00 C ATOM 734 C LEU A 56 -8.764 -8.009 5.359 1.00 0.00 C ATOM 735 O LEU A 56 -9.197 -8.867 4.588 1.00 0.00 O ATOM 736 CB LEU A 56 -6.428 -7.333 5.975 1.00 0.00 C ATOM 737 CG LEU A 56 -5.485 -7.740 4.842 1.00 0.00 C ATOM 738 CD1 LEU A 56 -5.418 -6.643 3.791 1.00 0.00 C ATOM 739 CD2 LEU A 56 -4.096 -8.043 5.392 1.00 0.00 C ATOM 0 H LEU A 56 -6.373 -9.813 5.438 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.890 -8.174 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.856 -6.360 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.841 -7.207 6.885 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.873 -8.644 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.743 -6.947 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.413 -6.471 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.050 -5.724 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.436 -8.331 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.698 -7.156 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.160 -8.859 6.112 1.00 0.00 H new ATOM 751 N ASN A 57 -9.277 -6.787 5.444 1.00 0.00 N ATOM 752 CA ASN A 57 -10.463 -6.390 4.703 1.00 0.00 C ATOM 753 C ASN A 57 -10.152 -5.225 3.770 1.00 0.00 C ATOM 754 O ASN A 57 -9.001 -4.802 3.649 1.00 0.00 O ATOM 755 CB ASN A 57 -11.597 -6.020 5.660 1.00 0.00 C ATOM 756 CG ASN A 57 -12.967 -6.360 5.100 1.00 0.00 C ATOM 757 OD1 ASN A 57 -13.090 -6.982 4.046 1.00 0.00 O ATOM 758 ND2 ASN A 57 -14.008 -5.933 5.790 1.00 0.00 N ATOM 0 H ASN A 57 -8.883 -6.048 6.026 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.785 -7.237 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.455 -6.543 6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.551 -4.953 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.953 -6.116 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.867 -5.420 6.660 1.00 0.00 H new ATOM 765 N GLY A 58 -11.183 -4.729 3.104 1.00 0.00 N ATOM 766 CA GLY A 58 -11.002 -3.694 2.102 1.00 0.00 C ATOM 767 C GLY A 58 -11.353 -2.317 2.628 1.00 0.00 C ATOM 768 O GLY A 58 -11.294 -2.078 3.827 1.00 0.00 O ATOM 0 H GLY A 58 -12.149 -5.026 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.966 -3.698 1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.623 -3.918 1.235 1.00 0.00 H new ATOM 772 N LEU A 59 -11.731 -1.412 1.733 1.00 0.00 N ATOM 773 CA LEU A 59 -12.087 -0.050 2.121 1.00 0.00 C ATOM 774 C LEU A 59 -13.363 -0.048 2.958 1.00 0.00 C ATOM 775 O LEU A 59 -14.297 -0.801 2.678 1.00 0.00 O ATOM 776 CB LEU A 59 -12.275 0.823 0.877 1.00 0.00 C ATOM 777 CG LEU A 59 -11.862 2.289 1.035 1.00 0.00 C ATOM 778 CD1 LEU A 59 -10.382 2.392 1.368 1.00 0.00 C ATOM 779 CD2 LEU A 59 -12.182 3.070 -0.231 1.00 0.00 C ATOM 0 H LEU A 59 -11.799 -1.596 0.732 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.275 0.360 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.702 0.388 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.325 0.788 0.585 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.429 2.722 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.106 3.441 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.181 1.865 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.796 1.944 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.882 4.110 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.640 2.638 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.253 3.023 -0.427 1.00 0.00 H new ATOM 791 N SER A 60 -13.389 0.796 3.985 1.00 0.00 N ATOM 792 CA SER A 60 -14.523 0.884 4.897 1.00 0.00 C ATOM 793 C SER A 60 -15.791 1.331 4.179 1.00 0.00 C ATOM 794 O SER A 60 -16.005 2.524 3.947 1.00 0.00 O ATOM 795 CB SER A 60 -14.192 1.841 6.044 1.00 0.00 C ATOM 796 OG SER A 60 -14.279 1.178 7.292 1.00 0.00 O ATOM 0 H SER A 60 -12.627 1.436 4.207 1.00 0.00 H new ATOM 0 HA SER A 60 -14.711 -0.111 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.188 2.243 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.879 2.687 6.028 1.00 0.00 H new ATOM 0 HG SER A 60 -14.062 1.806 8.012 1.00 0.00 H new ATOM 802 N GLY A 61 -16.624 0.360 3.822 1.00 0.00 N ATOM 803 CA GLY A 61 -17.869 0.653 3.140 1.00 0.00 C ATOM 804 C GLY A 61 -17.785 0.352 1.658 1.00 0.00 C ATOM 805 O GLY A 61 -18.794 0.359 0.953 1.00 0.00 O ATOM 0 H GLY A 61 -16.457 -0.631 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.673 0.067 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.123 1.703 3.283 1.00 0.00 H new ATOM 809 N ASN A 62 -16.576 0.087 1.181 1.00 0.00 N ATOM 810 CA ASN A 62 -16.357 -0.184 -0.231 1.00 0.00 C ATOM 811 C ASN A 62 -15.560 -1.466 -0.419 1.00 0.00 C ATOM 812 O ASN A 62 -14.324 -1.463 -0.381 1.00 0.00 O ATOM 813 CB ASN A 62 -15.644 0.997 -0.889 1.00 0.00 C ATOM 814 CG ASN A 62 -15.240 0.726 -2.329 1.00 0.00 C ATOM 815 OD1 ASN A 62 -15.923 0.016 -3.064 1.00 0.00 O ATOM 816 ND2 ASN A 62 -14.122 1.302 -2.742 1.00 0.00 N ATOM 0 H ASN A 62 -15.732 0.054 1.753 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.326 -0.318 -0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.297 1.869 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.755 1.245 -0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.801 1.163 -3.700 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.582 1.885 -2.102 1.00 0.00 H new ATOM 823 N THR A 63 -16.272 -2.562 -0.600 1.00 0.00 N ATOM 824 CA THR A 63 -15.652 -3.841 -0.861 1.00 0.00 C ATOM 825 C THR A 63 -15.134 -3.908 -2.300 