USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 631 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 28 SER OG : rot -42:sc= -0.127 USER MOD Set 1.2: A 29 THR OG1 : rot 96:sc= 0.966 USER MOD Single : A 18 THR OG1 : rot 21:sc= -0.856! USER MOD Single : A 27 THR OG1 : rot 53:sc= -0.0195 USER MOD Single : A 31 THR OG1 : rot 110:sc= 1.02 USER MOD Single : A 35 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.26) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0065) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0824 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.436 X(o=0.44,f=0) USER MOD Single : A 65 ASN : amide:sc= -6.12! C(o=-6.1!,f=-8.1!) USER MOD Single : A 68 THR OG1 : rot -87:sc= 0.717 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 80 HIS : no HE2:sc= -14.5! C(o=-14!,f=-15!) USER MOD Single : A 82 ASN : amide:sc= -3.86! K(o=-3.9!,f=-2.3) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 0.697 12.277 1.820 1.00 0.00 N ATOM 201 CA ARG A 14 0.190 11.058 1.213 1.00 0.00 C ATOM 202 C ARG A 14 0.960 9.845 1.737 1.00 0.00 C ATOM 203 O ARG A 14 0.364 8.906 2.262 1.00 0.00 O ATOM 204 CB ARG A 14 0.310 11.111 -0.311 1.00 0.00 C ATOM 205 CG ARG A 14 -0.565 10.041 -0.967 1.00 0.00 C ATOM 206 CD ARG A 14 0.245 9.202 -1.958 1.00 0.00 C ATOM 207 NE ARG A 14 -0.605 8.814 -3.106 1.00 0.00 N ATOM 208 CZ ARG A 14 -0.351 7.763 -3.914 1.00 0.00 C ATOM 209 NH1 ARG A 14 0.732 6.985 -3.707 1.00 0.00 N ATOM 210 NH2 ARG A 14 -1.178 7.508 -4.911 1.00 0.00 N ATOM 0 HA ARG A 14 -0.863 10.967 1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.014 12.097 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.350 10.965 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.991 9.394 -0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.400 10.515 -1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.107 9.770 -2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.630 8.311 -1.463 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.434 9.376 -3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.367 7.189 -2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.916 6.193 -4.323 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.994 8.101 -5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.001 6.718 -5.531 1.00 0.00 H new ATOM 223 N ALA A 15 2.274 9.903 1.576 1.00 0.00 N ATOM 224 CA ALA A 15 3.132 8.820 2.026 1.00 0.00 C ATOM 225 C ALA A 15 2.633 8.308 3.378 1.00 0.00 C ATOM 226 O ALA A 15 2.342 7.122 3.528 1.00 0.00 O ATOM 227 CB ALA A 15 4.581 9.308 2.087 1.00 0.00 C ATOM 0 H ALA A 15 2.765 10.683 1.140 1.00 0.00 H new ATOM 0 HA ALA A 15 3.097 7.987 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.225 8.496 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.897 9.634 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.655 10.143 2.784 1.00 0.00 H new ATOM 233 N GLU A 16 2.548 9.227 4.329 1.00 0.00 N ATOM 234 CA GLU A 16 2.089 8.883 5.664 1.00 0.00 C ATOM 235 C GLU A 16 0.636 8.405 5.618 1.00 0.00 C ATOM 236 O GLU A 16 0.272 7.448 6.301 1.00 0.00 O ATOM 237 CB GLU A 16 2.246 10.067 6.620 1.00 0.00 C ATOM 238 CG GLU A 16 3.698 10.210 7.080 1.00 0.00 C ATOM 239 CD GLU A 16 4.665 10.035 5.908 1.00 0.00 C ATOM 240 OE1 GLU A 16 5.110 11.030 5.317 1.00 0.00 O ATOM 241 OE2 GLU A 16 4.953 8.812 5.616 1.00 0.00 O ATOM 0 H GLU A 16 2.789 10.210 4.201 1.00 0.00 H new ATOM 0 HA GLU A 16 2.708 8.069 6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.925 10.984 6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.598 9.929 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.844 11.190 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.914 9.468 7.848 1.00 0.00 H new ATOM 249 N ARG A 17 -0.155 9.092 4.808 1.00 0.00 N ATOM 250 CA ARG A 17 -1.559 8.750 4.664 1.00 0.00 C ATOM 