USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 979 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 131 HIS : no HD1:sc=-0.00699 K(o=-0.15,f=-1.1) USER MOD Set 1.2: A 140 LYS NZ :NH3+ -151:sc= -0.145 (180deg=-0.914) USER MOD Set 2.1: A 116 THR OG1 : rot -21:sc= 0.592 USER MOD Set 2.2: A 117 THR OG1 : rot 81:sc= 0.0658 USER MOD Set 3.1: A 99 LYS NZ :NH3+ 156:sc= 0.232 (180deg=0) USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.23 USER MOD Set 4.1: A 23 THR OG1 : rot 38:sc= 0.185 USER MOD Set 4.2: A 139 MET CE :methyl -179:sc= -0.888 (180deg=-0.889) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0766 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.82 USER MOD Single : A 28 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.05) USER MOD Single : A 35 GLN : amide:sc= -0.591 K(o=-0.59,f=-3.7!) USER MOD Single : A 40 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.8!) USER MOD Single : A 65 GLN : amide:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 74 GLN : amide:sc= -2.78 K(o=-2.8,f=-0.13) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.0923 K(o=0.092,f=-0.71) USER MOD Single : A 87 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-2.8!) USER MOD Single : A 93 HIS : no HD1:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.742 X(o=-0.74,f=-0.62) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot -150:sc= -0.544 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 THR OG1 : rot -18:sc= 0.487 USER MOD Single : A 136 SER OG : rot -139:sc= -0.934 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 162:sc= -0.0256 (180deg=-0.224) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -6.49! C(o=-6.5!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 2.503 -19.939 -0.917 1.00 0.00 N ATOM 208 CA PRO A 16 2.383 -18.565 -0.422 1.00 0.00 C ATOM 209 C PRO A 16 3.417 -18.242 0.650 1.00 0.00 C ATOM 210 O PRO A 16 3.697 -17.076 0.925 1.00 0.00 O ATOM 211 CB PRO A 16 0.970 -18.523 0.167 1.00 0.00 C ATOM 212 CG PRO A 16 0.668 -19.937 0.527 1.00 0.00 C ATOM 213 CD PRO A 16 1.374 -20.784 -0.495 1.00 0.00 C ATOM 0 HA PRO A 16 2.554 -17.832 -1.210 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.925 -17.873 1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.251 -18.136 -0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.018 -20.167 1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.406 -20.122 0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.715 -21.727 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.721 -21.031 -1.333 1.00 0.00 H new ATOM 221 N ARG A 17 3.981 -19.284 1.254 1.00 0.00 N ATOM 222 CA ARG A 17 4.984 -19.112 2.298 1.00 0.00 C ATOM 223 C ARG A 17 5.816 -17.856 2.050 1.00 0.00 C ATOM 224 O ARG A 17 5.930 -16.995 2.921 1.00 0.00 O ATOM 225 CB ARG A 17 5.898 -20.337 2.365 1.00 0.00 C ATOM 226 CG ARG A 17 5.175 -21.614 2.757 1.00 0.00 C ATOM 227 CD ARG A 17 6.113 -22.597 3.442 1.00 0.00 C ATOM 228 NE ARG A 17 5.476 -23.891 3.673 1.00 0.00 N ATOM 229 CZ ARG A 17 6.027 -24.862 4.393 1.00 0.00 C ATOM 230 NH1 ARG A 17 7.216 -24.687 4.950 1.00 0.00 N ATOM 231 NH2 ARG A 17 5.385 -26.012 4.557 1.00 0.00 N ATOM 0 H ARG A 17 3.760 -20.256 1.038 1.00 0.00 H new ATOM 0 HA ARG A 17 4.466 -19.002 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.371 -20.481 1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.696 -20.146 3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.347 -21.375 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.745 -22.078 1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.004 -22.736 2.829 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.443 -22.180 4.394 1.00 0.00 H new ATOM 0 HE ARG A 17 4.559 -24.058 3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.712 -23.804 4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.636 -25.435 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.469 -26.150 4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.808 -26.758 5.110 1.00 0.00 H new ATOM 245 N GLU A 18 6.392 -17.761 0.857 1.00 0.00 N ATOM 246 CA GLU A 18 7.214 -16.611 0.496 1.00 0.00 C ATOM 247 C GLU A 18 6.404 -15.591 -0.299 1.00 0.00 C ATOM 248 O GLU A 18 6.192 -15.754 -1.500 1.00 0.00 O ATOM 249 CB GLU A 18 8.429 -17.060 -0.319 1.00 0.00 C ATOM 250 CG GLU A 18 8.118 -18.158 -1.322 1.00 0.00 C ATOM 251 CD GLU A 18 8.304 -19.547 -0.743 1.00 0.00 C ATOM 252 OE1 GLU A 18 9.462 -19.920 -0.459 1.00 0.00 O ATOM 253 OE2 GLU A 18 7.294 -20.262 -0.576 1.00 0.00 O ATOM 0 H GLU A 18 6.305 -18.465 0.124 1.00 0.00 H new ATOM 0 HA GLU A 18 7.557 -16.139 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.838 -16.200 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.203 -17.411 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.091 -18.048 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.763 -18.042 -2.193 1.00 0.00 H new ATOM 260 N GLU A 19 5.956 -14.541 0.381 1.00 0.00 N ATOM 261 CA GLU A 19 5.168 -13.495 -0.261 1.00 0.00 C ATOM 262 C GLU A 19 5.576 -12.116 0.248 1.00 0.00 C ATOM 263 O GLU A 19 5.372 -11.788 1.417 1.00 0.00 O ATOM 264 CB GLU A 19 3.676 -13.722 -0.009 1.00 0.00 C ATOM 265 CG GLU A 19 3.029 -14.670 -1.005 1.00 0.00 C ATOM 266 CD GLU A 19 1.514 -14.639 -0.940 1.00 0.00 C ATOM 267 OE1 GLU A 19 0.949 -13.533 -0.808 1.00 0.00 O ATOM 268 OE2 GLU A 19 0.894 -15.720 -1.019 1.00 0.00 O ATOM 0 H GLU A 19 6.125 -14.392 1.376 1.00 0.00 H new ATOM 0 HA GLU A 19 5.359 -13.539 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.542 -14.119 0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.160 -12.763 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.351 -14.408 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.377 -15.685 -0.813 1.00 0.00 H new ATOM 275 N SER A 20 6.156 -11.313 -0.639 1.00 0.00 N ATOM 276 CA SER A 20 6.598 -9.970 -0.278 1.00 0.00 C ATOM 277 C SER A 20 5.920 -8.922 -1.156 1.00 0.00 C ATOM 278 O SER A 20 5.742 -9.123 -2.357 1.00 0.00 O ATOM 279 CB SER A 20 8.118 -9.858 -0.412 1.00 0.00 C ATOM 280 OG SER A 20 8.766 -10.965 0.190 1.00 0.00 O ATOM 0 H SER A 20 6.331 -11.568 -1.611 1.00 0.00 H new ATOM 0 HA SER A 20 6.317 -9.787 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.390 -9.802 -1.466 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.460 -8.934 0.055 1.00 0.00 H new ATOM 0 HG SER A 20 9.736 -10.871 0.089 1.00 0.00 H new ATOM 286 N SER A 21 5.544 -7.802 -0.546 1.00 0.00 N ATOM 287 CA SER A 21 4.882 -6.723 -1.269 1.00 0.00 C ATOM 288 C SER A 21 5.195 -5.371 -0.635 1.00 0.00 C ATOM 289 O SER A 21 5.475 -5.285 0.560 1.00 0.00 O ATOM 290 CB SER A 21 3.369 -6.949 -1.294 1.00 0.00 C ATOM 291 OG SER A 21 3.055 -8.237 -1.796 1.00 0.00 O ATOM 0 H SER A 21 5.687 -7.619 0.447 1.00 0.00 H new ATOM 0 HA SER A 21 5.259 -6.721 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.965 -6.839 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.894 -6.188 -1.913 1.00 0.00 H new ATOM 0 HG SER A 21 2.083 -8.358 -1.801 1.00 0.00 H new ATOM 297 N ALA A 22 5.146 -4.319 -1.445 1.00 0.00 N ATOM 298 CA ALA A 22 5.421 -2.971 -0.963 1.00 0.00 C ATOM 299 C ALA A 22 4.202 -2.070 -1.125 1.00 0.00 C ATOM 300 O ALA A 22 3.878 -1.639 -2.232 1.00 0.00 O ATOM 301 CB ALA A 22 6.617 -2.383 -1.698 1.00 0.00 C ATOM 0 H ALA A 22 4.919 -4.374 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 22 5.655 -3.032 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.812 -1.376 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.493 -3.008 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.404 -2.343 -2.766 1.00 0.00 H new ATOM 307 N THR A 23 3.528 -1.788 -0.014 1.00 0.00 N ATOM 308 CA THR A 23 2.344 -0.940 -0.033 1.00 0.00 C ATOM 309 C THR A 23 2.689 0.495 0.348 1.00 0.00 C ATOM 310 O THR A 23 3.604 0.735 1.136 1.00 0.00 O ATOM 311 CB THR A 23 1.260 -1.468 0.927 1.00 0.00 C ATOM 312 OG1 THR A 23 0.112 -0.613 0.885 1.00 0.00 O ATOM 313 CG2 THR A 23 1.789 -1.545 2.351 1.00 0.00 C ATOM 0 H THR A 23 3.783 -2.135 0.911 1.00 0.00 H new ATOM 0 HA THR A 23 1.958 -0.959 -1.052 1.00 0.00 H new ATOM 0 HB THR A 23 0.979 -2.471 0.607 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.035 -0.308 -0.035 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.006 -1.920 3.010 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.646 -2.218 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.095 -0.552 2.680 1.00 0.00 H new ATOM 321 N CYS A 24 1.951 1.445 -0.215 1.00 0.00 N ATOM 322 CA CYS A 24 2.179 2.858 0.066 1.00 0.00 C ATOM 323 C CYS A 24 0.879 3.551 0.462 1.00 0.00 C ATOM 324 O CYS A 24 -0.207 3.121 0.076 1.00 0.00 O ATOM 325 CB CYS A 24 2.790 3.550 -1.154 1.00 0.00 C ATOM 326 SG CYS A 24 3.149 5.304 -0.905 1.00 0.00 S ATOM 0 H CYS A 24 1.190 1.263 -0.869 1.00 0.00 H new ATOM 0 HA CYS A 24 2.876 2.929 0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.712 3.036 -1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.107 3.446 -1.997 1.00 0.00 H new ATOM 0 HG CYS A 24 3.665 5.800 -1.991 1.00 0.00 H new ATOM 332 N VAL A 25 0.999 4.626 1.234 1.00 0.00 N ATOM 333 CA VAL A 25 -0.166 5.378 1.683 1.00 0.00 C ATOM 334 C VAL A 25 -0.243 6.735 0.993 1.00 0.00 C ATOM 335 O VAL A 25 0.624 7.590 1.179 1.00 0.00 O ATOM 336 CB VAL A 25 -0.144 5.592 3.209 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.197 6.608 3.621 1.00 0.00 C ATOM 338 CG2 VAL A 25 -0.350 4.270 3.934 1.00 0.00 C ATOM 0 H VAL A 25 1.891 4.996 1.561 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.044 4.788 1.419 1.00 0.00 H new ATOM 0 HB VAL A 25 0.833 5.985 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.166 6.746 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.997 7.559 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.184 6.248 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.332 4.439 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.313 3.845 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.447 3.578 3.662 1.00 0.00 H new ATOM 348 N LEU A 26 -1.288 6.928 0.194 1.00 0.00 N ATOM 349 CA LEU A 26 -1.479 8.182 -0.526 1.00 0.00 C ATOM 350 C LEU A 26 -2.471 9.082 0.204 1.00 0.00 C ATOM 351 O LEU A 26 -3.580 8.662 0.531 1.00 0.00 O ATOM 352 CB LEU A 26 -1.974 7.907 -1.947 1.00 0.00 C ATOM 353 CG LEU A 26 -2.473 9.121 -2.731 1.00 0.00 C ATOM 354 CD1 LEU A 26 -1.375 10.165 -2.856 1.00 0.00 C ATOM 355 CD2 LEU A 26 -2.972 8.700 -4.105 1.00 0.00 C ATOM 0 H LEU A 26 -2.015 6.232 0.029 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.518 8.694 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.163 7.445 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.782 7.177 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.306 9.565 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.749 11.021 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.066 10.489 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.521 9.734 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.323 9.577 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.159 8.231 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.792 7.990 -3.993 1.00 0.00 H new ATOM 367 N GLU A 27 -2.063 10.323 0.454 1.00 0.00 N ATOM 368 CA GLU A 27 -2.917 11.282 1.144 1.00 0.00 C ATOM 369 C GLU A 27 -2.895 12.636 0.439 1.00 0.00 C ATOM 370 O GLU A 27 -1.889 13.019 -0.158 1.00 0.00 O ATOM 371 CB GLU A 27 -2.469 11.444 2.598 1.00 0.00 C ATOM 372 CG GLU A 27 -3.110 12.627 3.304 1.00 0.00 C ATOM 373 CD GLU A 27 -2.389 13.003 4.584 1.00 0.00 C ATOM 374 OE1 GLU A 27 -1.339 13.675 4.497 1.00 0.00 O ATOM 375 OE2 GLU A 27 -2.873 12.627 5.671 1.00 0.00 O ATOM 0 H GLU A 27 -1.148 10.687 0.189 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.937 10.899 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.706 10.532 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.385 11.559 2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.120 13.485 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.149 12.389 3.533 1.00 0.00 H new ATOM 382 N GLN A 28 -4.011 13.354 0.515 1.00 0.00 N ATOM 383 CA GLN A 28 -4.119 14.664 -0.117 1.00 0.00 C ATOM 384 C GLN A 28 -4.938 15.617 0.746 1.00 0.00 C ATOM 385 O GLN A 28 -5.860 15.215 1.457 1.00 0.00 O ATOM 386 CB GLN A 28 -4.756 14.535 -1.502 1.00 0.00 C ATOM 387 CG GLN A 28 -6.255 14.281 -1.460 1.00 0.00 C ATOM 388 CD GLN A 28 -6.943 14.639 -2.763 1.00 0.00 C ATOM 389 OE1 GLN A 28 -7.216 15.810 -3.032 1.00 0.00 O ATOM 390 NE2 GLN A 28 -7.228 13.631 -3.579 1.00 0.00 N ATOM 0 H GLN A 28 -4.852 13.052 1.007 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.114 15.072 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.566 15.448 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.273 13.720 -2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.436 13.230 -1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.696 14.861 -0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.983 12.677 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.692 13.811 -4.470 1.00 0.00 H new ATOM 399 N PRO A 29 -4.598 16.913 0.686 1.00 0.00 N ATOM 400 CA PRO A 29 -5.289 17.951 1.455 1.00 0.00 C ATOM 401 C PRO A 29 -6.706 18.200 0.949 1.00 0.00 C ATOM 402 O PRO A 29 -6.951 18.220 -0.256 1.00 0.00 O ATOM 403 CB PRO A 29 -4.419 19.193 1.239 1.00 0.00 C ATOM 404 CG PRO A 29 -3.729 18.950 -0.059 1.00 0.00 C ATOM 405 CD PRO A 29 -3.510 17.465 -0.140 1.00 0.00 C ATOM 0 HA PRO A 29 -5.405 17.672 2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.024 20.099 1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.703 19.321 2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.334 19.301 -0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.782 19.487 -0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.565 17.106 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.530 17.182 0.245 1.00 0.00 H new ATOM 413 N GLY A 30 -7.637 18.389 1.880 1.00 0.00 N ATOM 414 CA GLY A 30 -9.019 18.634 1.508 1.00 0.00 C ATOM 415 C GLY A 30 -9.709 19.602 2.449 1.00 0.00 C ATOM 416 O GLY A 30 -9.128 20.029 3.446 1.00 0.00 O ATOM 0 H GLY A 30 -7.459 18.377 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.054 19.031 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.563 17.689 1.500 1.00 0.00 H new ATOM 420 N ALA A 31 -10.952 19.949 2.130 1.00 0.00 N ATOM 421 CA ALA A 31 -11.722 20.871 2.955 1.00 0.00 C ATOM 422 C ALA A 31 -11.566 20.545 4.436 1.00 0.00 C ATOM 423 O ALA A 31 -11.106 21.376 5.220 1.00 0.00 O ATOM 424 CB ALA A 31 -13.190 20.835 2.556 1.00 0.00 C ATOM 0 H ALA A 31 -11.446 19.606 1.307 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.336 21.877 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.754 21.528 3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.290 21.125 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.579 19.826 2.692 1.00 0.00 H new ATOM 430 N LEU A 32 -11.953 19.331 4.813 1.00 0.00 N ATOM 431 CA LEU A 32 -11.856 18.895 6.202 1.00 0.00 C ATOM 432 C LEU A 32 -10.424 19.016 6.713 1.00 0.00 C ATOM 433 O LEU A 32 -10.181 19.571 7.783 1.00 0.00 O ATOM 434 CB LEU A 32 -12.338 17.450 6.338 1.00 