1.00 0.00 C ATOM 826 O THR A 63 -15.872 -4.229 -3.233 1.00 0.00 O ATOM 827 CB THR A 63 -16.647 -4.989 -0.598 1.00 0.00 C ATOM 828 OG1 THR A 63 -17.211 -4.852 0.713 1.00 0.00 O ATOM 829 CG2 THR A 63 -15.965 -6.336 -0.716 1.00 0.00 C ATOM 0 H THR A 63 -17.291 -2.588 -0.570 1.00 0.00 H new ATOM 0 HA THR A 63 -14.805 -3.952 -0.184 1.00 0.00 H new ATOM 0 HB THR A 63 -17.437 -4.934 -1.347 1.00 0.00 H new ATOM 0 HG1 THR A 63 -17.844 -5.583 0.875 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.689 -7.128 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.557 -6.451 -1.720 1.00 0.00 H new ATOM 0 HG23 THR A 63 -15.157 -6.400 0.013 1.00 0.00 H new ATOM 837 N GLY A 64 -13.866 -3.571 -2.471 1.00 0.00 N ATOM 838 CA GLY A 64 -13.249 -3.622 -3.777 1.00 0.00 C ATOM 839 C GLY A 64 -11.852 -3.042 -3.750 1.00 0.00 C ATOM 840 O GLY A 64 -10.880 -3.717 -4.093 1.00 0.00 O ATOM 0 H GLY A 64 -13.249 -3.260 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.209 -4.655 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.860 -3.070 -4.492 1.00 0.00 H new ATOM 844 N SER A 65 -11.749 -1.787 -3.336 1.00 0.00 N ATOM 845 CA SER A 65 -10.461 -1.130 -3.203 1.00 0.00 C ATOM 846 C SER A 65 -9.783 -1.557 -1.904 1.00 0.00 C ATOM 847 O SER A 65 -9.901 -0.889 -0.880 1.00 0.00 O ATOM 848 CB SER A 65 -10.637 0.393 -3.250 1.00 0.00 C ATOM 849 OG SER A 65 -11.706 0.753 -4.116 1.00 0.00 O ATOM 0 H SER A 65 -12.547 -1.203 -3.086 1.00 0.00 H new ATOM 0 HA SER A 65 -9.824 -1.428 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.833 0.772 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.713 0.860 -3.592 1.00 0.00 H new ATOM 0 HG SER A 65 -11.802 1.728 -4.130 1.00 0.00 H new ATOM 855 N ALA A 66 -9.103 -2.694 -1.948 1.00 0.00 N ATOM 856 CA ALA A 66 -8.367 -3.182 -0.795 1.00 0.00 C ATOM 857 C ALA A 66 -7.049 -2.436 -0.664 1.00 0.00 C ATOM 858 O ALA A 66 -6.529 -1.907 -1.649 1.00 0.00 O ATOM 859 CB ALA A 66 -8.125 -4.677 -0.908 1.00 0.00 C ATOM 0 H ALA A 66 -9.047 -3.294 -2.771 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.962 -3.002 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.572 -5.023 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.081 -5.197 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.548 -4.885 -1.809 1.00 0.00 H new ATOM 865 N CYS A 67 -6.512 -2.394 0.541 1.00 0.00 N ATOM 866 CA CYS A 67 -5.285 -1.658 0.795 1.00 0.00 C ATOM 867 C CYS A 67 -4.202 -2.563 1.371 1.00 0.00 C ATOM 868 O CYS A 67 -4.443 -3.315 2.319 1.00 0.00 O ATOM 869 CB CYS A 67 -5.555 -0.494 1.748 1.00 0.00 C ATOM 870 SG CYS A 67 -7.106 0.409 1.407 1.00 0.00 S ATOM 0 H CYS A 67 -6.905 -2.860 1.359 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.927 -1.268 -0.158 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.586 -0.875 2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.721 0.206 1.694 1.00 0.00 H new ATOM 875 N ALA A 68 -3.007 -2.484 0.799 1.00 0.00 N ATOM 876 CA ALA A 68 -1.876 -3.262 1.285 1.00 0.00 C ATOM 877 C ALA A 68 -0.919 -2.362 2.045 1.00 0.00 C ATOM 878 O ALA A 68 -0.604 -1.259 1.597 1.00 0.00 O ATOM 879 CB ALA A 68 -1.159 -3.963 0.140 1.00 0.00 C ATOM 0 H ALA A 68 -2.797 -1.889 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.251 -4.031 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.319 -4.536 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.852 -4.635 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.792 -3.220 -0.568 1.00 0.00 H new ATOM 885 N LYS A 69 -0.473 -2.830 3.198 1.00 0.00 N ATOM 886 CA LYS A 69 0.347 -2.023 4.088 1.00 0.00 C ATOM 887 C LYS A 69 1.820 -2.187 3.757 1.00 0.00 C ATOM 888 O LYS A 69 2.195 -3.094 3.016 1.00 0.00 O ATOM 889 CB LYS A 69 0.087 -2.411 5.548 1.00 0.00 C ATOM 890 CG LYS A 69 -1.145 -1.746 6.150 1.00 0.00 C ATOM 891 CD LYS A 69 -2.433 -2.371 5.627 1.00 0.00 C ATOM 892 CE LYS A 69 -3.013 -3.366 6.615 1.00 0.00 C ATOM 893 NZ LYS A 69 -2.922 -4.759 6.114 1.00 0.00 N ATOM 0 H LYS A 69 -0.666 -3.771 3.542 1.00 0.00 H new ATOM 0 HA LYS A 69 0.077 -0.976 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.028 -3.493 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.960 -2.147 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.112 -1.834 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.135 -0.681 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.164 -1.587 5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.236 -2.871 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.483 -3.286 7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.056 -3.118 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.475 -5.387 6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.300 -4.805 5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.927 -5.063 6.112 1.00 0.00 H new ATOM 907 N ALA A 70 2.650 -1.316 4.312 1.00 0.00 N ATOM 908 CA ALA A 70 4.087 -1.371 4.078 1.00 0.00 C ATOM 909 C ALA A 70 4.672 -2.710 4.517 1.00 0.00 C ATOM 910 O ALA A 70 5.618 -3.216 3.907 1.00 0.00 O ATOM 911 CB ALA A 70 4.782 -0.234 4.801 1.00 0.00 C ATOM 0 H ALA A 70 2.353 -0.560 4.929 1.00 0.00 H new ATOM 0 HA ALA A 70 4.254 -1.267 3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.855 -0.288 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.398 0.718 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.593 -0.314 5.871 1.00 0.00 H new ATOM 917 N SER A 71 4.095 -3.291 5.562 1.00 0.00 N ATOM 918 CA SER A 71 4.543 -4.574 6.065 1.00 0.00 C ATOM 919 C SER A 71 4.148 -5.670 5.086 1.00 0.00 C ATOM 920 O SER A 71 4.900 -6.616 4.843 1.00 0.00 O ATOM 921 CB SER A 71 3.913 -4.818 7.431 1.00 0.00 C ATOM 922 OG SER A 71 2.860 -3.893 7.662 1.00 0.00 O ATOM 0 H SER A 71 3.312 -2.888 6.077 1.00 0.00 H new ATOM 0 HA SER A 71 5.628 -4.580 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.529 -5.837 7.485 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.669 -4.720 8.210 1.00 0.00 H new ATOM 0 HG SER A 71 2.142 -4.333 8.163 1.00 0.00 H new ATOM 928 N LEU A 72 2.962 -5.510 4.513 1.00 0.00 N ATOM 929 CA LEU A 72 2.468 -6.412 3.487 1.00 0.00 C ATOM 930 C LEU A 72 3.330 -6.302 2.236 1.00 0.00 C ATOM 931 O LEU A 72 3.518 -7.275 1.504 1.00 0.00 O ATOM 932 CB LEU A 72 1.011 -6.086 3.145 1.00 0.00 C ATOM 933 CG LEU A 72 0.041 -7.270 3.207 1.00 0.00 C ATOM 934 CD1 LEU A 72 0.647 -8.503 2.555 1.00 0.00 C ATOM 935 CD2 LEU A 72 -0.347 -7.568 4.645 1.00 0.00 C ATOM 0 H LEU A 72 2.319 -4.753 4.747 1.00 0.00 H new ATOM 0 HA LEU A 72 2.519 -7.432 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.659 -5.314 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.977 -5.663 2.141 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.858 -6.999 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.061 -9.330 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.872 -8.289 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.565 -8.775 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.036 -8.412 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.546 -7.813 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.830 -6.693 5.080 1.00 0.00 H new ATOM 947 N ILE A 73 3.855 -5.108 2.001 1.00 0.00 N ATOM 948 CA ILE A 73 4.742 -4.865 0.874 1.00 0.00 C ATOM 949 C ILE A 73 6.041 -5.654 1.041 1.00 0.00 C ATOM 950 O ILE A 73 6.593 -6.177 0.073 1.00 0.00 O ATOM 951 CB ILE A 73 5.025 -3.349 0.709 1.00 0.00 C ATOM 952 CG1 ILE A 73 3.871 -2.686 -0.050 1.00 0.00 C ATOM 953 CG2 ILE A 73 6.345 -3.100 -0.017 1.00 0.00 C ATOM 954 CD1 ILE A 73 3.504 -1.307 0.458 1.00 0.00 C ATOM 0 H ILE A 73 3.680 -4.287 2.581 1.00 0.00 H new ATOM 0 HA ILE A 73 4.248 -5.209 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 73 5.107 -2.910 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.139 -2.613 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.993 -3.329 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.510 -2.027 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.162 -3.543 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.306 -3.553 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.679 -0.909 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.203 -1.373 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.366 -0.646 0.370 1.00 0.00 H new ATOM 966 N ASP A 74 6.496 -5.776 2.284 1.00 0.00 N ATOM 967 CA ASP A 74 7.711 -6.532 2.583 1.00 0.00 C ATOM 968 C ASP A 74 7.410 -8.023 2.720 1.00 0.00 C ATOM 969 O ASP A 74 8.318 -8.841 2.847 1.00 0.00 O ATOM 970 CB ASP A 74 8.373 -6.008 3.863 1.00 0.00 C ATOM 971 CG ASP A 74 9.822 -6.450 4.002 1.00 0.00 C ATOM 972 OD1 ASP A 74 10.540 -6.507 2.981 1.00 0.00 O ATOM 973 OD2 ASP A 74 10.251 -6.742 5.140 1.00 0.00 O ATOM 0 H ASP A 74 6.044 -5.363 3.100 1.00 0.00 H new ATOM 0 HA ASP A 74 8.401 -6.396 1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.328 -4.919 3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.807 -6.356 4.727 1.00 0.00 H new ATOM 978 N GLN A 75 6.130 -8.378 2.687 1.00 0.00 N ATOM 979 CA GLN A 75 5.729 -9.775 2.778 1.00 0.00 C ATOM 980 C GLN A 75 5.540 -10.350 1.386 1.00 0.00 C ATOM 981 O GLN A 75 5.979 -11.461 1.088 1.00 0.00 O ATOM 982 CB GLN A 75 4.430 -9.919 3.581 1.00 0.00 C ATOM 983 CG GLN A 75 4.518 -10.935 4.715 1.00 0.00 C ATOM 984 CD GLN A 75 4.941 -10.306 6.031 1.00 0.00 C ATOM 985 OE1 GLN A 75 4.565 -10.772 7.107 1.00 0.00 O ATOM 986 NE2 GLN A 75 5.725 -9.242 5.954 1.00 0.00 N ATOM 0 H GLN A 75 5.356 -7.720 2.598 1.00 0.00 H new ATOM 0 HA GLN A 75 6.516 -10.325 3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.160 -8.948 3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.626 -10.211 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.549 -11.417 4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.229 -11.715 4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.015 -8.887 5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.040 -8.778 6.806 1.00 0.00 H new ATOM 995 N LEU A 76 4.888 -9.577 0.535 1.00 0.00 N ATOM 996 CA LEU A 76 4.565 -10.021 -0.807 1.00 0.00 C ATOM 997 C LEU A 76 4.935 -8.952 -1.828 1.00 0.00 C ATOM 998 O LEU A 76 5.674 -9.214 -2.777 1.00 0.00 O ATOM 999 CB LEU A 76 3.076 -10.341 -0.902 1.00 0.00 C ATOM 1000 CG LEU A 76 2.685 -11.773 -0.532 1.00 0.00 C ATOM 1001 CD1 LEU A 76 2.561 -11.935 0.975 1.00 0.00 C ATOM 1002 CD2 LEU A 76 1.382 -12.143 -1.202 1.00 0.00 C ATOM 0 H LEU A 76 4.571 -8.633 0.753 1.00 0.00 H new ATOM 0 HA LEU A 76 5.140 -10.921 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.533 -9.655 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.744 -10.144 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 76 3.472 -12.441 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.282 -12.962 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.516 -11.702 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.796 -11.257 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.112 -13.164 