0.00 C ATOM 435 CG LEU A 32 -13.705 17.138 5.728 1.00 0.00 C ATOM 436 CD1 LEU A 32 -13.936 15.636 5.675 1.00 0.00 C ATOM 437 CD2 LEU A 32 -14.811 17.822 6.518 1.00 0.00 C ATOM 0 H LEU A 32 -12.336 18.632 4.177 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.493 19.542 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.598 16.796 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.369 17.197 7.398 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.723 17.524 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.914 15.433 5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.162 15.170 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.898 15.226 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.776 17.589 6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.795 17.467 7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.655 18.901 6.503 1.00 0.00 H new ATOM 449 N GLY A 33 -9.479 18.492 5.938 1.00 0.00 N ATOM 450 CA GLY A 33 -8.083 18.553 6.327 1.00 0.00 C ATOM 451 C GLY A 33 -7.191 17.731 5.418 1.00 0.00 C ATOM 452 O GLY A 33 -6.339 18.275 4.715 1.00 0.00 O ATOM 0 H GLY A 33 -9.656 18.026 5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.751 19.591 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.979 18.197 7.352 1.00 0.00 H new ATOM 456 N ALA A 34 -7.386 16.416 5.431 1.00 0.00 N ATOM 457 CA ALA A 34 -6.592 15.519 4.601 1.00 0.00 C ATOM 458 C ALA A 34 -7.169 14.107 4.614 1.00 0.00 C ATOM 459 O ALA A 34 -7.356 13.513 5.674 1.00 0.00 O ATOM 460 CB ALA A 34 -5.145 15.504 5.072 1.00 0.00 C ATOM 0 H ALA A 34 -8.087 15.949 6.007 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.624 15.889 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.564 14.830 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.730 16.510 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.102 15.162 6.106 1.00 0.00 H new ATOM 466 N GLN A 35 -7.449 13.577 3.427 1.00 0.00 N ATOM 467 CA GLN A 35 -8.006 12.235 3.303 1.00 0.00 C ATOM 468 C GLN A 35 -7.072 11.330 2.507 1.00 0.00 C ATOM 469 O GLN A 35 -6.382 11.783 1.593 1.00 0.00 O ATOM 470 CB GLN A 35 -9.379 12.290 2.630 1.00 0.00 C ATOM 471 CG GLN A 35 -9.345 12.871 1.226 1.00 0.00 C ATOM 472 CD GLN A 35 -9.583 14.367 1.207 1.00 0.00 C ATOM 473 OE1 GLN A 35 -8.839 15.119 0.576 1.00 0.00 O ATOM 474 NE2 GLN A 35 -10.626 14.810 1.900 1.00 0.00 N ATOM 0 H GLN A 35 -7.299 14.056 2.539 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.117 11.821 4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.794 11.283 2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.052 12.887 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.378 12.655 0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.102 12.379 0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.217 14.152 2.409 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.836 15.808 1.923 1.00 0.00 H new ATOM 483 N ILE A 36 -7.056 10.048 2.859 1.00 0.00 N ATOM 484 CA ILE A 36 -6.207 9.080 2.178 1.00 0.00 C ATOM 485 C ILE A 36 -6.997 8.293 1.137 1.00 0.00 C ATOM 486 O ILE A 36 -8.216 8.435 1.029 1.00 0.00 O ATOM 487 CB ILE A 36 -5.566 8.094 3.171 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.578 7.688 4.244 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.329 8.713 3.809 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.124 6.518 5.091 1.00 0.00 C ATOM 0 H ILE A 36 -7.622 9.657 3.612 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.419 9.647 1.682 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.262 7.200 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.770 8.543 4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.523 7.433 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.887 8.004 4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.603 8.958 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.610 9.621 4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.890 6.285 5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.959 5.650 4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.195 6.776 5.600 1.00 0.00 H new ATOM 502 N LEU A 37 -6.296 7.462 0.374 1.00 0.00 N ATOM 503 CA LEU A 37 -6.932 6.649 -0.658 1.00 0.00 C ATOM 504 C LEU A 37 -6.982 5.182 -0.242 1.00 0.00 C ATOM 505 O LEU A 37 -6.100 4.697 0.468 1.00 0.00 O ATOM 506 CB LEU A 37 -6.180 6.791 -1.982 1.00 0.00 C ATOM 507 CG LEU A 37 -6.418 5.684 -3.010 1.00 0.00 C ATOM 508 CD1 LEU A 37 -7.723 5.917 -3.753 1.00 0.00 C ATOM 509 CD2 LEU A 37 -5.253 5.605 -3.987 1.00 0.00 C ATOM 0 H LEU A 37 -5.287 7.333 0.450 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.954 7.005 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.456 7.744 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.112 6.837 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.490 4.733 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.875 5.119 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.550 5.923 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.681 6.876 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.439 4.812 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.150 6.557 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.334 5.390 -3.441 1.00 0.00 H new ATOM 521 N LEU A 38 -8.017 4.481 -0.689 1.00 0.00 N ATOM 522 CA LEU A 38 -8.180 3.067 -0.366 1.00 0.00 C ATOM 523 C LEU A 38 -8.762 2.302 -1.551 1.00 0.00 C ATOM 524 O LEU A 38 -9.856 2.607 -2.025 1.00 0.00 O ATOM 525 CB LEU A 38 -9.087 2.906 0.855 1.00 0.00 C ATOM 526 CG LEU A 38 -8.895 1.625 1.669 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.565 1.657 2.406 1.00 0.00 C ATOM 528 CD2 LEU A 38 -10.046 1.437 2.647 1.00 0.00 C ATOM 0 H LEU A 38 -8.756 4.868 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.197 2.654 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.929 3.759 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.124 2.949 0.521 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.887 0.778 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.445 0.738 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.752 1.744 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.544 2.512 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.893 0.521 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.087 2.287 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.984 1.369 2.096 1.00 0.00 H new ATOM 540 N VAL A 39 -8.023 1.303 -2.024 1.00 0.00 N ATOM 541 CA VAL A 39 -8.466 0.491 -3.150 1.00 0.00 C ATOM 542 C VAL A 39 -8.861 -0.910 -2.696 1.00 0.00 C ATOM 543 O VAL A 39 -8.351 -1.416 -1.697 1.00 0.00 O ATOM 544 CB VAL A 39 -7.370 0.379 -4.227 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.859 1.759 -4.614 1.00 0.00 C ATOM 546 CG2 VAL A 39 -6.231 -0.503 -3.738 1.00 0.00 C ATOM 0 H VAL A 39 -7.114 1.037 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.336 0.990 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.802 -0.084 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.086 1.660 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.682 2.355 -5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.442 2.252 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.466 -0.571 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.798 -0.071 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.612 -1.500 -3.516 1.00 0.00 H new ATOM 556 N GLN A 40 -9.773 -1.531 -3.437 1.00 0.00 N ATOM 557 CA GLN A 40 -10.237 -2.874 -3.110 1.00 0.00 C ATOM 558 C GLN A 40 -9.839 -3.867 -4.197 1.00 0.00 C ATOM 559 O GLN A 40 -9.832 -3.536 -5.382 1.00 0.00 O ATOM 560 CB GLN A 40 -11.756 -2.881 -2.928 1.00 0.00 C ATOM 561 CG GLN A 40 -12.522 -3.152 -4.214 1.00 0.00 C ATOM 562 CD GLN A 40 -13.998 -2.825 -4.093 1.00 0.00 C ATOM 563 OE1 GLN A 40 -14.553 -2.097 -4.916 1.00 0.00 O ATOM 564 NE2 GLN A 40 -14.641 -3.364 -3.063 1.00 0.00 N ATOM 0 H GLN A 40 -10.205 -1.126 -4.267 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.765 -3.177 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.022 -3.638 -2.190 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.070 -1.918 -2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.088 -2.563 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.407 -4.201 -4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.140 -3.962 -2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.635 -3.180 -2.930 1.00 0.00 H new ATOM 573 N ARG A 41 -9.508 -5.087 -3.784 1.00 0.00 N ATOM 574 CA ARG A 41 -9.106 -6.128 -4.722 1.00 0.00 C ATOM 575 C ARG A 41 -10.322 -6.888 -5.243 1.00 0.00 C ATOM 576 O ARG A 41 -11.288 -7.135 -4.520 1.00 0.00 O ATOM 577 CB ARG A 41 -8.131 -7.099 -4.053 1.00 0.00 C ATOM 578 CG ARG A 41 -6.730 -6.535 -3.885 1.00 0.00 C ATOM 579 CD ARG A 41 -6.599 -5.745 -2.594 1.00 0.00 C ATOM 580 NE ARG A 41 -5.203 -5.480 -2.253 1.00 0.00 N ATOM 581 CZ ARG A 41 -4.445 -4.596 -2.892 1.00 0.00 C ATOM 582 NH1 ARG A 41 -4.945 -3.896 -3.901 1.00 0.00 N ATOM 583 NH2 ARG A 41 -3.184 -4.412 -2.524 1.00 0.00 N ATOM 0 H ARG A 41 -9.510 -5.378 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.609 -5.650 -5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.522 -7.376 -3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.077 -8.013 -4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.006 -7.350 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.492 -5.892 -4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.134 -4.800 -2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.072 -6.297 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.788 -6.003 -1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.914 -4.036 -4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.361 -3.218 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.795 -4.950 -1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.603 -3.733 -3.016 1.00 0.00 H new ATOM 698 N LEU A 50 -11.566 -7.117 -0.197 1.00 0.00 N ATOM 699 CA LEU A 50 -11.483 -6.221 0.952 1.00 0.00 C ATOM 700 C LEU A 50 -10.880 -4.879 0.554 1.00 0.00 C ATOM 701 O LEU A 50 -10.285 -4.748 -0.515 1.00 0.00 O ATOM 702 CB LEU A 50 -10.648 -6.860 2.062 1.00 0.00 C ATOM 703 CG LEU A 50 -11.403 -7.769 3.034 1.00 0.00 C ATOM 704 CD1 LEU A 50 -12.281 -6.945 3.962 1.00 0.00 C ATOM 705 CD2 LEU A 50 -12.237 -8.787 2.271 1.00 0.00 C ATOM 0 HA LEU A 50 -12.494 -6.048 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.849 -7.440 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.173 -6.064 2.635 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.674 -8.307 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.810 -7.608 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.660 -6.255 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.003 -6.380 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.767 -9.426 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.958 -8.267 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.584 -9.399 1.648 1.00 0.00 H new ATOM 717 N TRP A 51 -11.037 -3.885 1.422 1.00 0.00 N ATOM 718 CA TRP A 51 -10.505 -2.552 1.161 1.00 0.00 C ATOM 719 C TRP A 51 -9.153 -2.363 1.840 1.00 0.00 C ATOM 720 O TRP A 51 -8.981 -2.712 3.008 1.00 0.00 O ATOM 721 CB TRP A 51 -11.488 -1.485 1.647 1.00 0.00 C ATOM 722 CG TRP A 51 -12.804 -1.521 0.933 1.00 0.00 C ATOM 723 CD1 TRP A 51 -13.893 -2.279 1.259 1.00 0.00 C ATOM 724 CD2 TRP A 51 -13.171 -0.769 -0.228 1.00 0.00 C ATOM 725 NE1 TRP A 51 -14.914 -2.044 0.370 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.497 -1.121 -0.552 1.00 0.00 C ATOM 727 CE3 TRP A 51 -12.510 0.169 -1.026 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -15.169 -0.567 -1.638 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -13.179 0.717 -2.104 1.00 0.00 C ATOM 730 CH2 TRP A 51 -14.497 0.349 -2.402 1.00 0.00 C ATOM 0 H TRP A 51 -11.528 -3.977 2.311 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.367 -2.446 0.085 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.659 -1.618 2.715 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -11.039 -0.501 1.516 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -13.944 -2.963 2.093 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -15.833 -2.485 0.393 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -11.494 0.460 -0.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -16.185 -0.850 -1.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -12.677 1.442 -2.728 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -14.993 0.796 -3.251 1.00 0.00 H new ATOM 741 N GLU A 52 -8.197 -1.809 1.102 1.00 0.00 N ATOM 742 CA GLU A 52 -6.860 -1.575 1.634 1.00 0.00 C ATOM 743 C GLU A 52 -6.033 -0.724 0.675 1.00 0.00 C ATOM 744 O GLU A 52 -6.283 -0.706 -0.530 1.00 0.00 O ATOM 745 CB GLU A 52 -6.150 -2.905 1.894 1.00 0.00 C ATOM 746 CG GLU A 52 -6.274 -3.896 0.747 1.00 0.00 C ATOM 747 CD GLU A 52 -6.087 -5.332 1.194 1.00 0.00 C ATOM 748 OE1 GLU A 52 -7.042 -5.907 1.757 1.00 0.00 O ATOM 749 OE2 GLU A 52 -4.986 -5.881 0.980 1.00 0.00 O ATOM 0 H GLU A 52 -8.323 -1.514 0.134 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.962 -1.035 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.094 -2.712 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.560 -3.355 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.255 -3.789 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.533 -3.658 -0.016 1.00 0.00 H new ATOM 756 N PHE A 53 -5.048 -0.018 1.219 1.00 0.00 N ATOM 757 CA PHE A 53 -4.184 0.838 0.414 1.00 0.00 C ATOM 758 C PHE A 53 -3.537 0.045 -0.719 1.00 0.00 C ATOM 759 O PHE A 53 -3.303 -1.158 -0.613 1.00 0.00 O ATOM 760 CB PHE A 53 -3.102 1.475 1.288 1.00 0.00 C ATOM 761 CG PHE A 53 -3.625 2.019 2.588 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.762 2.810 2.615 1.00 0.00 C ATOM 763 CD2 PHE A 53 -2.978 1.740 3.780 1.00 0.00 C ATOM 764 CE1 PHE A 53 -5.246 3.311 3.809 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.458 2.239 4.977 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.592 3.026 4.991 1.00 0.00 C ATOM 0 H PHE A 53 -4.828 -0.022 2.215 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.799 1.626 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.332 0.733 1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.625 2.282 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.276 3.038 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.089 1.126 3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.135 3.925 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.946 2.013 5.901 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.967 3.418 5.925 1.00 0.00 H new ATOM 776 N PRO A 54 -3.241 0.736 -1.830 1.00 0.00 N ATOM 777 CA PRO A 54 -2.619 0.119 -3.004 1.00 0.00 C ATOM 778 C PRO A 54 -1.169 -0.280 -2.748 1.00 0.00 C ATOM 779 O PRO A 54 -0.441 0.413 -2.036 1.00 0.00 O ATOM 780 CB PRO A 54 -2.692 1.220 -4.065 1.00 0.00 C ATOM 781 CG PRO A 54 -2.742 2.491 -3.289 1.00 0.00 C ATOM 782 CD PRO A 54 -3.493 2.175 -2.025 1.00 0.00 C ATOM 0 HA PRO A 54 -3.121 -0.804 -3.294 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.824 1.193 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.575 1.105 -4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.738 2.852 -3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.244 3.275 -3.856 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.129 2.764 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.557 2.387 -2.126 1.00 0.00 H new ATOM 790 N SER A 55 -0.755 -1.399 -3.334 1.00 0.00 N ATOM 791 CA SER A 55 0.607 -1.891 -3.167 1.00 0.00 C ATOM 792 C SER A 55 1.101 -2.567 -4.442 1.00 0.00 C ATOM 793 O SER A 55 0.325 -2.825 -5.362 1.00 0.00 O ATOM 794 CB SER A 55 0.677 -2.873 -1.996 1.00 0.00 C ATOM 795 OG SER A 55 0.189 -4.149 -2.371 1.00 0.00 O ATOM 0 H SER A 55 -1.344 -1.982 -3.929 1.00 0.00 H new ATOM 0 HA SER A 55 1.252 -1.038 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.708 -2.961 -1.652 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.094 -2.488 -1.159 1.00 0.00 H new ATOM 0 HG SER A 55 0.246 -4.759 -1.606 1.00 0.00 H new ATOM 801 N VAL A 56 2.398 -2.853 -4.489 1.00 0.00 N ATOM 802 CA VAL A 56 2.997 -3.500 -5.650 1.00 0.00 C ATOM 803 C VAL A 56 3.955 -4.609 -5.228 1.00 0.00 C ATOM 804 O VAL A 56 4.283 -4.746 -4.049 1.00 0.00 O ATOM 805 CB VAL A 56 3.756 -2.488 -6.527 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.893 -1.265 -6.802 1.00 0.00 C ATOM 807 CG2 VAL A 56 5.066 -2.087 -5.867 1.00 0.00 C ATOM 0 H VAL A 56 3.054 -2.647 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 56 2.180 -3.930 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 56 3.986 -2.963 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.447 -0.561 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.984 -1.570 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.629 -0.787 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.589 -1.371 -6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.861 -1.631 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.689 -2.971 -5.728 1.00 0.00 H new ATOM 817 N THR A 57 4.402 -5.399 -6.199 1.00 0.00 N ATOM 818 CA THR A 57 5.322 -6.497 -5.929 1.00 0.00 C ATOM 819 C THR A 57 6.565 -6.004 -5.197 1.00 0.00 C ATOM 820 O THR A 57 6.900 -4.821 -5.251 1.00 0.00 O ATOM 821 CB THR A 57 5.750 -7.203 -7.228 1.00 0.00 C ATOM 822 OG1 THR A 57 6.806 -8.132 -6.956 1.00 0.00 O ATOM 823 CG2 THR A 57 6.212 -6.193 -8.266 1.00 0.00 C ATOM 0 H THR A 57 4.142 -5.299 -7.180 1.00 0.00 H new ATOM 0 HA THR A 57 4.790 -7.208 -5.297 1.00 0.00 H new ATOM 0 HB THR A 57 4.888 -7.739 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.071 -8.578 -7.787 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.509 -6.716 -9.175 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.397 -5.506 -8.493 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.061 -5.632 -7.875 1.00 0.00 H new ATOM 831 N TRP A 58 7.246 -6.919 -4.516 1.00 0.00 N ATOM 832 CA TRP A 58 8.454 -6.576 -3.774 1.00 0.00 C ATOM 833 C TRP A 58 9.654 -6.464 -4.709 1.00 0.00 C ATOM 834 O TRP A 58 9.804 -7.259 -5.635 1.00 0.00 O ATOM 835 CB TRP A 58 8.729 -7.625 -2.694 1.00 0.00 C ATOM 836 CG TRP A 58 10.010 -7.391 -1.951 1.00 0.00 C ATOM 837 CD1 TRP A 58 10.198 -6.559 -0.885 1.00 0.00 C ATOM 838 CD2 TRP A 58 11.280 -7.995 -2.221 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.509 -6.609 -0.475 1.00 0.00 N ATOM 840 CE2 TRP A 58 12.193 -7.484 -1.278 1.00 0.00 C ATOM 841 CE3 TRP A 58 11.733 -8.919 -3.166 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.531 -7.866 -1.256 1.00 0.00 C ATOM 843 CZ3 TRP A 58 13.062 -9.298 -3.142 1.00 0.00 C ATOM 844 CH2 TRP A 58 13.948 -8.773 -2.193 1.00 0.00 C ATOM 0 H TRP A 58 6.983 -7.903 -4.462 1.00 0.00 H new ATOM 0 HA TRP A 58 8.296 -5.608 -3.299 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.902 -7.631 -1.984 1.00 0.00 H new ATOM 0 HB3 TRP A 58 8.760 -8.612 -3.156 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.430 -5.951 -0.431 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.908 -6.081 0.301 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.057 -9.330 -3.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 14.216 -7.461 -0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.423 -10.011 -3.868 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.980 -9.090 -2.200 1.00 0.00 H new ATOM 855 N GLU A 59 10.503 -5.473 -4.457 1.00 0.00 N ATOM 856 CA GLU A 59 11.689 -5.259 -5.279 1.00 0.00 C ATOM 857 C GLU A 59 12.956 -5.312 -4.429 1.00 0.00 C ATOM 858 O GLU A 59 13.011 -4.786 -3.317 1.00 0.00 O ATOM 859 CB GLU A 59 11.601 -3.913 -5.999 1.00 0.00 C ATOM 860 CG GLU A 59 10.593 -3.894 -7.135 1.00 0.00 C ATOM 861 CD GLU A 59 11.105 -4.589 -8.382 1.00 0.00 C ATOM 862 OE1 GLU A 59 11.834 -5.592 -8.245 1.00 0.00 O ATOM 863 OE2 GLU A 59 10.777 -4.127 -9.494 1.00 0.00 O ATOM 0 H GLU A 59 10.393 -4.807 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 59 11.735 -6.057 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.336 -3.141 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.584 -3.657 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.672 -4.377 -6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.343 -2.861 -7.376 1.00 0.00 H new ATOM 870 N PRO A 60 14.000 -5.964 -4.964 1.00 0.00 N ATOM 871 CA PRO A 60 15.286 -6.101 -4.273 1.00 0.00 C ATOM 872 C PRO A 60 16.035 -4.777 -4.175 1.00 0.00 C ATOM 873 O PRO A 60 16.734 -4.520 -3.195 1.00 0.00 O ATOM 874 CB PRO A 60 16.057 -7.089 -5.152 1.00 0.00 C ATOM 875 CG PRO A 60 15.457 -6.937 -6.507 1.00 0.00 C ATOM 876 CD PRO A 60 14.006 -6.614 -6.285 1.00 0.00 C ATOM 0 HA PRO A 60 15.162 -6.434 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.123 -6.861 -5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.953 -8.110 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.952 -6.143 -7.066 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.568 -7.853 -7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.618 -5.953 -7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.388 -7.512 -6.294 1.00 0.00 H new ATOM 884 N SER A 61 15.886 -3.940 -5.197 1.00 0.00 N ATOM 885 CA SER A 61 16.552 -2.644 -5.227 1.00 0.00 C ATOM 886 C SER A 61 15.682 -1.570 -4.580 1.00 0.00 C ATOM 887 O SER A 61 14.490 -1.467 -4.868 1.00 0.00 O ATOM 888 CB SER A 61 16.883 -2.249 -6.668 1.00 0.00 C ATOM 889 OG SER A 61 17.901 -1.265 -6.706 1.00 0.00 O ATOM 0 H SER A 61 15.310 -4.137 -6.015 1.00 0.00 H new ATOM 0 HA SER A 61 17.479 -2.727 -4.659 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.203 -3.129 -7.225 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.987 -1.869 -7.159 1.00 0.00 H new ATOM 0 HG SER A 61 18.095 -1.031 -7.638 1.00 0.00 H new ATOM 895 N GLU A 62 16.288 -0.773 -3.705 1.00 0.00 N ATOM 896 CA GLU A 62 15.568 0.292 -3.018 1.00 0.00 C ATOM 897 C GLU A 62 14.945 1.262 -4.017 1.00 0.00 C ATOM 898 O GLU A 62 14.058 2.042 -3.670 1.00 0.00 O ATOM 899 CB GLU A 62 16.508 1.047 -2.075 1.00 0.00 C ATOM 900 CG GLU A 62 15.805 1.660 -0.876 1.00 0.00 C ATOM 901 CD GLU A 62 16.744 2.459 0.006 1.00 0.00 C ATOM 902 OE1 GLU A 62 17.396 3.391 -0.513 1.00 0.00 O ATOM 903 OE2 GLU A 62 16.829 2.155 1.213 1.00 0.00 O ATOM 0 H GLU A 62 17.274 -0.845 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 62 14.768 -0.164 -2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.281 0.364 -1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.011 1.837 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.000 2.308 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.344 0.868 -0.286 1.00 0.00 H new ATOM 910 N GLN A 63 15.417 1.206 -5.258 1.00 0.00 N ATOM 911 CA GLN A 63 14.908 2.081 -6.309 1.00 0.00 C ATOM 912 C GLN A 63 13.772 1.409 -7.073 1.00 0.00 C ATOM 913 O GLN A 63 12.709 1.998 -7.272 1.00 0.00 O ATOM 914 CB GLN A 63 16.032 2.464 -7.273 1.00 0.00 C ATOM 915 CG GLN A 63 15.544 3.180 -8.522 1.00 0.00 C ATOM 916 CD GLN A 63 16.629 4.007 -9.182 1.00 0.00 C ATOM 917 OE1 GLN A 63 17.587 4.427 -8.531 1.00 0.00 O ATOM 918 NE2 GLN A 63 16.486 4.245 -10.480 1.00 0.00 N ATOM 0 H GLN A 63 16.150 0.565 -5.561 1.00 0.00 H new ATOM 0 HA GLN A 63 14.520 2.985 -5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.744 3.104 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.570 1.563 -7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.169 2.445 -9.234 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.707 3.828 -8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.676 3.877 -10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.186 4.795 -10.978 1.00 0.00 H new ATOM 927 N LEU A 64 14.004 0.172 -7.500 1.00 0.00 N ATOM 928 CA LEU A 64 13.000 -0.582 -8.244 1.00 0.00 C ATOM 929 C LEU A 64 11.681 -0.632 -7.481 1.00 0.00 C ATOM 930 O LEU A 64 10.606 -0.571 -8.076 1.00 0.00 O ATOM 931 CB LEU A 64 13.499 -2.001 -8.518 1.00 0.00 C ATOM 932 CG LEU A 64 14.352 -2.182 -9.774 1.00 0.00 C ATOM 933 CD1 LEU A 64 15.335 -1.031 -9.922 1.00 0.00 C ATOM 934 CD2 LEU A 64 15.088 -3.512 -9.733 1.00 0.00 C ATOM 0 H LEU A 64 14.878 -0.330 -7.344 1.00 0.00 H new ATOM 0 HA LEU A 64 12.830 -0.074 -9.193 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.080 -2.333 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.634 -2.661 -8.592 1.00 0.00 H new ATOM 0 HG LEU A 64 13.691 -2.183 -10.641 1.00 0.00 H new ATOM 0 HD11 LEU A 64 15.933 -1.177 -10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.787 -0.092 -9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.990 -0.998 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.690 -3.623 -10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.737 -3.542 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.365 -4.326 -9.677 1.00 0.00 H new ATOM 946 N GLN A 65 11.772 -0.743 -6.159 1.00 0.00 N ATOM 947 CA GLN A 65 10.585 -0.800 -5.314 1.00 0.00 C ATOM 948 C GLN A 65 9.778 0.490 -5.421 1.00 0.00 C ATOM 949 O GLN A 65 8.597 0.468 -5.769 1.00 0.00 O ATOM 950 CB GLN A 65 10.982 -1.048 -3.858 1.00 0.00 C ATOM 951 CG GLN A 65 9.899 -1.739 -3.042 1.00 0.00 C ATOM 952 CD GLN A 65 8.502 -1.320 -3.454 1.00 0.00 C ATOM 953 OE1 GLN A 65 7.943 -0.366 -2.914 1.00 0.00 O ATOM 954 NE2 GLN A 65 7.930 -2.035 -4.415 1.00 0.00 N ATOM 0 H GLN A 65 12.655 -0.795 -5.651 1.00 0.00 H new ATOM 0 HA GLN A 65 9.963 -1.626 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.886 -1.656 -3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.226 -0.095 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.998 -2.819 -3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.045 -1.513 -1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.431 -2.818 -4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.990 -1.801 -4.734 1.00 0.00 H new ATOM 963 N ARG A 66 10.423 1.612 -5.120 1.00 0.00 N ATOM 964 CA ARG A 66 9.764 2.912 -5.180 1.00 0.00 C ATOM 965 C ARG A 66 9.230 3.186 -6.583 1.00 0.00 C ATOM 966 O ARG A 66 8.095 3.633 -6.751 1.00 0.00 O ATOM 967 CB ARG A 66 10.736 4.020 -4.768 1.00 0.00 C ATOM 968 CG ARG A 66 11.108 3.985 -3.295 1.00 0.00 C ATOM 969 CD ARG A 66 12.228 4.965 -2.980 1.00 0.00 C ATOM 970 NE ARG A 66 11.746 6.342 -2.915 1.00 0.00 N ATOM 971 CZ ARG A 66 12.546 7.393 -2.769 1.00 0.00 C ATOM 972 NH1 ARG A 66 13.858 7.225 -2.675 1.00 0.00 N ATOM 973 NH2 ARG A 66 12.033 8.616 -2.719 1.00 0.00 N ATOM 0 H ARG A 66 11.401 1.648 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 66 8.924 2.898 -4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.644 3.936 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.290 4.988 -4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.233 4.225 -2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.417 2.977 -3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.688 4.696 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.003 4.887 -3.742 1.00 0.00 H new ATOM 0 HE ARG A 66 10.742 6.506 -2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.256 6.287 -2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.469 8.034 -2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.024 8.749 -2.793 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.647 9.423 -2.607 1.00 0.00 H new ATOM 987 N LYS A 67 10.055 2.913 -7.589 1.00 0.00 N ATOM 988 CA LYS A 67 9.667 3.129 -8.977 1.00 0.00 C ATOM 989 C LYS A 67 8.324 2.470 -9.276 1.00 0.00 C ATOM 990 O LYS A 67 7.332 3.150 -9.531 1.00 0.00 O ATOM 991 CB LYS A 67 10.739 2.577 -9.919 1.00 0.00 C ATOM 992 CG LYS A 67 11.947 3.485 -10.067 1.00 0.00 C ATOM 993 CD LYS A 67 12.702 3.204 -11.354 1.00 0.00 C ATOM 994 CE LYS A 67 13.015 1.723 -11.506 1.00 0.00 C ATOM 995 NZ LYS A 67 13.837 1.451 -12.717 1.00 0.00 N ATOM 0 H LYS A 67 10.997 2.541 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 67 9.568 4.203 -9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.069 1.606 -9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.297 2.412 -10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.624 4.526 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.614 3.347 -9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.110 3.541 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.630 3.776 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.545 1.371 -10.621 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.084 1.159 -11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.029 0.431 -12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.321 1.763 -13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.737 1.968 -12.649 1.00 0.00 H new ATOM 1009 N ALA A 68 8.301 1.141 -9.240 1.00 0.00 N ATOM 1010 CA ALA A 68 7.079 0.391 -9.503 1.00 0.00 C ATOM 1011 C ALA A 68 5.993 0.740 -8.491 1.00 0.00 C ATOM 1012 O ALA A 68 4.814 0.831 -8.837 1.00 0.00 O ATOM 1013 CB ALA A 68 7.363 -1.103 -9.483 1.00 0.00 C ATOM 0 H ALA A 68 9.115 0.562 -9.031 1.00 0.00 H new ATOM 0 HA ALA A 68 6.717 0.667 -10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.442 -1.651 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.100 -1.344 -10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.751 -1.387 -8.505 1.00 0.00 H new ATOM 1019 N LEU A 69 6.396 0.932 -7.240 1.00 0.00 N ATOM 1020 CA LEU A 69 5.456 1.270 -6.177 1.00 0.00 C ATOM 1021 C LEU A 69 4.543 2.415 -6.601 1.00 0.00 C ATOM 1022 O LEU A 69 3.341 2.400 -6.328 1.00 0.00 O ATOM 1023 CB LEU A 69 6.212 1.650 -4.902 1.00 0.00 C ATOM 1024 CG LEU A 69 5.376 2.283 -3.790 1.00 0.00 C ATOM 1025 CD1 LEU A 69 4.219 1.374 -3.408 1.00 0.00 C ATOM 1026 CD2 LEU A 69 6.244 2.584 -2.576 1.00 0.00 C ATOM 0 H LEU A 69 7.367 0.859 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 69 4.840 0.393 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.689 0.754 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.009 2.343 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 69 4.965 3.222 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.635 1.842 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.583 1.209 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.608 0.418 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.632 3.034 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.684 1.658 