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.598 -11.461 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.496 -12.071 -2.284 1.00 0.00 H new ATOM 1014 N GLY A 77 4.430 -7.740 -1.619 1.00 0.00 N ATOM 1015 CA GLY A 77 4.709 -6.661 -2.549 1.00 0.00 C ATOM 1016 C GLY A 77 3.637 -6.536 -3.613 1.00 0.00 C ATOM 1017 O GLY A 77 3.942 -6.520 -4.805 1.00 0.00 O ATOM 0 H GLY A 77 3.837 -7.487 -0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.787 -5.722 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.674 -6.834 -3.025 1.00 0.00 H new ATOM 1021 N LEU A 78 2.382 -6.473 -3.175 1.00 0.00 N ATOM 1022 CA LEU A 78 1.230 -6.399 -4.080 1.00 0.00 C ATOM 1023 C LEU A 78 1.369 -5.243 -5.066 1.00 0.00 C ATOM 1024 O LEU A 78 1.079 -4.097 -4.733 1.00 0.00 O ATOM 1025 CB LEU A 78 -0.064 -6.234 -3.280 1.00 0.00 C ATOM 1026 CG LEU A 78 -0.505 -7.467 -2.487 1.00 0.00 C ATOM 1027 CD1 LEU A 78 -0.214 -8.743 -3.264 1.00 0.00 C ATOM 1028 CD2 LEU A 78 0.182 -7.488 -1.130 1.00 0.00 C ATOM 0 H LEU A 78 2.132 -6.472 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 78 1.195 -7.331 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.060 -5.402 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.864 -5.959 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.582 -7.413 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.536 -9.606 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.754 -8.723 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.856 -8.815 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.138 -8.369 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.263 -7.520 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.085 -6.590 -0.573 1.00 0.00 H new ATOM 1040 N LEU A 79 1.780 -5.563 -6.288 1.00 0.00 N ATOM 1041 CA LEU A 79 2.030 -4.550 -7.308 1.00 0.00 C ATOM 1042 C LEU A 79 0.723 -4.011 -7.898 1.00 0.00 C ATOM 1043 O LEU A 79 0.742 -3.171 -8.795 1.00 0.00 O ATOM 1044 CB LEU A 79 2.910 -5.132 -8.423 1.00 0.00 C ATOM 1045 CG LEU A 79 2.702 -6.624 -8.699 1.00 0.00 C ATOM 1046 CD1 LEU A 79 1.812 -6.826 -9.914 1.00 0.00 C ATOM 1047 CD2 LEU A 79 4.042 -7.316 -8.900 1.00 0.00 C ATOM 0 H LEU A 79 1.948 -6.520 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 79 2.550 -3.718 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.720 -4.578 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.956 -4.968 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 79 2.207 -7.068 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.677 -7.893 -10.093 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.842 -6.362 -9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.278 -6.368 -10.787 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.879 -8.376 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.560 -6.867 -9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.649 -7.202 -8.002 1.00 0.00 H new ATOM 1059 N ALA A 80 -0.403 -4.497 -7.391 1.00 0.00 N ATOM 1060 CA ALA A 80 -1.705 -4.061 -7.871 1.00 0.00 C ATOM 1061 C ALA A 80 -2.010 -2.640 -7.406 1.00 0.00 C ATOM 1062 O ALA A 80 -2.647 -1.865 -8.118 1.00 0.00 O ATOM 1063 CB ALA A 80 -2.789 -5.021 -7.400 1.00 0.00 C ATOM 0 H ALA A 80 -0.439 -5.194 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.686 -4.062 -8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.758 -4.683 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.583 -6.020 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.802 -5.049 -6.310 1.00 0.00 H new ATOM 1069 N LEU A 81 -1.537 -2.294 -6.217 1.00 0.00 N ATOM 1070 CA LEU A 81 -1.822 -0.988 -5.639 1.00 0.00 C ATOM 1071 C LEU A 81 -0.542 -0.199 -5.387 1.00 0.00 C ATOM 1072 O LEU A 81 -0.576 0.905 -4.841 1.00 0.00 O ATOM 1073 CB LEU A 81 -2.625 -1.150 -4.348 1.00 0.00 C ATOM 1074 CG LEU A 81 -2.260 -2.377 -3.520 1.00 0.00 C ATOM 1075 CD1 LEU A 81 -0.992 -2.105 -2.743 1.00 0.00 C ATOM 1076 CD2 LEU A 81 -3.399 -2.760 -2.587 1.00 0.00 C ATOM 0 H LEU A 81 -0.956 -2.897 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.418 -0.421 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.484 -0.260 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.684 -1.200 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.088 -3.219 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.732 -2.983 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.181 -1.882 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.147 -1.254 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.115 -3.638 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.610 -1.931 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.290 -2.985 -3.174 1.00 0.00 H new ATOM 1088 N VAL A 82 0.582 -0.761 -5.805 1.00 0.00 N ATOM 1089 CA VAL A 82 1.867 -0.098 -5.647 1.00 0.00 C ATOM 1090 C VAL A 82 2.381 0.365 -7.003 1.00 0.00 C ATOM 1091 O VAL A 82 2.247 -0.342 -8.003 1.00 0.00 O ATOM 1092 CB VAL A 82 2.917 -1.025 -4.981 1.00 0.00 C ATOM 1093 CG1 VAL A 82 4.282 -0.360 -4.904 1.00 0.00 C ATOM 1094 CG2 VAL A 82 2.463 -1.440 -3.592 1.00 0.00 C ATOM 0 H VAL A 82 0.630 -1.675 -6.256 1.00 0.00 H new ATOM 0 HA VAL A 82 1.717 0.761 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 82 3.008 -1.914 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.992 -1.039 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.626 -0.118 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.208 0.555 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.214 -2.090 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.333 -0.553 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.516 -1.975 -3.663 1.00 0.00 H new ATOM 1104 N ASP A 83 2.942 1.557 -7.043 1.00 0.00 N ATOM 1105 CA ASP A 83 3.525 2.079 -8.265 1.00 0.00 C ATOM 1106 C ASP A 83 4.979 2.441 -8.027 1.00 0.00 C ATOM 1107 O ASP A 83 5.374 2.733 -6.897 1.00 0.00 O ATOM 1108 CB ASP A 83 2.756 3.304 -8.756 1.00 0.00 C ATOM 1109 CG ASP A 83 3.115 3.672 -10.181 1.00 0.00 C ATOM 1110 OD1 ASP A 83 3.018 2.794 -11.070 1.00 0.00 O ATOM 1111 OD2 ASP A 83 3.502 4.833 -10.418 1.00 0.00 O ATOM 0 H ASP A 83 3.007 2.185 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 83 3.465 1.308 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.686 3.109 -8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.966 4.149 -8.100 1.00 0.00 H new ATOM 1116 N HIS A 84 5.785 2.405 -9.071 1.00 0.00 N ATOM 1117 CA HIS A 84 7.185 2.739 -8.926 1.00 0.00 C ATOM 1118 C HIS A 84 7.560 3.951 -9.762 1.00 0.00 C ATOM 1119 O HIS A 84 7.214 4.050 -10.940 1.00 0.00 O ATOM 1120 CB HIS A 84 8.084 1.559 -9.288 1.00 0.00 C ATOM 1121 CG HIS A 84 9.338 1.539 -8.469 1.00 0.00 C ATOM 1122 ND1 HIS A 84 10.342 2.474 -8.606 1.00 0.00 N ATOM 1123 CD2 HIS A 84 9.720 0.726 -7.455 1.00 0.00 C ATOM 1124 CE1 HIS A 84 11.273 2.250 -7.700 1.00 0.00 C ATOM 1125 NE2 HIS A 84 10.926 1.192 -6.992 1.00 0.00 N ATOM 0 H HIS A 84 5.498 2.151 -10.016 1.00 0.00 H new ATOM 0 HA HIS A 84 7.342 2.983 -7.875 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.538 0.628 -9.138 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.342 1.611 -10.346 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.177 -0.129 -7.080 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.170 2.835 -7.561 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.465 0.787 -6.227 1.00 0.00 H new ATOM 1134 N THR A 85 8.260 4.868 -9.124 1.00 0.00 N ATOM 1135 CA THR A 85 8.814 6.030 -9.787 1.00 0.00 C ATOM 1136 C THR A 85 10.221 6.263 -9.240 1.00 0.00 C ATOM 1137 O THR A 85 10.640 5.561 -8.319 1.00 0.00 O ATOM 1138 CB THR A 85 7.920 7.270 -9.569 1.00 0.00 C ATOM 1139 OG1 THR A 85 8.408 8.392 -10.323 1.00 0.00 O ATOM 1140 CG2 THR A 85 7.849 7.624 -8.097 1.00 0.00 C ATOM 0 H THR A 85 8.461 4.827 -8.125 1.00 0.00 H new ATOM 0 HA THR A 85 8.859 5.858 -10.862 1.00 0.00 H new ATOM 0 HB THR A 85 6.917 7.027 -9.920 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.944 8.970 -9.740 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.215 8.500 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.431 6.785 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.851 7.842 -7.726 1.00 0.00 H new ATOM 1148 N GLU A 86 10.950 7.221 -9.793 1.00 0.00 N ATOM 1149 CA GLU A 86 12.321 7.475 -9.351 1.00 0.00 C ATOM 1150 C GLU A 86 12.335 8.044 -7.936 1.00 0.00 C ATOM 1151 O GLU A 86 13.360 8.039 -7.254 1.00 0.00 O ATOM 1152 CB GLU A 86 13.029 8.426 -10.315 1.00 0.00 C ATOM 1153 CG GLU A 86 13.055 7.921 -11.746 1.00 0.00 C ATOM 1154 CD GLU A 86 13.742 6.574 -11.887 1.00 0.00 C ATOM 1155 OE1 GLU A 86 13.096 5.536 -11.625 1.00 0.00 O ATOM 1156 OE2 GLU A 86 14.921 6.546 -12.294 1.00 0.00 O ATOM 0 H GLU A 86 10.623 7.832 -10.541 1.00 0.00 H new ATOM 0 HA GLU A 86 12.858 6.526 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.532 9.396 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.052 8.583 -9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.033 7.842 -12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.566 8.651 -12.374 1.00 0.00 H new ATOM 1163 N GLU A 87 11.183 8.527 -7.498 1.00 0.00 N ATOM 1164 CA GLU A 87 11.027 9.031 -6.143 1.00 0.00 C ATOM 1165 C GLU A 87 10.892 7.874 -5.152 1.00 0.00 C ATOM 1166 O GLU A 87 10.850 8.080 -3.940 1.00 0.00 O ATOM 1167 CB GLU A 87 9.801 9.941 -6.051 1.00 0.00 C ATOM 1168 CG GLU A 87 9.987 11.296 -6.726 1.00 0.00 C ATOM 1169 CD GLU A 87 9.856 11.222 -8.237 1.00 0.00 C ATOM 1170 OE1 GLU A 87 9.206 10.284 -8.738 1.00 0.00 O ATOM 1171 OE2 GLU A 87 10.412 12.098 -8.932 1.00 0.00 O ATOM 0 H GLU A 87 10.337 8.581 -8.066 1.00 0.00 H new ATOM 0 HA GLU A 87 11.916 9.608 -5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.949 9.434 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.556 10.099 -5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.248 11.996 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.969 11.693 -6.470 1.00 0.00 H new ATOM 1178 N GLY A 88 10.824 6.655 -5.682 1.00 0.00 N ATOM 1179 CA GLY A 88 10.756 5.474 -4.843 1.00 0.00 C ATOM 1180 C GLY A 88 9.440 4.732 -4.984 1.00 0.00 C ATOM 1181 O GLY A 88 8.622 5.076 -5.845 1.00 0.00 O ATOM 0 H GLY A 88 10.815 6.466 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.576 4.803 -5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.895 5.764 -3.802 1.00 0.00 H new ATOM 1185 N PRO A 89 9.220 3.688 -4.169 1.00 0.00 N ATOM 1186 CA PRO A 89 7.948 2.966 -4.123 1.00 0.00 C ATOM 1187 C PRO A 89 6.828 3.856 -3.594 1.00 0.00 C ATOM 1188 O PRO A 89 6.894 4.351 -2.467 1.00 0.00 O ATOM 1189 CB PRO A 89 8.214 1.799 -3.161 1.00 0.00 C ATOM 1190 CG PRO A 89 9.697 1.728 -3.025 1.00 0.00 C ATOM 1191 CD PRO A 89 10.199 3.126 -3.231 1.00 0.00 C ATOM 0 HA PRO A 89 7.625 2.634 -5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.739 1.970 -2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.810 0.866 -3.554 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.981 1.352 -2.042 