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.038 3.275 -2.859 1.00 0.00 H new ATOM 1038 N LEU A 70 5.119 3.407 -7.271 1.00 0.00 N ATOM 1039 CA LEU A 70 4.357 4.561 -7.735 1.00 0.00 C ATOM 1040 C LEU A 70 3.490 4.194 -8.936 1.00 0.00 C ATOM 1041 O LEU A 70 2.302 4.513 -8.975 1.00 0.00 O ATOM 1042 CB LEU A 70 5.302 5.706 -8.105 1.00 0.00 C ATOM 1043 CG LEU A 70 6.017 6.389 -6.939 1.00 0.00 C ATOM 1044 CD1 LEU A 70 6.975 7.453 -7.450 1.00 0.00 C ATOM 1045 CD2 LEU A 70 5.009 6.995 -5.974 1.00 0.00 C ATOM 0 H LEU A 70 6.111 3.435 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 70 3.704 4.884 -6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.056 5.321 -8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.732 6.460 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 70 6.595 5.636 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.475 7.928 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.719 6.991 -8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.419 8.203 -8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.537 7.476 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.403 7.734 -6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.364 6.209 -5.581 1.00 0.00 H new ATOM 1057 N GLN A 71 4.093 3.521 -9.910 1.00 0.00 N ATOM 1058 CA GLN A 71 3.376 3.109 -11.111 1.00 0.00 C ATOM 1059 C GLN A 71 1.943 2.707 -10.778 1.00 0.00 C ATOM 1060 O GLN A 71 0.992 3.221 -11.365 1.00 0.00 O ATOM 1061 CB GLN A 71 4.100 1.944 -11.789 1.00 0.00 C ATOM 1062 CG GLN A 71 5.319 2.371 -12.592 1.00 0.00 C ATOM 1063 CD GLN A 71 5.661 1.392 -13.698 1.00 0.00 C ATOM 1064 OE1 GLN A 71 6.744 0.807 -13.711 1.00 0.00 O ATOM 1065 NE2 GLN A 71 4.737 1.210 -14.634 1.00 0.00 N ATOM 0 H GLN A 71 5.076 3.249 -9.891 1.00 0.00 H new ATOM 0 HA GLN A 71 3.347 3.957 -11.795 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.409 1.227 -11.029 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.403 1.428 -12.449 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.138 3.354 -13.026 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.174 2.471 -11.923 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.853 1.716 -14.583 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.911 0.564 -15.404 1.00 0.00 H new ATOM 1074 N GLU A 72 1.798 1.784 -9.831 1.00 0.00 N ATOM 1075 CA GLU A 72 0.480 1.312 -9.421 1.00 0.00 C ATOM 1076 C GLU A 72 -0.385 2.471 -8.931 1.00 0.00 C ATOM 1077 O GLU A 72 -1.486 2.695 -9.436 1.00 0.00 O ATOM 1078 CB GLU A 72 0.610 0.259 -8.320 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.719 -0.154 -7.711 1.00 0.00 C ATOM 1080 CD GLU A 72 -1.530 -1.046 -8.630 1.00 0.00 C ATOM 1081 OE1 GLU A 72 -0.949 -1.994 -9.200 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -2.745 -0.797 -8.779 1.00 0.00 O ATOM 0 H GLU A 72 2.576 1.349 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.002 0.862 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.102 -0.623 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.256 0.647 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.537 -0.676 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.298 0.738 -7.473 1.00 0.00 H new ATOM 1089 N LEU A 73 0.121 3.203 -7.946 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.604 4.339 -7.387 1.00 0.00 C ATOM 1091 C LEU A 73 -1.180 5.215 -8.494 1.00 0.00 C ATOM 1092 O LEU A 73 -2.357 5.571 -8.466 1.00 0.00 O ATOM 1093 CB LEU A 73 0.320 5.169 -6.492 1.00 0.00 C ATOM 1094 CG LEU A 73 0.469 4.684 -5.050 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.612 5.412 -4.358 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.832 4.880 -4.284 1.00 0.00 C ATOM 0 H LEU A 73 1.030 3.031 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.429 3.953 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.309 5.195 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.050 6.194 -6.473 1.00 0.00 H new ATOM 0 HG LEU A 73 0.700 3.619 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.703 5.054 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.542 5.221 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.410 6.483 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.707 4.529 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.094 5.938 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.628 4.313 -4.767 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.342 5.558 -9.467 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.770 6.391 -10.584 1.00 0.00 C ATOM 1110 C GLN A 74 -2.006 5.806 -11.259 1.00 0.00 C ATOM 1111 O GLN A 74 -2.934 6.533 -11.614 1.00 0.00 O ATOM 1112 CB GLN A 74 0.362 6.535 -11.604 1.00 0.00 C ATOM 1113 CG GLN A 74 1.639 7.114 -11.017 1.00 0.00 C ATOM 1114 CD GLN A 74 2.861 6.807 -11.860 1.00 0.00 C ATOM 1115 OE1 GLN A 74 2.872 7.048 -13.067 1.00 0.00 O ATOM 1116 NE2 GLN A 74 3.897 6.271 -11.227 1.00 0.00 N ATOM 0 H GLN A 74 0.636 5.272 -9.504 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.025 7.376 -10.192 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.580 5.557 -12.033 1.00 0.00 H new ATOM 0 HB3 GLN A 74 0.025 7.174 -12.421 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.532 8.194 -10.919 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.786 6.716 -10.013 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.844 6.088 -10.225 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.747 6.042 -11.743 1.00 0.00 H new ATOM 1125 N ARG A 75 -2.011 4.489 -11.432 1.00 0.00 N ATOM 1126 CA ARG A 75 -3.133 3.806 -12.066 1.00 0.00 C ATOM 1127 C ARG A 75 -4.454 4.214 -11.420 1.00 0.00 C ATOM 1128 O ARG A 75 -5.484 4.295 -12.089 1.00 0.00 O ATOM 1129 CB ARG A 75 -2.955 2.289 -11.970 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.672 1.786 -12.612 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.557 0.273 -12.514 1.00 0.00 C ATOM 1132 NE ARG A 75 -2.406 -0.405 -13.489 1.00 0.00 N ATOM 1133 CZ ARG A 75 -2.755 -1.684 -13.398 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -2.329 -2.419 -12.380 1.00 0.00 N ATOM 1135 NH2 ARG A 75 -3.530 -2.229 -14.326 1.00 0.00 N ATOM 0 H ARG A 75 -1.251 3.873 -11.142 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.156 4.097 -13.116 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.966 1.996 -10.920 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.805 1.801 -12.446 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.645 2.087 -13.659 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.814 2.250 -12.125 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.519 -0.022 -12.670 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.832 -0.047 -11.509 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.750 0.133 -14.284 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.732 -2.003 -11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.598 -3.401 -12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.859 -1.666 -15.111 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.797 -3.211 -14.255 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.414 4.471 -10.117 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.608 4.871 -9.382 1.00 0.00 C ATOM 1151 C TRP A 76 -5.805 6.382 -9.443 1.00 0.00 C ATOM 1152 O TRP A 76 -6.710 6.872 -10.118 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.510 4.417 -7.924 1.00 0.00 C ATOM 1154 CG TRP A 76 -5.219 2.953 -7.777 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -4.036 2.387 -7.400 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -6.128 1.872 -8.007 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -4.154 1.019 -7.380 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.429 0.678 -7.748 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.466 1.796 -8.402 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -6.023 -0.576 -7.875 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -8.054 0.552 -8.529 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.334 -0.620 -8.265 1.00 0.00 C ATOM 0 H TRP A 76 -3.569 4.410 -9.549 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.469 4.392 -9.849 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.727 4.988 -7.425 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.446 4.647 -7.415 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -3.138 2.935 -7.153 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.413 0.363 -7.132 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -8.031 2.694 -8.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.469 -1.481 -7.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -9.087 0.482 -8.837 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.823 -1.577 -8.371 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.951 7.115 -8.736 1.00 0.00 N ATOM 1174 CA ALA A 77 -5.032 8.570 -8.712 1.00 0.00 C ATOM 1175 C ALA A 77 -4.511 9.169 -10.014 1.00 0.00 C ATOM 1176 O ALA A 77 -5.280 9.688 -10.822 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.254 9.122 -7.527 1.00 0.00 C ATOM 0 H ALA A 77 -4.195 6.725 -8.173 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.080 8.850 -8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.323 10.210 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.672 8.727 -6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.208 8.825 -7.608 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.198 9.094 -10.213 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.597 9.633 -11.418 1.00 0.00 C ATOM 1185 C GLY A 78 -1.221 10.217 -11.168 1.00 0.00 C ATOM 1186 O GLY A 78 -0.222 9.500 -11.099 1.00 0.00 O ATOM 0 H GLY A 78 -2.540 8.669 -9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.523 8.845 -12.167 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.247 10.405 -11.830 1.00 0.00 H new ATOM 1190 N PRO A 79 -1.154 11.549 -11.032 1.00 0.00 N ATOM 1191 CA PRO A 79 0.105 12.258 -10.788 1.00 0.00 C ATOM 1192 C PRO A 79 0.662 11.989 -9.394 1.00 0.00 C ATOM 1193 O PRO A 79 0.117 12.460 -8.395 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.283 13.731 -10.933 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.739 13.772 -10.618 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.304 12.466 -11.103 1.00 0.00 C ATOM 0 HA PRO A 79 0.890 11.940 -11.474 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.288 14.360 -10.250 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.086 14.095 -11.941 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.903 13.895 -9.548 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.222 14.614 -11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.128 12.127 -10.475 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.690 12.548 -12.119 1.00 0.00 H new ATOM 1204 N LEU A 80 1.750 11.230 -9.333 1.00 0.00 N ATOM 1205 CA LEU A 80 2.382 10.898 -8.061 1.00 0.00 C ATOM 1206 C LEU A 80 3.832 11.369 -8.033 1.00 0.00 C ATOM 1207 O LEU A 80 4.591 11.176 -8.983 1.00 0.00 O ATOM 1208 CB LEU A 80 2.319 9.388 -7.816 1.00 0.00 C ATOM 1209 CG LEU A 80 1.057 8.873 -7.123 1.00 0.00 C ATOM 1210 CD1 LEU A 80 0.975 9.404 -5.700 1.00 0.00 C ATOM 1211 CD2 LEU A 80 -0.183 9.264 -7.913 1.00 0.00 C ATOM 0 H LEU A 80 2.213 10.832 -10.150 1.00 0.00 H new ATOM 0 HA LEU A 80 1.838 11.412 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.416 8.880 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.182 9.101 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 80 1.107 7.785 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.071 9.027 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.848 9.073 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.948 10.493 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.071 8.889 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.239 10.350 -7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.128 8.834 -8.913 1.00 0.00 H new ATOM 1223 N PRO A 81 4.228 12.000 -6.919 1.00 0.00 N ATOM 1224 CA PRO A 81 5.591 12.510 -6.739 1.00 0.00 C ATOM 1225 C PRO A 81 6.613 11.389 -6.585 1.00 0.00 C ATOM 1226 O PRO A 81 6.264 10.209 -6.620 1.00 0.00 O ATOM 1227 CB PRO A 81 5.496 13.329 -5.449 1.00 0.00 C ATOM 1228 CG PRO A 81 4.354 12.730 -4.703 1.00 0.00 C ATOM 1229 CD PRO A 81 3.376 12.265 -5.746 1.00 0.00 C ATOM 0 HA PRO A 81 5.928 13.086 -7.601 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.420 13.269 -4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.320 14.384 -5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.687 11.898 -4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.896 13.462 -4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.843 11.370 -5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.624 13.025 -5.959 1.00 0.00 H new ATOM 1237 N ALA A 82 7.877 11.766 -6.413 1.00 0.00 N ATOM 1238 CA ALA A 82 8.949 10.791 -6.252 1.00 0.00 C ATOM 1239 C ALA A 82 9.746 11.060 -4.980 1.00 0.00 C ATOM 1240 O ALA A 82 9.912 10.175 -4.140 1.00 0.00 O ATOM 1241 CB ALA A 82 9.865 10.810 -7.465 1.00 0.00 C ATOM 0 H ALA A 82 8.183 12.739 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 82 8.499 9.802 -6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.661 10.077 -7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.291 10.564 -8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.301 11.803 -7.576 1.00 0.00 H new ATOM 1247 N THR A 83 10.240 12.287 -4.844 1.00 0.00 N ATOM 1248 CA THR A 83 11.021 12.672 -3.676 1.00 0.00 C ATOM 1249 C THR A 83 10.176 12.622 -2.407 1.00 0.00 C ATOM 1250 O THR A 83 10.685 12.343 -1.321 1.00 0.00 O ATOM 1251 CB THR A 83 11.607 14.087 -3.833 1.00 0.00 C ATOM 1252 OG1 THR A 83 12.379 14.167 -5.036 1.00 0.00 O ATOM 1253 CG2 THR A 83 12.480 14.448 -2.639 1.00 0.00 C ATOM 0 H THR A 83 10.112 13.031 -5.530 1.00 0.00 H new ATOM 0 HA THR A 83 11.838 11.955 -3.593 1.00 0.00 H new ATOM 0 HB THR A 83 10.780 14.795 -3.885 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.747 15.071 -5.129 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.883 15.452 -2.773 1.00 0.00 H new ATOM 0 HG22 THR A 83 11.882 14.415 -1.728 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.301 13.735 -2.560 1.00 0.00 H new ATOM 1261 N HIS A 84 8.883 12.891 -2.553 1.00 0.00 N ATOM 1262 CA HIS A 84 7.966 12.875 -1.418 1.00 0.00 C ATOM 1263 C HIS A 84 7.853 11.472 -0.831 1.00 0.00 C ATOM 1264 O HIS A 84 7.457 11.301 0.323 1.00 0.00 O ATOM 1265 CB HIS A 84 6.586 13.376 -1.843 1.00 0.00 C ATOM 1266 CG HIS A 84 6.536 14.852 -2.095 1.00 0.00 C ATOM 1267 ND1 HIS A 84 5.411 15.616 -1.867 1.00 0.00 N ATOM 1268 CD2 HIS A 84 7.480 15.704 -2.558 1.00 0.00 C ATOM 1269 CE1 HIS A 84 5.666 16.875 -2.179 1.00 0.00 C ATOM 1270 NE2 HIS A 84 6.914 16.954 -2.601 1.00 0.00 N ATOM 0 H HIS A 84 8.446 13.123 -3.445 1.00 0.00 H new ATOM 0 HA HIS A 84 8.364 13.539 -0.651 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.281 12.851 -2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.862 13.123 -1.068 1.00 0.00 H new ATOM 0 HD1 HIS A 84 4.521 15.265 -1.513 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.490 15.448 -2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.972 