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.124 1.048 -3.762 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.231 3.686 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.208 3.137 -3.644 1.00 0.00 H new ATOM 1199 N VAL A 90 5.804 4.063 -4.410 1.00 0.00 N ATOM 1200 CA VAL A 90 4.760 5.021 -4.088 1.00 0.00 C ATOM 1201 C VAL A 90 3.371 4.433 -4.316 1.00 0.00 C ATOM 1202 O VAL A 90 3.231 3.277 -4.725 1.00 0.00 O ATOM 1203 CB VAL A 90 4.907 6.301 -4.938 1.00 0.00 C ATOM 1204 CG1 VAL A 90 6.009 7.190 -4.381 1.00 0.00 C ATOM 1205 CG2 VAL A 90 5.188 5.949 -6.392 1.00 0.00 C ATOM 0 H VAL A 90 5.675 3.580 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 90 4.871 5.268 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 90 3.967 6.851 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.097 8.087 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.766 7.473 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.955 6.648 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.288 6.864 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.113 5.375 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.364 5.355 -6.788 1.00 0.00 H new ATOM 1215 N CYS A 91 2.351 5.237 -4.046 1.00 0.00 N ATOM 1216 CA CYS A 91 0.973 4.834 -4.255 1.00 0.00 C ATOM 1217 C CYS A 91 0.655 4.744 -5.741 1.00 0.00 C ATOM 1218 O CYS A 91 1.200 5.497 -6.552 1.00 0.00 O ATOM 1219 CB CYS A 91 0.030 5.835 -3.592 1.00 0.00 C ATOM 1220 SG CYS A 91 -0.981 5.123 -2.257 1.00 0.00 S ATOM 0 H CYS A 91 2.458 6.182 -3.678 1.00 0.00 H new ATOM 0 HA CYS A 91 0.834 3.850 -3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.617 6.660 -3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -0.631 6.254 -4.351 1.00 0.00 H new ATOM 1225 N LYS A 92 -0.210 3.805 -6.092 1.00 0.00 N ATOM 1226 CA LYS A 92 -0.675 3.675 -7.462 1.00 0.00 C ATOM 1227 C LYS A 92 -1.871 4.588 -7.704 1.00 0.00 C ATOM 1228 O LYS A 92 -2.001 5.177 -8.776 1.00 0.00 O ATOM 1229 CB LYS A 92 -1.051 2.223 -7.776 1.00 0.00 C ATOM 1230 CG LYS A 92 -1.324 1.956 -9.253 1.00 0.00 C ATOM 1231 CD LYS A 92 -0.053 2.023 -10.076 1.00 0.00 C ATOM 1232 CE LYS A 92 0.233 0.704 -10.773 1.00 0.00 C ATOM 1233 NZ LYS A 92 1.660 0.310 -10.632 1.00 0.00 N ATOM 0 H LYS A 92 -0.604 3.122 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 92 0.138 3.971 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.244 1.570 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.937 1.955 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.781 0.973 -9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.041 2.686 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.141 2.816 -10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.786 2.283 -9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.404 -0.075 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.019 0.788 -11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.873 -0.465 -11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.268 1.125 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.838 -0.006 -9.657 1.00 0.00 H new ATOM 1247 N ASN A 93 -2.739 4.711 -6.700 1.00 0.00 N ATOM 1248 CA ASN A 93 -3.945 5.519 -6.845 1.00 0.00 C ATOM 1249 C ASN A 93 -4.388 6.111 -5.511 1.00 0.00 C ATOM 1250 O ASN A 93 -4.002 7.217 -5.154 1.00 0.00 O ATOM 1251 CB ASN A 93 -5.087 4.686 -7.430 1.00 0.00 C ATOM 1252 CG ASN A 93 -5.244 4.879 -8.922 1.00 0.00 C ATOM 1253 OD1 ASN A 93 -5.736 5.909 -9.380 1.00 0.00 O ATOM 1254 ND2 ASN A 93 -4.830 3.885 -9.688 1.00 0.00 N ATOM 0 H ASN A 93 -2.630 4.266 -5.788 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.703 6.336 -7.525 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.906 3.632 -7.221 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.019 4.954 -6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.913 3.954 -10.702 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.428 3.049 -9.265 1.00 0.00 H new ATOM 1261 N ILE A 94 -5.182 5.353 -4.770 1.00 0.00 N ATOM 1262 CA ILE A 94 -5.853 5.877 -3.588 1.00 0.00 C ATOM 1263 C ILE A 94 -5.031 5.632 -2.319 1.00 0.00 C ATOM 1264 O ILE A 94 -4.561 4.522 -2.079 1.00 0.00 O ATOM 1265 CB ILE A 94 -7.254 5.234 -3.437 1.00 0.00 C ATOM 1266 CG1 ILE A 94 -8.066 5.419 -4.722 1.00 0.00 C ATOM 1267 CG2 ILE A 94 -8.003 5.826 -2.257 1.00 0.00 C ATOM 1268 CD1 ILE A 94 -8.817 4.176 -5.151 1.00 0.00 C ATOM 0 H ILE A 94 -5.378 4.371 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.960 6.954 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.117 4.168 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.778 6.231 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.395 5.723 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.983 5.356 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.438 5.649 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.126 6.899 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.369 4.383 -6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.109 3.366 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.514 3.883 -4.366 1.00 0.00 H new ATOM 1280 N VAL A 95 -4.857 6.677 -1.515 1.00 0.00 N ATOM 1281 CA VAL A 95 -4.127 6.563 -0.256 1.00 0.00 C ATOM 1282 C VAL A 95 -5.101 6.452 0.921 1.00 0.00 C ATOM 1283 O VAL A 95 -6.066 7.219 1.013 1.00 0.00 O ATOM 1284 CB VAL A 95 -3.171 7.765 -0.046 1.00 0.00 C ATOM 1285 CG1 VAL A 95 -3.891 9.086 -0.272 1.00 0.00 C ATOM 1286 CG2 VAL A 95 -2.536 7.726 1.340 1.00 0.00 C ATOM 0 H VAL A 95 -5.212 7.613 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.524 5.656 -0.304 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.374 7.685 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.195 9.911 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.275 9.121 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.719 9.174 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.870 8.581 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.317 7.765 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.966 6.804 1.453 1.00 0.00 H new ATOM 1296 N ALA A 96 -4.862 5.485 1.803 1.00 0.00 N ATOM 1297 CA ALA A 96 -5.741 5.253 2.937 1.00 0.00 C ATOM 1298 C ALA A 96 -4.998 4.588 4.092 1.00 0.00 C ATOM 1299 O ALA A 96 -3.882 4.098 3.925 1.00 0.00 O ATOM 1300 CB ALA A 96 -6.917 4.394 2.508 1.00 0.00 C ATOM 0 H ALA A 96 -4.065 4.851 1.751 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.105 6.219 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.573 4.223 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.472 4.904 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.552 3.438 2.134 1.00 0.00 H new ATOM 1306 N CYS A 97 -5.625 4.571 5.259 1.00 0.00 N ATOM 1307 CA CYS A 97 -5.044 3.938 6.433 1.00 0.00 C ATOM 1308 C CYS A 97 -5.770 2.633 6.735 1.00 0.00 C ATOM 1309 O CYS A 97 -6.993 2.608 6.866 1.00 0.00 O ATOM 1310 CB CYS A 97 -5.109 4.874 7.641 1.00 0.00 C ATOM 1311 SG CYS A 97 -5.460 6.615 7.235 1.00 0.00 S ATOM 0 H CYS A 97 -6.541 4.991 5.418 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.996 3.721 6.226 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -5.878 4.512 8.323 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -4.160 4.823 8.174 1.00 0.00 H new ATOM 1316 N CYS A 98 -5.014 1.551 6.846 1.00 0.00 N ATOM 1317 CA CYS A 98 -5.593 0.219 6.961 1.00 0.00 C ATOM 1318 C CYS A 98 -4.886 -0.598 8.043 1.00 0.00 C ATOM 1319 O CYS A 98 -3.658 -0.609 8.113 1.00 0.00 O ATOM 1320 CB CYS A 98 -5.479 -0.494 5.617 1.00 0.00 C ATOM 1321 SG CYS A 98 -6.525 -1.979 5.465 1.00 0.00 S ATOM 0 H CYS A 98 -3.994 1.569 6.859 1.00 0.00 H new ATOM 0 HA CYS A 98 -6.641 0.317 7.244 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.744 0.206 4.824 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.439 -0.778 5.457 1.00 0.00 H new ATOM 1326 N PRO A 99 -5.655 -1.283 8.904 1.00 0.00 N ATOM 1327 CA PRO A 99 -5.103 -2.095 9.992 1.00 0.00 C ATOM 1328 C PRO A 99 -4.675 -3.491 9.539 1.00 0.00 C ATOM 1329 O PRO A 99 -5.310 -4.108 8.678 1.00 0.00 O ATOM 1330 CB PRO A 99 -6.285 -2.201 10.958 1.00 0.00 C ATOM 1331 CG PRO A 99 -7.493 -2.168 10.085 1.00 0.00 C ATOM 1332 CD PRO A 99 -7.135 -1.310 8.898 1.00 0.00 C ATOM 0 HA PRO A 99 -4.202 -1.651 10.414 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -6.241 -3.123 11.538 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.289 -1.376 11.671 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -7.771 -3.173 9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.348 -1.754 10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.522 -1.732 7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.552 -0.307 8.991 1.00 0.00 H new ATOM 1340 N GLU A 100 -3.578 -3.981 10.099 1.00 0.00 N ATOM 1341 CA GLU A 100 -3.198 -5.370 9.912 1.00 0.00 C ATOM 1342 C GLU A 100 -3.994 -6.238 10.875 1.00 0.00 C ATOM 1343 O GLU A 100 -4.011 -5.987 12.081 1.00 0.00 O ATOM 1344 CB GLU A 100 -1.702 -5.570 10.140 1.00 0.00 C ATOM 1345 CG GLU A 100 -1.057 -6.517 9.139 1.00 0.00 C ATOM 1346 CD GLU A 100 -0.151 -5.797 8.163 1.00 0.00 C ATOM 1347 OE1 GLU A 100 1.031 -5.578 8.498 1.00 0.00 O ATOM 1348 OE2 GLU A 100 -0.622 -5.457 7.058 1.00 0.00 O ATOM 0 H GLU A 100 -2.940 -3.440 10.683 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.418 -5.658 8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.202 -4.603 10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.544 -5.956 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.482 -7.271 9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.836 -7.043 8.587 1.00 0.00 H new ATOM 1355 N GLY A 101 -4.679 -7.231 10.342 1.00 0.00 N ATOM 1356 CA GLY A 101 -5.534 -8.058 11.153 1.00 0.00 C ATOM 1357 C GLY A 101 -6.856 -8.263 10.469 1.00 0.00 C ATOM 1358 O GLY A 101 -6.907 -8.868 9.403 1.00 0.00 O ATOM 0 H GLY A 101 -4.657 -7.480 9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.056 -9.021 11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.688 -7.591 12.126 1.00 0.00 H new ATOM 1362 N THR A 102 -7.919 -7.727 11.040 1.00 0.00 N ATOM 1363 CA THR A 102 -9.232 -7.866 10.434 1.00 0.00 C ATOM 1364 C THR A 102 -10.103 -6.646 10.684 1.00 0.00 C ATOM 1365 O THR A 102 -10.616 -6.451 11.786 1.00 0.00 O ATOM 1366 CB THR A 102 -9.956 -9.107 10.970 1.00 0.00 C ATOM 1367 OG1 THR A 102 -9.039 -9.938 11.700 1.00 0.00 O ATOM 1368 CG2 THR A 102 -10.569 -9.904 9.831 1.00 0.00 C ATOM 0 H THR A 102 -7.902 -7.198 11.912 1.00 0.00 H new ATOM 0 HA THR A 102 -9.069 -7.969 9.361 1.00 0.00 H new ATOM 0 HB THR A 102 -10.753 -8.776 11.636 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.511 -10.727 12.039 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.078 -10.780 10.233 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.286 -9.281 9.296 1.00 0.00 H new ATOM 0 HG23 THR A 102 -9.783 -10.223 9.146 1.00 0.00 H new ATOM 1376 N THR A 103 -10.263 -5.849 9.632 1.00 0.00 N ATOM 