17.698 -2.102 1.00 0.00 H new ATOM 1279 N LEU A 85 8.202 10.471 -1.632 1.00 0.00 N ATOM 1280 CA LEU A 85 8.139 9.082 -1.192 1.00 0.00 C ATOM 1281 C LEU A 85 9.267 8.768 -0.214 1.00 0.00 C ATOM 1282 O LEU A 85 10.424 9.112 -0.456 1.00 0.00 O ATOM 1283 CB LEU A 85 8.216 8.141 -2.396 1.00 0.00 C ATOM 1284 CG LEU A 85 8.036 6.653 -2.097 1.00 0.00 C ATOM 1285 CD1 LEU A 85 6.727 6.410 -1.362 1.00 0.00 C ATOM 1286 CD2 LEU A 85 8.085 5.840 -3.383 1.00 0.00 C ATOM 0 H LEU A 85 8.531 10.596 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 85 7.188 8.932 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.454 8.441 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.183 8.280 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 85 8.855 6.331 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.617 5.345 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.730 6.961 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.895 6.749 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.955 4.783 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.287 6.166 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.048 5.988 -3.871 1.00 0.00 H new ATOM 1298 N ARG A 86 8.923 8.112 0.889 1.00 0.00 N ATOM 1299 CA ARG A 86 9.906 7.751 1.903 1.00 0.00 C ATOM 1300 C ARG A 86 9.466 6.507 2.668 1.00 0.00 C ATOM 1301 O ARG A 86 8.313 6.398 3.086 1.00 0.00 O ATOM 1302 CB ARG A 86 10.119 8.913 2.874 1.00 0.00 C ATOM 1303 CG ARG A 86 11.156 9.919 2.402 1.00 0.00 C ATOM 1304 CD ARG A 86 11.520 10.902 3.504 1.00 0.00 C ATOM 1305 NE ARG A 86 12.272 12.045 2.992 1.00 0.00 N ATOM 1306 CZ ARG A 86 12.547 13.127 3.713 1.00 0.00 C ATOM 1307 NH1 ARG A 86 12.134 13.212 4.969 1.00 0.00 N ATOM 1308 NH2 ARG A 86 13.237 14.125 3.175 1.00 0.00 N ATOM 0 H ARG A 86 7.970 7.819 1.103 1.00 0.00 H new ATOM 0 HA ARG A 86 10.847 7.532 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.170 9.427 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.425 8.515 3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.052 9.392 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.771 10.463 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.610 11.255 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.110 10.391 4.265 1.00 0.00 H new ATOM 0 HE ARG A 86 12.604 12.011 2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.604 12.446 5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.346 14.043 5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.556 14.061 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.448 14.956 3.728 1.00 0.00 H new ATOM 1322 N HIS A 87 10.392 5.571 2.849 1.00 0.00 N ATOM 1323 CA HIS A 87 10.100 4.335 3.566 1.00 0.00 C ATOM 1324 C HIS A 87 9.990 4.589 5.066 1.00 0.00 C ATOM 1325 O HIS A 87 10.902 5.144 5.681 1.00 0.00 O ATOM 1326 CB HIS A 87 11.184 3.292 3.291 1.00 0.00 C ATOM 1327 CG HIS A 87 11.266 2.222 4.336 1.00 0.00 C ATOM 1328 ND1 HIS A 87 12.272 2.164 5.277 1.00 0.00 N ATOM 1329 CD2 HIS A 87 10.457 1.166 4.586 1.00 0.00 C ATOM 1330 CE1 HIS A 87 12.081 1.118 6.059 1.00 0.00 C ATOM 1331 NE2 HIS A 87 10.986 0.495 5.662 1.00 0.00 N ATOM 0 H HIS A 87 11.351 5.645 2.509 1.00 0.00 H new ATOM 0 HA HIS A 87 9.143 3.955 3.209 1.00 0.00 H new ATOM 0 HB2 HIS A 87 10.993 2.829 2.323 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.149 3.793 3.220 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.563 0.900 4.042 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.713 0.822 6.883 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.596 -0.347 6.085 1.00 0.00 H new ATOM 1340 N LEU A 88 8.870 4.179 5.650 1.00 0.00 N ATOM 1341 CA LEU A 88 8.641 4.364 7.079 1.00 0.00 C ATOM 1342 C LEU A 88 8.350 3.030 7.761 1.00 0.00 C ATOM 1343 O LEU A 88 7.207 2.575 7.794 1.00 0.00 O ATOM 1344 CB LEU A 88 7.479 5.330 7.310 1.00 0.00 C ATOM 1345 CG LEU A 88 7.296 6.423 6.255 1.00 0.00 C ATOM 1346 CD1 LEU A 88 6.141 7.338 6.629 1.00 0.00 C ATOM 1347 CD2 LEU A 88 8.580 7.223 6.088 1.00 0.00 C ATOM 0 H LEU A 88 8.106 3.716 5.157 1.00 0.00 H new ATOM 0 HA LEU A 88 9.547 4.785 7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.557 4.751 7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.617 5.808 8.280 1.00 0.00 H new ATOM 0 HG LEU A 88 7.061 5.947 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.026 8.109 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.222 6.755 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.345 7.807 7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.432 7.996 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.845 7.688 7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.384 6.558 5.773 1.00 0.00 H new ATOM 1359 N GLY A 89 9.392 2.409 8.304 1.00 0.00 N ATOM 1360 CA GLY A 89 9.227 1.134 8.978 1.00 0.00 C ATOM 1361 C GLY A 89 8.726 0.046 8.049 1.00 0.00 C ATOM 1362 O GLY A 89 8.694 0.228 6.833 1.00 0.00 O ATOM 0 H GLY A 89 10.348 2.766 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.181 0.829 9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.527 1.252 9.805 1.00 0.00 H new ATOM 1366 N GLU A 90 8.335 -1.086 8.623 1.00 0.00 N ATOM 1367 CA GLU A 90 7.834 -2.208 7.837 1.00 0.00 C ATOM 1368 C GLU A 90 6.777 -2.988 8.614 1.00 0.00 C ATOM 1369 O GLU A 90 6.573 -2.761 9.806 1.00 0.00 O ATOM 1370 CB GLU A 90 8.985 -3.137 7.445 1.00 0.00 C ATOM 1371 CG GLU A 90 9.267 -4.223 8.470 1.00 0.00 C ATOM 1372 CD GLU A 90 10.689 -4.742 8.393 1.00 0.00 C ATOM 1373 OE1 GLU A 90 11.610 -3.925 8.186 1.00 0.00 O ATOM 1374 OE2 GLU A 90 10.881 -5.968 8.540 1.00 0.00 O ATOM 0 H GLU A 90 8.355 -1.251 9.629 1.00 0.00 H new ATOM 0 HA GLU A 90 7.374 -1.810 6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.754 -3.604 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.887 -2.543 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.081 -3.831 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.574 -5.050 8.318 1.00 0.00 H new ATOM 1381 N VAL A 91 6.108 -3.909 7.927 1.00 0.00 N ATOM 1382 CA VAL A 91 5.072 -4.724 8.550 1.00 0.00 C ATOM 1383 C VAL A 91 5.151 -6.171 8.077 1.00 0.00 C ATOM 1384 O VAL A 91 4.828 -6.478 6.929 1.00 0.00 O ATOM 1385 CB VAL A 91 3.666 -4.173 8.248 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.603 -5.210 8.579 1.00 0.00 C ATOM 1387 CG2 VAL A 91 3.423 -2.884 9.020 1.00 0.00 C ATOM 0 H VAL A 91 6.265 -4.109 6.939 1.00 0.00 H new ATOM 0 HA VAL A 91 5.245 -4.687 9.625 1.00 0.00 H new ATOM 0 HB VAL A 91 3.603 -3.950 7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.616 -4.803 8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.768 -6.105 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.662 -5.467 9.637 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.425 -2.508 8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.505 -3.079 10.089 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.165 -2.140 8.729 1.00 0.00 H new ATOM 1397 N VAL A 92 5.584 -7.058 8.968 1.00 0.00 N ATOM 1398 CA VAL A 92 5.705 -8.473 8.641 1.00 0.00 C ATOM 1399 C VAL A 92 4.807 -9.321 9.535 1.00 0.00 C ATOM 1400 O VAL A 92 5.072 -9.482 10.727 1.00 0.00 O ATOM 1401 CB VAL A 92 7.159 -8.960 8.783 1.00 0.00 C ATOM 1402 CG1 VAL A 92 7.220 -10.480 8.744 1.00 0.00 C ATOM 1403 CG2 VAL A 92 8.032 -8.355 7.693 1.00 0.00 C ATOM 0 H VAL A 92 5.857 -6.821 9.922 1.00 0.00 H new ATOM 0 HA VAL A 92 5.392 -8.586 7.603 1.00 0.00 H new ATOM 0 HB VAL A 92 7.542 -8.630 9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.255 -10.805 8.846 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.629 -10.889 9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.819 -10.836 7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.056 -8.710 7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.653 -8.653 6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.013 -7.268 7.773 1.00 0.00 H new ATOM 1413 N HIS A 93 3.742 -9.864 8.951 1.00 0.00 N ATOM 1414 CA HIS A 93 2.805 -10.698 9.694 1.00 0.00 C ATOM 1415 C HIS A 93 3.090 -12.178 9.460 1.00 0.00 C ATOM 1416 O HIS A 93 3.214 -12.625 8.318 1.00 0.00 O ATOM 1417 CB HIS A 93 1.367 -10.374 9.288 1.00 0.00 C ATOM 1418 CG HIS A 93 0.337 -11.026 10.157 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.146 -10.452 11.313 1.00 0.00 N ATOM 1420 CD2 HIS A 93 -0.305 -12.211 10.030 1.00 0.00 C ATOM 1421 CE1 HIS A 93 -1.038 -11.257 11.863 1.00 0.00 C ATOM 1422 NE2 HIS A 93 -1.154 -12.331 11.103 1.00 0.00 N ATOM 0 H HIS A 93 3.507 -9.741 7.966 1.00 0.00 H new ATOM 0 HA HIS A 93 2.932 -10.485 10.755 1.00 0.00 H new ATOM 0 HB2 HIS A 93 1.225 -9.294 9.318 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.210 -10.687 8.256 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.174 -12.928 9.233 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.580 -11.069 12.778 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.773 -13.121 11.284 1.00 0.00 H new ATOM 1431 N THR A 94 3.196 -12.936 10.547 1.00 0.00 N ATOM 1432 CA THR A 94 3.468 -14.364 10.460 1.00 0.00 C ATOM 1433 C THR A 94 2.188 -15.179 10.611 1.00 0.00 C ATOM 1434 O THR A 94 1.580 -15.206 11.680 1.00 0.00 O ATOM 1435 CB THR A 94 4.476 -14.811 11.535 1.00 0.00 C ATOM 1436 OG1 THR A 94 4.359 -13.977 12.693 1.00 0.00 O ATOM 1437 CG2 THR A 94 5.900 -14.749 11.002 1.00 0.00 C ATOM 0 H THR A 94 3.097 -12.583 11.499 1.00 0.00 H new ATOM 0 HA THR A 94 3.896 -14.543 9.474 1.00 0.00 H new ATOM 0 HB THR A 94 4.251 -15.843 11.806 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.002 -14.269 13.373 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.594 -15.069 11.779 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.994 -15.407 10.138 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.134 -13.726 10.706 1.00 0.00 H new ATOM 1445 N PHE A 95 1.785 -15.844 9.533 1.00 0.00 N ATOM 1446 CA PHE A 95 0.577 -16.660 9.545 1.00 0.00 C ATOM 1447 C PHE A 95 0.869 -18.057 10.083 1.00 0.00 C ATOM 1448 O PHE A 95 1.983 -18.345 10.520 1.00 0.00 O ATOM 1449 CB PHE A 95 -0.014 -16.756 8.137 1.00 0.00 C ATOM 1450 CG PHE A 95 -0.657 -15.481 7.668 1.00 0.00 C ATOM 1451 CD1 PHE A 95 0.087 -14.516 7.010 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.005 -15.248 7.888 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -0.501 -13.342 6.576 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -2.599 -14.077 7.457 1.00 0.00 C ATOM 1455 CZ PHE A 95 -1.845 -13.122 6.802 1.00 0.00 C ATOM 0 H PHE A 95 2.278 -15.834 8.640 1.00 0.00 H new ATOM 0 HA PHE A 95 -0.148 -16.181 10.203 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.775 -17.034 7.438 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.754 -17.556 8.116 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.139 -14.682 6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.598 -15.990 8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.090 -12.599 6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.651 -13.908 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.307 -12.205 6.467 1.00 0.00 H new ATOM 1465 N SER A 96 -0.139 -18.922 10.045 1.00 0.00 N ATOM 1466 CA SER A 96 0.008 -20.289 10.532 1.00 0.00 C ATOM 1467 C SER A 96 1.235 -20.955 9.918 1.00 0.00 C ATOM 1468 O SER A 96 2.187 -21.297 10.620 1.00 0.00 O ATOM 1469 CB SER A 96 -1.246 -21.105 10.209 1.00 0.00 C ATOM 1470 OG SER A 96 -2.238 -20.931 11.205 1.00 0.00 O ATOM 0 H SER A 96 -1.066 -18.701 9.682 1.00 0.00 H new ATOM 0 HA SER A 96 0.140 -20.252 11.613 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.642 -20.801 9.240 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.986 -22.161 10.130 1.00 0.00 H new ATOM 0 HG SER A 96 -3.029 -21.461 10.975 1.00 0.00 H new ATOM 1476 N HIS A 97 1.205 -21.137 8.601 1.00 0.00 N ATOM 1477 CA HIS A 97 2.315 -21.763 7.890 1.00 0.00 C ATOM 1478 C HIS A 97 2.763 -20.898 6.715 1.00 0.00 C ATOM 1479 O HIS A 97 3.223 -21.413 5.695 1.00 0.00 O ATOM 1480 CB HIS A 97 1.912 -23.151 7.393 1.00 0.00 C ATOM 1481 CG HIS A 97 1.275 -23.140 6.038 1.00 0.00 C ATOM 1482 ND1 HIS A 97 1.752 -23.882 4.977 1.00 0.00 N ATOM 1483 CD2 HIS A 97 0.192 -22.476 5.573 1.00 0.00 C ATOM 1484 CE1 HIS A 97 0.990 -23.670 3.919 1.00 0.00 C ATOM 1485 NE2 HIS A 97 0.036 -22.821 4.255 1.00 0.00 N ATOM 0 H HIS A 97 0.425 -20.860 8.005 1.00 0.00 H new ATOM 0 HA HIS A 97 3.150 -21.863 8.584 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.796 -23.789 7.365 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.220 -23.597 8.107 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -0.434 -21.799 6.136 1.00 0.00 H new ATOM 0 HE1 HIS A 97 1.124 -24.116 2.944 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -0.698 -22.478 3.635 1.00 0.00 H new ATOM 1494 N ILE A 98 2.623 -19.586 6.865 1.00 0.00 N ATOM 1495 CA ILE A 98 3.014 -18.652 5.816 1.00 0.00 C ATOM 1496 C ILE A 98 3.710 -17.427 6.401 1.00 0.00 C ATOM 1497 O ILE A 98 3.559 -17.120 7.584 1.00 0.00 O ATOM 1498 CB ILE A 98 1.798 -18.191 4.991 1.00 0.00 C ATOM 1499 CG1 ILE A 98 1.305 -19.327 4.091 1.00 0.00 C ATOM 1500 CG2 ILE A 98 2.154 -16.967 4.161 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -0.179 -19.270 3.806 1.00 0.00 C ATOM 0 H ILE A 98 2.242 -19.145 7.702 1.00 0.00 H new ATOM 0 HA ILE A 98 3.706 -19.183 5.163 1.00 0.00 H new ATOM 0 HB ILE A 98 0.994 -17.920 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.850 -19.295 3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.540 -20.281 4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.284 -16.653 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.462 -16.157 4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.971 -17.213 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.458 -20.105 3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.732 -19.333 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.418 -18.331 3.306 1.00 0.00 H new ATOM 1513 N LYS A 99 4.472 -16.730 5.565 1.00 0.00 N ATOM 1514 CA LYS A 99 5.189 -15.538 5.997 1.00 0.00 C ATOM 1515 C LYS A 99 5.038 -14.413 4.977 1.00 0.00 C ATOM 1516 O LYS A 99 5.455 -14.544 3.826 1.00 0.00 O ATOM 1517 CB LYS A 99 6.672 -15.856 6.204 1.00 0.00 C ATOM 1518 CG LYS A 99 7.336 -14.997 7.266 1.00 0.00 C ATOM 1519 CD LYS A 99 7.910 -13.721 6.673 1.00 0.00 C ATOM 1520 CE LYS A 99 9.129 -13.244 7.449 1.00 0.00 C ATOM 1521 NZ LYS A 99 9.992 -12.349 6.631 1.00 0.00 N ATOM 0 H LYS A 99 4.608 -16.971 4.583 1.00 0.00 H new ATOM 0 HA LYS A 99 4.759 -15.209 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.775 -16.905 6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.199 -15.723 5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.609 -14.745 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.131 -15.564 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.185 -13.894 5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.148 -12.942 6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.805 -12.716 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.709 -14.106 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.552 -11.738 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.632 -12.923 