1377 CA THR A 103 -11.177 -4.708 9.580 1.00 0.00 C ATOM 1378 C THR A 103 -10.924 -3.941 8.305 1.00 0.00 C ATOM 1379 O THR A 103 -9.935 -4.192 7.610 1.00 0.00 O ATOM 1380 CB THR A 103 -11.067 -3.713 10.770 1.00 0.00 C ATOM 1381 OG1 THR A 103 -9.933 -3.999 11.598 1.00 0.00 O ATOM 1382 CG2 THR A 103 -12.334 -3.752 11.608 1.00 0.00 C ATOM 0 H THR A 103 -9.745 -5.982 8.764 1.00 0.00 H new ATOM 0 HA THR A 103 -12.179 -5.135 9.631 1.00 0.00 H new ATOM 0 HB THR A 103 -10.937 -2.716 10.350 1.00 0.00 H new ATOM 0 HG1 THR A 103 -10.119 -4.791 12.145 1.00 0.00 H new ATOM 0 HG21 THR A 103 -12.243 -3.051 12.438 1.00 0.00 H new ATOM 0 HG22 THR A 103 -13.188 -3.474 10.990 1.00 0.00 H new ATOM 0 HG23 THR A 103 -12.481 -4.759 11.999 1.00 0.00 H new ATOM 1390 N ASN A 104 -11.818 -3.020 7.993 1.00 0.00 N ATOM 1391 CA ASN A 104 -11.706 -2.240 6.778 1.00 0.00 C ATOM 1392 C ASN A 104 -10.707 -1.112 6.963 1.00 0.00 C ATOM 1393 O ASN A 104 -10.248 -0.845 8.075 1.00 0.00 O ATOM 1394 CB ASN A 104 -13.061 -1.657 6.352 1.00 0.00 C ATOM 1395 CG ASN A 104 -14.259 -2.307 7.024 1.00 0.00 C ATOM 1396 OD1 ASN A 104 -14.372 -3.529 7.086 1.00 0.00 O ATOM 1397 ND2 ASN A 104 -15.168 -1.485 7.523 1.00 0.00 N ATOM 0 H ASN A 104 -12.631 -2.795 8.567 1.00 0.00 H new ATOM 0 HA ASN A 104 -11.359 -2.911 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.070 -0.590 6.573 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.165 -1.760 5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -15.999 -1.860 7.979 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -15.037 -0.476 7.451 1.00 0.00 H new ATOM 1404 N CYS A 105 -10.393 -0.444 5.871 1.00 0.00 N ATOM 1405 CA CYS A 105 -9.433 0.644 5.888 1.00 0.00 C ATOM 1406 C CYS A 105 -10.133 1.971 5.611 1.00 0.00 C ATOM 1407 O CYS A 105 -11.072 2.035 4.815 1.00 0.00 O ATOM 1408 CB CYS A 105 -8.337 0.401 4.846 1.00 0.00 C ATOM 1409 SG CYS A 105 -8.120 -1.351 4.373 1.00 0.00 S ATOM 0 H CYS A 105 -10.792 -0.637 4.952 1.00 0.00 H new ATOM 0 HA CYS A 105 -8.975 0.688 6.876 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -8.568 0.980 3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -7.392 0.779 5.236 1.00 0.00 H new ATOM 1414 N VAL A 106 -9.680 3.026 6.274 1.00 0.00 N ATOM 1415 CA VAL A 106 -10.301 4.335 6.147 1.00 0.00 C ATOM 1416 C VAL A 106 -9.575 5.178 5.101 1.00 0.00 C ATOM 1417 O VAL A 106 -8.345 5.198 5.049 1.00 0.00 O ATOM 1418 CB VAL A 106 -10.337 5.081 7.505 1.00 0.00 C ATOM 1419 CG1 VAL A 106 -10.833 4.158 8.602 1.00 0.00 C ATOM 1420 CG2 VAL A 106 -8.972 5.641 7.876 1.00 0.00 C ATOM 0 H VAL A 106 -8.881 2.999 6.908 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.329 4.179 5.821 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.026 5.919 7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.853 4.697 9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.838 3.813 8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.165 3.301 8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.038 6.157 8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.253 4.826 7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.646 6.343 7.108 1.00 0.00 H new ATOM 1430 N ALA A 107 -10.338 5.860 4.262 1.00 0.00 N ATOM 1431 CA ALA A 107 -9.757 6.663 3.197 1.00 0.00 C ATOM 1432 C ALA A 107 -9.963 8.148 3.455 1.00 0.00 C ATOM 1433 O ALA A 107 -11.090 8.612 3.630 1.00 0.00 O ATOM 1434 CB ALA A 107 -10.342 6.265 1.854 1.00 0.00 C ATOM 0 H ALA A 107 -11.357 5.874 4.297 1.00 0.00 H new ATOM 0 HA ALA A 107 -8.684 6.474 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.897 6.875 1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.129 5.213 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.421 6.420 1.867 1.00 0.00 H new ATOM 1440 N VAL A 108 -8.866 8.891 3.476 1.00 0.00 N ATOM 1441 CA VAL A 108 -8.916 10.321 3.752 1.00 0.00 C ATOM 1442 C VAL A 108 -8.694 11.137 2.484 1.00 0.00 C ATOM 1443 O VAL A 108 -8.509 12.352 2.536 1.00 0.00 O ATOM 1444 CB VAL A 108 -7.873 10.744 4.813 1.00 0.00 C ATOM 1445 CG1 VAL A 108 -8.550 11.098 6.129 1.00 0.00 C ATOM 1446 CG2 VAL A 108 -6.840 9.647 5.021 1.00 0.00 C ATOM 0 H VAL A 108 -7.928 8.527 3.305 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.913 10.522 4.143 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.360 11.632 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.796 11.392 6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.243 11.924 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.097 10.232 6.501 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.116 9.966 5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.337 8.738 5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.325 9.449 4.081 1.00 0.00 H new ATOM 1456 N ASP A 109 -8.730 10.460 1.350 1.00 0.00 N ATOM 1457 CA ASP A 109 -8.543 11.112 0.057 1.00 0.00 C ATOM 1458 C ASP A 109 -9.820 11.005 -0.771 1.00 0.00 C ATOM 1459 O ASP A 109 -10.611 11.947 -0.828 1.00 0.00 O ATOM 1460 CB ASP A 109 -7.369 10.479 -0.699 1.00 0.00 C ATOM 1461 CG ASP A 109 -7.152 11.107 -2.063 1.00 0.00 C ATOM 1462 OD1 ASP A 109 -6.484 12.155 -2.135 1.00 0.00 O ATOM 1463 OD2 ASP A 109 -7.652 10.553 -3.065 1.00 0.00 O ATOM 0 H ASP A 109 -8.888 9.454 1.294 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.317 12.165 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.460 10.583 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.551 9.411 -0.819 1.00 0.00 H new