6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.396 -11.759 6.016 1.00 0.00 H new ATOM 1535 N LEU A 100 4.440 -13.307 5.408 1.00 0.00 N ATOM 1536 CA LEU A 100 4.235 -12.158 4.532 1.00 0.00 C ATOM 1537 C LEU A 100 5.129 -10.993 4.944 1.00 0.00 C ATOM 1538 O LEU A 100 5.360 -10.763 6.132 1.00 0.00 O ATOM 1539 CB LEU A 100 2.768 -11.726 4.562 1.00 0.00 C ATOM 1540 CG LEU A 100 1.848 -12.401 3.544 1.00 0.00 C ATOM 1541 CD1 LEU A 100 2.058 -11.807 2.159 1.00 0.00 C ATOM 1542 CD2 LEU A 100 2.088 -13.903 3.523 1.00 0.00 C ATOM 0 H LEU A 100 4.089 -13.182 6.357 1.00 0.00 H new ATOM 0 HA LEU A 100 4.500 -12.453 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.374 -11.917 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.724 -10.649 4.403 1.00 0.00 H new ATOM 0 HG LEU A 100 0.815 -12.222 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.395 -12.299 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.836 -10.740 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.093 -11.955 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.425 -14.367 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.124 -14.102 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.887 -14.317 4.511 1.00 0.00 H new ATOM 1554 N THR A 101 5.629 -10.258 3.955 1.00 0.00 N ATOM 1555 CA THR A 101 6.497 -9.117 4.215 1.00 0.00 C ATOM 1556 C THR A 101 5.993 -7.869 3.500 1.00 0.00 C ATOM 1557 O THR A 101 6.206 -7.701 2.298 1.00 0.00 O ATOM 1558 CB THR A 101 7.945 -9.400 3.772 1.00 0.00 C ATOM 1559 OG1 THR A 101 8.539 -10.379 4.631 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.777 -8.126 3.795 1.00 0.00 C ATOM 0 H THR A 101 5.447 -10.433 2.967 1.00 0.00 H new ATOM 0 HA THR A 101 6.481 -8.947 5.291 1.00 0.00 H new ATOM 0 HB THR A 101 7.920 -9.781 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.459 -10.554 4.341 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.796 -8.351 3.478 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.340 -7.393 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.793 -7.720 4.806 1.00 0.00 H new ATOM 1568 N TYR A 102 5.324 -6.996 4.243 1.00 0.00 N ATOM 1569 CA TYR A 102 4.787 -5.763 3.678 1.00 0.00 C ATOM 1570 C TYR A 102 5.685 -4.576 4.010 1.00 0.00 C ATOM 1571 O TYR A 102 6.086 -4.389 5.158 1.00 0.00 O ATOM 1572 CB TYR A 102 3.373 -5.510 4.204 1.00 0.00 C ATOM 1573 CG TYR A 102 2.326 -6.407 3.584 1.00 0.00 C ATOM 1574 CD1 TYR A 102 2.132 -7.703 4.045 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.530 -5.958 2.538 1.00 0.00 C ATOM 1576 CE1 TYR A 102 1.177 -8.527 3.481 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.571 -6.774 1.969 1.00 0.00 C ATOM 1578 CZ TYR A 102 0.399 -8.057 2.443 1.00 0.00 C ATOM 1579 OH TYR A 102 -0.555 -8.874 1.879 1.00 0.00 O ATOM 0 H TYR A 102 5.140 -7.119 5.239 1.00 0.00 H new ATOM 0 HA TYR A 102 4.750 -5.875 2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.366 -5.651 5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.105 -4.470 4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.738 -8.073 4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.663 -4.954 2.163 1.00 0.00 H new ATOM 0 HE1 TYR A 102 1.040 -9.533 3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.041 -6.409 1.157 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.016 -8.391 1.162 1.00 0.00 H new ATOM 1589 N GLN A 103 5.996 -3.777 2.995 1.00 0.00 N ATOM 1590 CA GLN A 103 6.848 -2.606 3.177 1.00 0.00 C ATOM 1591 C GLN A 103 6.011 -1.337 3.300 1.00 0.00 C ATOM 1592 O GLN A 103 5.363 -0.914 2.343 1.00 0.00 O ATOM 1593 CB GLN A 103 7.826 -2.475 2.010 1.00 0.00 C ATOM 1594 CG GLN A 103 8.737 -3.680 1.840 1.00 0.00 C ATOM 1595 CD GLN A 103 9.866 -3.706 2.852 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.988 -3.294 2.558 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.573 -4.192 4.052 1.00 0.00 N ATOM 0 H GLN A 103 5.672 -3.918 2.038 1.00 0.00 H new ATOM 0 HA GLN A 103 7.411 -2.738 4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.262 -2.324 1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.438 -1.585 2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.148 -4.592 1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.156 -3.675 0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.629 -4.523 4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.292 -4.235 4.774 1.00 0.00 H new ATOM 1606 N VAL A 104 6.026 -0.737 4.486 1.00 0.00 N ATOM 1607 CA VAL A 104 5.270 0.484 4.734 1.00 0.00 C ATOM 1608 C VAL A 104 5.884 1.671 4.000 1.00 0.00 C ATOM 1609 O VAL A 104 7.079 1.940 4.124 1.00 0.00 O ATOM 1610 CB VAL A 104 5.200 0.806 6.239 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.348 2.042 6.483 1.00 0.00 C ATOM 1612 CG2 VAL A 104 4.658 -0.387 7.013 1.00 0.00 C ATOM 0 H VAL A 104 6.554 -1.077 5.290 1.00 0.00 H new ATOM 0 HA VAL A 104 4.261 0.312 4.359 1.00 0.00 H new ATOM 0 HB VAL A 104 6.209 1.015 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.311 2.253 7.552 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.784 2.893 5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.338 1.867 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.615 -0.143 8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.657 -0.628 6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.313 -1.245 6.864 1.00 0.00 H new ATOM 1622 N TYR A 105 5.059 2.378 3.236 1.00 0.00 N ATOM 1623 CA TYR A 105 5.521 3.536 2.480 1.00 0.00 C ATOM 1624 C TYR A 105 4.556 4.708 2.635 1.00 0.00 C ATOM 1625 O TYR A 105 3.340 4.540 2.560 1.00 0.00 O ATOM 1626 CB TYR A 105 5.673 3.178 1.001 1.00 0.00 C ATOM 1627 CG TYR A 105 7.024 2.593 0.656 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.177 3.365 0.731 1.00 0.00 C ATOM 1629 CD2 TYR A 105 7.148 1.268 0.255 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.413 2.835 0.416 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.380 0.730 -0.061 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.510 1.517 0.020 1.00 0.00 C ATOM 1633 OH TYR A 105 10.739 0.985 -0.293 1.00 0.00 O ATOM 0 H TYR A 105 4.067 2.170 3.124 1.00 0.00 H new ATOM 0 HA TYR A 105 6.492 3.833 2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.896 2.464 0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.510 4.073 0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.105 4.397 1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.266 0.649 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.299 3.449 0.479 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.458 -0.302 -0.370 1.00 0.00 H new ATOM 0 HH TYR A 105 10.633 0.046 -0.551 1.00 0.00 H new ATOM 1643 N GLY A 106 5.110 5.898 2.850 1.00 0.00 N ATOM 1644 CA GLY A 106 4.286 7.081 3.011 1.00 0.00 C ATOM 1645 C GLY A 106 4.442 8.056 1.861 1.00 0.00 C ATOM 1646 O GLY A 106 5.555 8.309 1.398 1.00 0.00 O ATOM 0 H GLY A 106 6.114 6.063 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.240 6.784 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.549 7.579 3.944 1.00 0.00 H new ATOM 1650 N LEU A 107 3.325 8.605 1.397 1.00 0.00 N ATOM 1651 CA LEU A 107 3.341 9.558 0.293 1.00 0.00 C ATOM 1652 C LEU A 107 2.162 10.521 0.387 1.00 0.00 C ATOM 1653 O LEU A 107 1.007 10.119 0.258 1.00 0.00 O ATOM 1654 CB LEU A 107 3.302 8.818 -1.045 1.00 0.00 C ATOM 1655 CG LEU A 107 3.607 9.658 -2.286 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.575 10.761 -2.451 1.00 0.00 C ATOM 1657 CD2 LEU A 107 5.010 10.244 -2.201 1.00 0.00 C ATOM 0 H LEU A 107 2.396 8.406 1.768 1.00 0.00 H new ATOM 0 HA LEU A 107 4.264 10.135 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.016 7.995 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.313 8.376 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 107 3.558 9.010 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.809 11.348 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.584 10.319 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.591 11.408 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.210 10.839 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.087 10.877 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.738 9.436 -2.133 1.00 0.00 H new ATOM 1669 N ALA A 108 2.464 11.797 0.611 1.00 0.00 N ATOM 1670 CA ALA A 108 1.429 12.818 0.719 1.00 0.00 C ATOM 1671 C ALA A 108 1.785 14.048 -0.109 1.00 0.00 C ATOM 1672 O ALA A 108 2.962 14.342 -0.330 1.00 0.00 O ATOM 1673 CB ALA A 108 1.218 13.203 2.176 1.00 0.00 C ATOM 0 H ALA A 108 3.416 12.147 0.721 1.00 0.00 H new ATOM 0 HA ALA A 108 0.501 12.403 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.443 13.966 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.912 12.324 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.148 13.595 2.587 1.00 0.00 H new ATOM 1679 N LEU A 109 0.764 14.763 -0.567 1.00 0.00 N ATOM 1680 CA LEU A 109 0.969 15.963 -1.372 1.00 0.00 C ATOM 1681 C LEU A 109 0.981 17.211 -0.497 1.00 0.00 C ATOM 1682 O LEU A 109 -0.066 17.682 -0.057 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.127 16.081 -2.433 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.125 15.009 -3.524 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -1.470 14.964 -4.232 1.00 0.00 C ATOM 1686 CD2 LEU A 109 0.996 15.264 -4.520 1.00 0.00 C ATOM 0 H LEU A 109 -0.215 14.533 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 109 1.937 15.879 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.094 16.058 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.039 17.057 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 109 0.047 14.041 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.449 14.195 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.253 14.732 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.673 15.932 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.982 14.492 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.856 16.240 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.955 15.243 -4.002 1.00 0.00 H new ATOM 1698 N GLU A 110 2.175 17.742 -0.250 1.00 0.00 N ATOM 1699 CA GLU A 110 2.324 18.937 0.573 1.00 0.00 C ATOM 1700 C GLU A 110 1.385 20.043 0.099 1.00 0.00 C ATOM 1701 O GLU A 110 0.553 20.534 0.860 1.00 0.00 O ATOM 1702 CB GLU A 110 3.772 19.431 0.537 1.00 0.00 C ATOM 1703 CG GLU A 110 4.190 20.181 1.791 1.00 0.00 C ATOM 1704 CD GLU A 110 3.801 19.452 3.062 1.00 0.00 C ATOM 1705 OE1 GLU A 110 4.567 18.564 3.494 1.00 0.00 O ATOM 1706 OE2 GLU A 110 2.733 19.770 3.626 1.00 0.00 O ATOM 0 H GLU A 110 3.052 17.364 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 110 2.063 18.677 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.435 18.577 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.904 20.083 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.270 20.330 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.731 21.170 1.789 1.00 0.00 H new ATOM 1751 N PRO A 114 -4.294 18.425 -6.920 1.00 0.00 N ATOM 1752 CA PRO A 114 -5.094 17.253 -6.554 1.00 0.00 C ATOM 1753 C PRO A 114 -5.267 16.283 -7.718 1.00 0.00 C ATOM 1754 O PRO A 114 -4.674 16.462 -8.782 1.00 0.00 O ATOM 1755 CB PRO A 114 -6.443 17.856 -6.155 1.00 0.00 C ATOM 1756 CG PRO A 114 -6.514 19.148 -6.892 1.00 0.00 C ATOM 1757 CD PRO A 114 -5.101 19.655 -6.976 1.00 0.00 C ATOM 0 HA PRO A 114 -4.623 16.668 -5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.267 17.198 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -6.504 18.011 -5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.938 19.007 -7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.154 19.860 -6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.927 20.208 -7.899 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.866 20.328 -6.151 1.00 0.00 H new ATOM 1765 N VAL A 115 -6.085 15.257 -7.510 1.00 0.00 N ATOM 1766 CA VAL A 115 -6.338 14.259 -8.543 1.00 0.00 C ATOM 1767 C VAL A 115 -7.754 14.386 -9.094 1.00 0.00 C ATOM 1768 O VAL A 115 -7.987 14.194 -10.288 1.00 0.00 O ATOM 1769 CB VAL A 115 -6.135 12.830 -8.005 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -7.040 12.575 -6.808 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -6.387 11.807 -9.102 1.00 0.00 C ATOM 0 H VAL A 115 -6.584 15.095 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.621 14.443 -9.343 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.101 12.728 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.882 11.560 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.806 13.287 -6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.081 12.695 -7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -6.239 10.803 -8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.410 11.907 -9.464 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.693 11.977 -9.925 1.00 0.00 H new ATOM 1781 N THR A 116 -8.699 14.710 -8.217 1.00 0.00 N ATOM 1782 CA THR A 116 -10.092 14.863 -8.615 1.00 0.00 C ATOM 1783 C THR A 116 -10.499 13.785 -9.614 1.00 0.00 C ATOM 1784 O THR A 116 -11.340 14.016 -10.485 1.00 0.00 O ATOM 1785 CB THR A 116 -10.350 16.248 -9.237 1.00 0.00 C ATOM 1786 OG1 THR A 116 -9.834 16.288 -10.573 1.00 0.00 O ATOM 1787 CG2 THR A 116 -9.704 17.345 -8.404 1.00 0.00 C ATOM 0 H THR A 116 -8.524 14.872 -7.225 1.00 0.00 H new ATOM 0 HA THR A 116 -10.692 14.762 -7.711 1.00 0.00 H new ATOM 0 HB THR A 116 -11.426 16.418 -9.258 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.155 15.590 -10.682 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.900 18.314 -8.863 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.120 17.330 -7.397 1.00 0.00 H new ATOM 0 HG23 THR A 116 -8.628 17.178 -8.354 1.00 0.00 H new ATOM 1795 N THR A 117 -9.900 12.606 -9.483 1.00 0.00 N ATOM 1796 CA THR A 117 -10.199 11.494 -10.375 1.00 0.00 C ATOM 1797 C THR A 117 -9.893 10.157 -9.708 1.00 0.00 C ATOM 1798 O THR A 117 -8.923 10.032 -8.960 1.00 0.00 O ATOM 1799 CB THR A 117 -9.401 11.594 -11.687 1.00 0.00 C ATOM 1800 OG1 THR A 117 -9.731 12.808 -12.371 1.00 0.00 O ATOM 1801 CG2 THR A 117 -9.690 10.403 -12.590 1.00 0.00 C ATOM 0 H THR A 117 -9.204 12.397 -8.767 1.00 0.00 H new ATOM 0 HA THR A 117 -11.264 11.550 -10.602 1.00 0.00 H new ATOM 0 HB THR A 117 -8.339 11.594 -11.440 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.231 13.552 -11.976 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.114 10.496 -13.511 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.409 9.482 -12.079 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.753 10.376 -12.828 1.00 0.00 H new ATOM 1809 N VAL A 118 -10.726 9.158 -9.983 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.543 7.830 -9.411 1.00 0.00 C ATOM 1811 C VAL A 118 -11.505 6.826 -10.035 1.00 0.00 C ATOM 1812 O VAL A 118 -12.690 7.099 -10.225 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.750 7.843 -7.885 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -12.229 7.950 -7.547 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -10.139 6.600 -7.254 1.00 0.00 C ATOM 0 H VAL A 118 -11.535 9.244 -10.599 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.518 7.530 -9.628 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.244 8.717 -7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -12.355 7.958 -6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.632 8.872 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -12.761 7.097 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.294 6.626 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.614 5.711 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.070 6.572 -7.466 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.986 5.633 -10.362 1.00 0.00 N ATOM 1826 CA PRO A 119 -11.782 4.562 -10.969 1.00 0.00 C ATOM 1827 C PRO A 119 -12.790 3.964 -9.993 1.00 0.00 C ATOM 1828 O PRO A 119 -12.765 4.239 -8.792 1.00 0.00 O ATOM 1829 CB PRO A 119 -10.733 3.518 -11.360 1.00 0.00 C ATOM 1830 CG PRO A 119 -9.595 3.758 -10.429 1.00 0.00 C ATOM 1831 CD PRO A 119 -9.581 5.237 -10.164 1.00 0.00 C ATOM 0 HA PRO A 119 -12.378 4.923 -11.807 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.124 2.506 -11.255 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -10.426 3.635 -12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.723 3.197 -9.503 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.654 3.432 -10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -9.239 5.461 -9.154 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.915 5.762 -10.849 1.00 0.00 H new ATOM 1839 N PRO A 120 -13.699 3.129 -10.517 1.00 0.00 N ATOM 1840 CA PRO A 120 -14.732 2.475 -9.708 1.00 0.00 C ATOM 1841 C PRO A 120 -14.154 1.418 -8.774 1.00 0.00 C ATOM 1842 O PRO A 120 -14.887 0.757 -8.039 1.00 0.00 O ATOM 1843 CB PRO A 120 -15.642 1.825 -10.753 1.00 0.00 C ATOM 1844 CG PRO A 120 -14.766 1.616 -11.940 1.00 0.00 C ATOM 1845 CD PRO A 120 -13.787 2.757 -11.939 1.00 0.00 C ATOM 0 HA PRO A 120 -15.246 3.181 -9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -16.050 0.881 -10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -16.489 2.467 -10.994 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -14.249 0.658 -11.879 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -15.351 1.605 -12.860 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -12.818 2.455 -12.336 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -14.138 3.588 -12.551 1.00 0.00 H new ATOM 1853 N GLY A 121 -12.834 1.264 -8.807 1.00 0.00 N ATOM 1854 CA GLY A 121 -12.179 0.285 -7.957 1.00 0.00 C ATOM 1855 C GLY A 121 -11.407 0.927 -6.821 1.00 0.00 C ATOM 1856 O GLY A 121 -10.778 0.235 -6.022 1.00 0.00 O ATOM 0 H GLY A 121 -12.206 1.799 -9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.927 -0.393 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.499 -0.317 -8.559 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.455 2.253 -6.751 1.00 0.00 N ATOM 1861 CA ALA A 122 -10.755 2.987 -5.705 1.00 0.00 C ATOM 1862 C ALA A 122 -11.657 4.046 -5.080 1.00 0.00 C ATOM 1863 O ALA A 122 -12.403 4.731 -5.780 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.494 3.629 -6.264 1.00 0.00 C ATOM 0 H ALA A 122 -11.971 2.840 -7.406 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.474 2.279 -4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -8.981 4.174 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.835 2.855 -6.657 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.761 4.319 -7.065 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.584 4.175 -3.759 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.396 5.150 -3.041 1.00 0.00 C ATOM 1872 C ARG A 123 -11.523 6.041 -2.162 1.00 0.00 C ATOM 1873 O ARG A 123 -10.562 5.577 -1.550 1.00 0.00 O ATOM 1874 CB ARG A 123 -13.443 4.438 -2.182 1.00 0.00 C ATOM 1875 CG ARG A 123 -12.952 4.087 -0.787 1.00 0.00 C ATOM 1876 CD ARG A 123 -14.006 3.325 -0.001 1.00 0.00 C ATOM 1877 NE ARG A 123 -15.061 4.205 0.495 1.00 0.00 N ATOM 1878 CZ ARG A 123 -16.128 4.547 -0.219 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -16.280 4.086 -1.453 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -17.046 5.352 0.302 1.00 0.00 N ATOM 0 H ARG A 123 -10.971 3.617 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.902 5.776 -3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -14.325 5.074 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.755 3.525 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -12.046 3.486 -0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -12.687 5.000 -0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.445 2.555 -0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.534 2.816 0.839 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.974 4.577 1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.577 3.467 -1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -17.100 4.350 -1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.932 5.708 1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.865 5.614 -0.247 1.00 0.00 H new ATOM 1894 N TRP A 124 -11.865 7.323 -2.106 1.00 0.00 N ATOM 1895 CA TRP A 124 -11.113 8.281 -1.304 1.00 0.00 C ATOM 1896 C TRP A 124 -11.803 8.532 0.033 1.00 0.00 C ATOM 1897 O TRP A 124 -12.831 9.207 0.095 1.00 0.00 O ATOM 1898 CB TRP A 124 -10.951 9.599 -2.063 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.787 9.600 -3.007 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.788 9.196 -4.311 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.451 10.027 -2.719 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.534 9.344 -4.851 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.696 9.853 -3.896 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -7.819 10.540 -1.583 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.342 10.174 -3.965 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.476 10.858 -1.653 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -5.750 10.674 -2.838 1.00 0.00 C ATOM 0 H TRP A 124 -12.658 7.723 -2.607 1.00 0.00 H new ATOM 0 HA TRP A 124 -10.127 7.859 -1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -11.864 9.803 -2.623 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -10.829 10.411 -1.346 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.649 8.816 -4.841 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.270 9.112 -5.809 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.371 10.685 -0.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.780 10.033 -4.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -5.978 11.255 -0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.702 10.932 -2.861 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.232 7.984 1.100 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.793 8.149 2.437 1.00 0.00 C ATOM 1920 C LEU A 125 -10.820 8.892 3.347 1.00 0.00 C ATOM 1921 O LEU A 125 -9.659 9.102 2.995 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.134 6.785 3.040 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.051 5.712 2.928 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -9.908 6.005 3.887 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -11.636 4.334 3.199 1.00 0.00 C ATOM 0 H LEU A 125 -10.382 7.422 1.066 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.705 8.740 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.371 6.925 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.038 6.412 2.558 1.00 0.00 H new ATOM 0 HG LEU A 125 -10.658 5.725 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.147 5.231 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.471 6.974 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.286 6.020 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -10.851 3.583 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.057 4.309 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -12.420 4.122 2.472 1.00 0.00 H new ATOM 1937 N THR A 126 -11.300 9.284 4.524 1.00 0.00 N ATOM 1938 CA THR A 126 -10.474 10.002 5.485 1.00 0.00 C ATOM 1939 C THR A 126 -9.710 9.035 6.383 1.00 0.00 C ATOM 1940 O THR A 126 -9.826 7.819 6.239 1.00 0.00 O ATOM 1941 CB THR A 126 -11.322 10.940 6.366 1.00 0.00 C ATOM 1942 OG1 THR A 126 -11.954 10.193 7.411 1.00 0.00 O ATOM 1943 CG2 THR A 126 -12.377 11.654 5.535 1.00 0.00 C ATOM 0 H THR A 126 -12.257 9.116 4.834 1.00 0.00 H new ATOM 0 HA THR A 126 -9.766 10.598 4.909 1.00 0.00 H new ATOM 0 HB THR A 126 -10.661 11.687 6.805 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.802 10.620 7.652 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.963 12.311 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.890 12.245 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 126 -13.034 10.918 5.071 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.931 9.585 7.308 1.00 0.00 N ATOM 1952 CA GLN A 127 -8.148 8.769 8.229 1.00 0.00 C ATOM 1953 C GLN A 127 -9.056 7.988 9.172 1.00 0.00 C ATOM 1954 O GLN A 127 -8.835 6.803 9.422 1.00 0.00 O ATOM 1955 CB GLN A 127 -7.191 9.649 9.036 1.00 0.00 C ATOM 1956 CG GLN A 127 -6.010 10.165 8.228 1.00 0.00 C ATOM 1957 CD GLN A 127 -5.035 10.966 9.067 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -3.903 10.543 9.298 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -5.471 12.133 9.529 1.00 0.00 N ATOM 0 H GLN A 127 -8.825 10.591 7.440 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.568 8.058 7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.744 10.498 9.439 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.817 9.079 9.887 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.487 9.322 7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -6.377 10.787 7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -6.418 12.445 9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.859 12.716 10.099 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.078 8.659 9.693 1.00 0.00 N ATOM 1969 CA GLU A 128 -11.020 8.026 10.609 1.00 0.00 C ATOM 1970 C GLU A 128 -11.949 7.073 9.863 1.00 0.00 C ATOM 1971 O GLU A 128 -12.516 6.154 10.453 1.00 0.00 O ATOM 1972 CB GLU A 128 -11.842 9.088 11.344 1.00 0.00 C ATOM 1973 CG GLU A 128 -12.702 9.936 10.421 1.00 0.00 C ATOM 1974 CD GLU A 128 -13.530 10.959 11.175 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -13.135 11.330 12.300 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -14.571 11.390 10.638 1.00 0.00 O ATOM 0 H GLU A 128 -10.275 9.640 9.497 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.448 7.451 11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.483 8.597 12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.166 9.740 11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.062 10.449 9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -13.365 9.287 9.849 1.00 0.00 H new ATOM 1983 N GLU A 129 -12.100 7.301 8.561 1.00 0.00 N ATOM 1984 CA GLU A 129 -12.961 6.464 7.736 1.00 0.00 C ATOM 1985 C GLU A 129 -12.279 5.140 7.405 1.00 0.00 C ATOM 1986 O GLU A 129 -12.930 4.101 7.300 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.333 7.195 6.443 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.523 8.127 6.593 1.00 0.00 C ATOM 1989 CD GLU A 129 -15.134 8.510 5.259 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -14.525 9.331 4.541 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -16.223 7.991 4.933 1.00 0.00 O ATOM 0 H GLU A 129 -11.637 8.057 8.057 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.869 6.254 8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.473 7.770 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.554 6.459 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -15.281 7.646 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.209 9.030 7.118 1.00 0.00 H new ATOM 1998 N PHE A 130 -10.960 5.186 7.241 1.00 0.00 N ATOM 1999 CA PHE A 130 -10.188 3.991 6.921 1.00 0.00 C ATOM 2000 C PHE A 130 -10.315 2.948 8.029 1.00 0.00 C ATOM 2001 O PHE A 130 -10.696 1.804 7.779 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.716 4.351 6.710 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.784 3.185 6.878 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.554 2.308 5.831 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -7.137 2.966 8.085 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.696 1.234 5.982 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -6.278 1.894 8.242 1.00 0.00 C ATOM 2008 CZ PHE A 130 -6.058 1.028 7.189 1.00 0.00 C ATOM 0 H PHE A 130 -10.405 6.037 7.324 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.587 3.567 6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.591 4.764 5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.437 5.134 7.415 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -8.051 2.465 4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.306 3.640 8.912 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.525 0.558 5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.780 1.734 9.187 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.387 0.190 7.310 1.00 0.00 H new ATOM 2018 N HIS A 131 -9.990 3.352 9.253 1.00 0.00 N ATOM 2019 CA HIS A 131 -10.068 2.454 10.400 1.00 0.00 C ATOM 2020 C HIS A 131 -11.363 1.647 10.371 1.00 0.00 C ATOM 2021 O HIS A 131 -11.340 0.418 10.299 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.975 3.247 11.703 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.571 3.434 12.192 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -7.750 2.383 12.540 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -7.845 4.559 12.389 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -6.579 2.853 12.932 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.611 4.171 12.849 1.00 0.00 N ATOM 0 H HIS A 131 -9.670 4.295 9.476 1.00 0.00 H new ATOM 0 HA HIS A 131 -9.228 1.761 10.346 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.433 4.225 11.557 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -10.554 2.735 12.472 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -8.175 5.573 12.217 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.739 2.261 13.264 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -5.843 4.799 13.088 1.00 0.00 H new ATOM 2036 N THR A 132 -12.491 2.348 10.431 1.00 0.00 N ATOM 2037 CA THR A 132 -13.796 1.697 10.415 1.00 0.00 C ATOM 2038 C THR A 132 -13.957 0.820 9.178 1.00 0.00 C ATOM 2039 O THR A 132 -14.809 -0.067 9.142 1.00 0.00 O ATOM 2040 CB THR A 132 -14.939 2.729 10.450 1.00 0.00 C ATOM 2041 OG1 THR A 132 -14.902 3.541 9.272 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.831 3.612 11.684 1.00 0.00 C ATOM 0 H THR A 132 -12.528 3.366 10.491 1.00 0.00 H new ATOM 0 HA THR A 132 -13.850 1.075 11.309 1.00 0.00 H new ATOM 0 HB THR A 132 -15.886 2.190 10.489 1.00 0.00 H new ATOM 0 HG1 THR A 132 -14.019 3.468 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.648 4.333 11.688 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.888 2.994 12.580 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.879 4.143 11.670 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.133 1.073 8.166 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.183 0.304 6.930 1.00 0.00 C ATOM 2052 C ALA A 133 -12.621 -1.099 7.132 1.00 0.00 C ATOM 2053 O ALA A 133 -11.652 -1.290 7.867 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.422 1.026 5.828 1.00 0.00 C ATOM 0 H ALA A 133 -12.423 1.805 8.179 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.227 0.209 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.468 0.440 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -12.871 2.004 5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.381 1.152 6.127 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.235 -2.078 6.477 1.00 0.00 N ATOM 2061 CA ALA A 134 -12.795 -3.464 6.585 1.00 0.00 C ATOM 2062 C ALA A 134 -11.418 -3.652 5.957 1.00 0.00 C ATOM 2063 O ALA A 134 -11.291 -3.782 4.740 1.00 0.00 O ATOM 2064 CB ALA A 134 -13.807 -4.392 5.929 1.00 0.00 C ATOM 0 H ALA A 134 -14.039 -1.937 5.865 1.00 0.00 H new ATOM 0 HA ALA A 134 -12.721 -3.715 7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.466 -5.423 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -14.772 -4.286 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -13.909 -4.132 4.875 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.387 -3.665 6.797 1.00 0.00 N ATOM 2071 CA VAL A 135 -9.019 -3.838 6.325 1.00 0.00 C ATOM 2072 C VAL A 135 -8.323 -4.979 7.059 1.00 0.00 C ATOM 2073 O VAL A 135 -8.503 -5.157 8.263 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.195 -2.549 6.505 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -7.120 -2.447 5.433 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -9.104 -1.329 6.479 1.00 0.00 C ATOM 0 H VAL A 135 -10.474 -3.558 7.808 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.080 -4.077 5.263 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.702 -2.586 7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.549 -1.530 5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.452 -3.306 5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.588 -2.432 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.506 -0.427 6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.627 -1.285 5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -9.832 -1.400 7.287 1.00 0.00 H new ATOM 2086 N SER A 136 -7.529 -5.750 6.324 1.00 0.00 N ATOM 2087 CA SER A 136 -6.808 -6.877 6.905 1.00 0.00 C ATOM 2088 C SER A 136 -5.726 -6.394 7.864 1.00 0.00 C ATOM 2089 O SER A 136 -5.041 -5.406 7.600 1.00 0.00 O ATOM 2090 CB SER A 136 -6.183 -7.733 5.801 1.00 0.00 C ATOM 2091 OG SER A 136 -4.875 -7.287 5.490 1.00 0.00 O ATOM 0 H SER A 136 -7.368 -5.616 5.326 1.00 0.00 H new ATOM 0 HA SER A 136 -7.520 -7.482 7.465 1.00 0.00 H new ATOM 0 HB2 SER A 136 -6.149 -8.775 6.119 1.00 0.00 H new ATOM 0 HB3 SER A 136 -6.807 -7.692 4.908 1.00 0.00 H new ATOM 0 HG SER A 136 -4.742 -7.314 4.519 1.00 0.00 H new ATOM 2097 N THR A 137 -5.575 -7.099 8.981 1.00 0.00 N ATOM 2098 CA THR A 137 -4.578 -6.743 9.982 1.00 0.00 C ATOM 2099 C THR A 137 -3.320 -6.181 9.328 1.00 0.00 C ATOM 2100 O THR A 137 -2.936 -5.040 9.579 1.00 0.00 O ATOM 2101 CB THR A 137 -4.193 -7.956 10.849 1.00 0.00 C ATOM 2102 OG1 THR A 137 -5.312 -8.364 11.644 1.00 0.00 O ATOM 2103 CG2 THR A 137 -3.016 -7.625 11.753 1.00 0.00 C ATOM 0 H THR A 137 -6.132 -7.921 9.215 1.00 0.00 H new ATOM 0 HA THR A 137 -5.027 -5.980 10.618 1.00 0.00 H new ATOM 0 HB THR A 137 -3.902 -8.771 10.186 1.00 0.00 H new ATOM 0 HG1 THR A 137 -5.060 -9.137 12.191 1.00 0.00 H new ATOM 0 HG21 THR A 137 -2.763 -8.498 12.355 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.157 -7.343 11.144 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.283 -6.796 12.409 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.683 -6.990 8.489 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.470 -6.572 7.796 1.00 0.00 C ATOM 2113 C ALA A 138 -1.534 -5.096 7.419 1.00 0.00 C ATOM 2114 O ALA A 138 -0.684 -4.305 7.826 1.00 0.00 O ATOM 2115 CB ALA A 138 -1.248 -7.427 6.557 1.00 0.00 C ATOM 0 H ALA A 138 -2.986 -7.939 8.272 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.628 -6.710 8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -0.339 -7.104 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -1.148 -8.472 6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -2.098 -7.318 5.883 1.00 0.00 H new ATOM 2121 N MET A 139 -2.546 -4.733 6.639 1.00 0.00 N ATOM 2122 CA MET A 139 -2.720 -3.352 6.208 1.00 0.00 C ATOM 2123 C MET A 139 -2.920 -2.429 7.406 1.00 0.00 C ATOM 2124 O MET A 139 -2.219 -1.428 7.556 1.00 0.00 O ATOM 2125 CB MET A 139 -3.915 -3.238 5.258 1.00 0.00 C ATOM 2126 CG MET A 139 -3.974 -4.347 4.221 1.00 0.00 C ATOM 2127 SD MET A 139 -2.419 -4.551 3.332 1.00 0.00 S ATOM 2128 CE MET A 139 -2.176 -2.897 2.690 1.00 0.00 C ATOM 0 H MET A 139 -3.258 -5.376 6.293 1.00 0.00 H new ATOM 0 HA MET A 139 -1.816 -3.046 5.682 1.00 0.00 H new ATOM 0 HB2 MET A 139 -4.835 -3.248 5.842 1.00 0.00 H new ATOM 0 HB3 MET A 139 -3.872 -2.276 4.747 1.00 0.00 H new ATOM 0 HG2 MET A 139 -4.233 -5.285 4.712 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.770 -4.130 3.508 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.260 -2.867 2.100 1.00 0.00 H new ATOM 0 HE2 MET A 139 -3.023 -2.623 2.061 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.097 -2.193 3.518 1.00 0.00 H new ATOM 2138 N LYS A 140 -3.880 -2.772 8.258 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.172 -1.975 9.444 1.00 0.00 C ATOM 2140 C LYS A 140 -2.894 -1.660 10.215 1.00 0.00 C ATOM 2141 O LYS A 140 -2.836 -0.690 10.971 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.158 -2.715 10.350 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.548 -2.850 9.754 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.612 -2.943 10.834 1.00 0.00 C ATOM 2145 CE LYS A 140 -8.106 -1.566 11.251 1.00 0.00 C ATOM 2146 NZ LYS A 140 -7.286 -0.993 12.354 1.00 0.00 N ATOM 0 H LYS A 140 -4.470 -3.597 8.149 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.621 -1.036 9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.766 -3.709 10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.229 -2.188 11.302 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.754 -1.994 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.590 -3.738 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.451 -3.536 10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.206 -3.463 11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -8.079 -0.895 10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -9.146 -1.634 11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -7.874 -0.356 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -6.922 -1.762 12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.488 -0.460 11.953 1.00 0.00 H new ATOM 2160 N LYS A 141 -1.871 -2.485 10.018 1.00 0.00 N ATOM 2161 CA LYS A 141 -0.592 -2.294 10.693 1.00 0.00 C ATOM 2162 C LYS A 141 0.277 -1.295 9.936 1.00 0.00 C ATOM 2163 O LYS A 141 1.037 -0.537 10.540 1.00 0.00 O ATOM 2164 CB LYS A 141 0.143 -3.630 10.823 1.00 0.00 C ATOM 2165 CG LYS A 141 -0.455 -4.553 11.870 1.00 0.00 C ATOM 2166 CD LYS A 141 -0.036 -5.997 11.644 1.00 0.00 C ATOM 2167 CE LYS A 141 1.354 -6.267 12.200 1.00 0.00 C ATOM 2168 NZ LYS A 141 1.368 -6.249 13.689 1.00 0.00 N ATOM 0 H LYS A 141 -1.903 -3.293 9.396 1.00 0.00 H new ATOM 0 HA LYS A 141 -0.789 -1.897 11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 141 0.134 -4.136 9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 141 1.186 -3.438 11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.139 -4.232 12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.542 -4.480 11.843 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.755 -6.664 12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.052 -6.219 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 141 1.705 -7.236 11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 141 2.049 -5.518 11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 2.226 -6.725 14.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 1.359 -5.265 14.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 0.528 -6.745 14.050 1.00 0.00 H new ATOM 2182 N VAL A 142 0.159 -1.297 8.613 1.00 0.00 N ATOM 2183 CA VAL A 142 0.933 -0.388 7.775 1.00 0.00 C ATOM 2184 C VAL A 142 0.548 1.064 8.037 1.00 0.00 C ATOM 2185 O VAL A 142 1.389 1.961 7.972 1.00 0.00 O ATOM 2186 CB VAL A 142 0.734 -0.698 6.279 1.00 0.00 C ATOM 2187 CG1 VAL A 142 1.491 0.304 5.421 1.00 0.00 C ATOM 2188 CG2 VAL A 142 1.175 -2.120 5.967 1.00 0.00 C ATOM 0 H VAL A 142 -0.465 -1.918 8.097 1.00 0.00 H new ATOM 0 HA VAL A 142 1.982 -0.535 8.033 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.327 -0.611 6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.339 0.069 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.123 1.309 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.555 0.252 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.028 -2.322 4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.230 -2.237 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.584 -2.822 6.556 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.727 1.287 8.336 1.00 0.00 N ATOM 2199 CA PHE A 143 -1.224 2.631 8.608 1.00 0.00 C ATOM 2200 C PHE A 143 -0.550 3.219 9.844 1.00 0.00 C ATOM 2201 O PHE A 143 0.192 4.199 9.752 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.741 2.606 8.803 1.00 0.00 C ATOM 2203 CG PHE A 143 -3.313 3.930 9.222 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -3.522 4.936 8.291 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.642 4.172 10.546 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -4.049 6.155 8.672 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -4.168 5.388 10.933 1.00 0.00 C ATOM 2208 CZ PHE A 143 -4.371 6.382 9.995 1.00 0.00 C ATOM 0 H PHE A 143 -1.435 0.555 8.396 1.00 0.00 H new ATOM 0 HA PHE A 143 -0.985 3.261 7.751 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -3.214 2.293 7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.990 1.857 9.555 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -3.270 4.765 7.255 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.485 3.400 11.284 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -4.209 6.929 7.936 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.421 5.562 11.968 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.781 7.335 10.296 1.00 0.00 H new ATOM 2218 N ARG A 144 -0.813 2.616 10.998 1.00 0.00 N ATOM 2219 CA ARG A 144 -0.234 3.082 12.253 1.00 0.00 C ATOM 2220 C ARG A 144 1.249 3.395 12.083 1.00 0.00 C ATOM 2221 O ARG A 144 1.781 4.300 12.726 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.423 2.029 13.347 1.00 0.00 C ATOM 2223 CG ARG A 144 0.701 1.008 13.409 1.00 0.00 C ATOM 2224 CD ARG A 144 0.366 -0.131 14.359 1.00 0.00 C ATOM 2225 NE ARG A 144 0.674 0.204 15.747 1.00 0.00 N ATOM 2226 CZ ARG A 144 0.374 -0.580 16.777 1.00 0.00 C ATOM 2227 NH1 ARG A 144 -0.238 -1.738 16.576 1.00 0.00 N ATOM 2228 NH2 ARG A 144 0.687 -0.205 18.010 1.00 0.00 N ATOM 0 H ARG A 144 -1.423 1.804 11.091 1.00 0.00 H new ATOM 0 HA ARG A 144 -0.749 3.997 12.546 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -0.501 2.530 14.312 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -1.366 1.509 13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 144 0.887 0.609 12.412 1.00 0.00 H new ATOM 0 HG3 ARG A 144 1.620 1.496 13.734 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -0.693 -0.376 14.272 1.00 0.00 H new ATOM 0 HD3 ARG A 144 0.924 -1.021 14.069 1.00 0.00 H new ATOM 0 HE ARG A 144 1.145 1.089 15.936 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -0.480 -2.029 15.629 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -0.467 -2.338 17.368 1.00 0.00 H new ATOM 0 HH21 ARG A 144 1.158 0.686 18.168 1.00 0.00 H new ATOM 0 HH22 ARG A 144 0.456 -0.807 18.800 1.00 0.00 H new ATOM 2242 N VAL A 145 1.913 2.639 11.215 1.00 0.00 N ATOM 2243 CA VAL A 145 3.335 2.836 10.960 1.00 0.00 C ATOM 2244 C VAL A 145 3.576 4.087 10.122 1.00 0.00 C ATOM 2245 O VAL A 145 4.486 4.868 10.402 1.00 0.00 O ATOM 2246 CB VAL A 145 3.950 1.622 10.239 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.453 1.797 10.084 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.628 0.338 10.988 1.00 0.00 C ATOM 0 H VAL A 145 1.489 1.884 10.676 1.00 0.00 H new ATOM 0 HA VAL A 145 3.816 2.955 11.931 1.00 0.00 H new ATOM 0 HB VAL A 145 3.513 1.553 9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.869 0.929 9.572 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.656 2.695 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 145 5.912 1.893 11.068 1.00 0.00 H new ATOM 0 HG21 VAL A 145 4.070 -0.509 10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 145 4.035 0.394 11.997 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.547 0.208 11.040 1.00 0.00 H new ATOM 2258 N TYR A 146 2.754 4.271 9.095 1.00 0.00 N ATOM 2259 CA TYR A 146 2.878 5.427 8.215 1.00 0.00 C ATOM 2260 C TYR A 146 2.588 6.720 8.970 1.00 0.00 C ATOM 2261 O TYR A 146 3.148 7.772 8.659 1.00 0.00 O ATOM 2262 CB TYR A 146 1.926 5.292 7.025 1.00 0.00 C ATOM 2263 CG TYR A 146 1.484 6.619 6.452 1.00 0.00 C ATOM 2264 CD1 TYR A 146 2.352 7.396 5.696 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.196 7.096 6.666 1.00 0.00 C ATOM 2266 CE1 TYR A 146 1.953 8.609 5.170 1.00 0.00 C ATOM 2267 CE2 TYR A 146 -0.213 8.307 6.143 1.00 0.00 C ATOM 2268 CZ TYR A 146 0.669 9.061 5.396 1.00 0.00 C ATOM 2269 OH TYR A 146 0.265 10.269 4.875 1.00 0.00 O ATOM 0 H TYR A 146 1.995 3.635 8.851 1.00 0.00 H new ATOM 0 HA TYR A 146 3.904 5.465 7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.416 4.712 6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.046 4.729 7.336 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.357 7.045 5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.497 6.510 7.251 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.642 9.200 4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -1.218 8.662 6.318 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.667 10.438 5.126 1.00 0.00 H new ATOM 2279 N GLN A 147 1.709 6.633 9.963 1.00 0.00 N ATOM 2280 CA GLN A 147 1.343 7.796 10.763 1.00 0.00 C ATOM 2281 C GLN A 147 2.556 8.355 11.498 1.00 0.00 C ATOM 2282 O GLN A 147 2.659 9.560 11.722 1.00 0.00 O ATOM 2283 CB GLN A 147 0.248 7.428 11.766 1.00 0.00 C ATOM 2284 CG GLN A 147 -1.088 7.108 11.117 1.00 0.00 C ATOM 2285 CD GLN A 147 -2.226 7.058 12.118 1.00 0.00 C ATOM 2286 OE1 GLN A 147 -2.343 6.112 12.897 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -3.073 8.081 12.103 1.00 0.00 N ATOM 0 H GLN A 147 1.237 5.770 10.233 1.00 0.00 H new ATOM 0 HA GLN A 147 0.964 8.564 10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 147 0.575 6.567 12.349 1.00 0.00 H new ATOM 0 HB3 GLN A 147 0.115 8.254 12.465 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -1.309 7.860 10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -1.018 6.149 10.604 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -2.939 8.845 11.440 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -3.858 8.103 12.754 1.00 0.00 H new