251 C ARG A 17 -1.707 7.300 4.198 1.00 0.00 C ATOM 252 O ARG A 17 -2.407 6.509 4.830 1.00 0.00 O ATOM 253 CB ARG A 17 -2.252 9.674 3.661 1.00 0.00 C ATOM 254 CG ARG A 17 -3.738 9.331 3.535 1.00 0.00 C ATOM 255 CD ARG A 17 -4.493 9.687 4.818 1.00 0.00 C ATOM 256 NE ARG A 17 -4.517 11.156 5.000 1.00 0.00 N ATOM 257 CZ ARG A 17 -5.353 11.800 5.842 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.241 11.109 6.588 1.00 0.00 N ATOM 259 NH2 ARG A 17 -5.288 13.116 5.925 1.00 0.00 N ATOM 0 H ARG A 17 0.150 9.885 4.244 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.031 8.872 5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.140 10.711 3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.771 9.585 2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.170 9.872 2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.853 8.268 3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.511 9.302 4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.014 9.214 5.675 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.861 11.716 4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.284 10.092 6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.869 11.604 7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.614 13.630 5.358 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.912 13.619 6.556 1.00 0.00 H new ATOM 272 N THR A 18 -1.037 6.994 3.097 1.00 0.00 N ATOM 273 CA THR A 18 -1.084 5.653 2.539 1.00 0.00 C ATOM 274 C THR A 18 -0.415 4.657 3.488 1.00 0.00 C ATOM 275 O THR A 18 -0.964 3.591 3.763 1.00 0.00 O ATOM 276 CB THR A 18 -0.443 5.696 1.151 1.00 0.00 C ATOM 277 OG1 THR A 18 -1.445 6.279 0.323 1.00 0.00 O ATOM 278 CG2 THR A 18 -0.235 4.300 0.559 1.00 0.00 C ATOM 0 H THR A 18 -0.458 7.652 2.576 1.00 0.00 H new ATOM 0 HA THR A 18 -2.111 5.306 2.427 1.00 0.00 H new ATOM 0 HB THR A 18 0.515 6.212 1.210 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.083 6.772 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.223 4.387 -0.426 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.418 3.721 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.197 3.796 0.469 1.00 0.00 H new ATOM 286 N ALA A 19 0.761 5.039 3.962 1.00 0.00 N ATOM 287 CA ALA A 19 1.511 4.192 4.875 1.00 0.00 C ATOM 288 C ALA A 19 0.713 4.010 6.167 1.00 0.00 C ATOM 289 O ALA A 19 0.919 3.041 6.896 1.00 0.00 O ATOM 290 CB ALA A 19 2.891 4.806 5.123 1.00 0.00 C ATOM 0 H ALA A 19 1.214 5.924 3.731 1.00 0.00 H new ATOM 0 HA ALA A 19 1.667 3.204 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.454 4.171 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.428 4.887 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.775 5.798 5.560 1.00 0.00 H new ATOM 296 N GLU A 20 -0.182 4.955 6.411 1.00 0.00 N ATOM 297 CA GLU A 20 -1.013 4.911 7.602 1.00 0.00 C ATOM 298 C GLU A 20 -2.212 3.987 7.379 1.00 0.00 C ATOM 299 O GLU A 20 -2.562 3.196 8.254 1.00 0.00 O ATOM 300 CB GLU A 20 -1.469 6.314 8.005 1.00 0.00 C ATOM 301 CG GLU A 20 -2.514 6.252 9.121 1.00 0.00 C ATOM 302 CD GLU A 20 -2.395 7.460 10.053 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.955 8.535 9.620 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.779 7.252 11.266 1.00 0.00 O ATOM 0 H GLU A 20 -0.350 5.757 5.804 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.417 4.509 8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.611 6.898 8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.887 6.827 7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.513 6.221 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.386 5.333 9.693 1.00 0.00 H new ATOM 312 N LEU A 21 -2.809 4.119 6.204 1.00 0.00 N ATOM 313 CA LEU A 21 -3.962 3.306 5.855 1.00 0.00 C ATOM 314 C LEU A 21 -3.516 1.856 5.653 1.00 0.00 C ATOM 315 O LEU A 21 -4.280 0.927 5.908 1.00 0.00 O ATOM 316 CB LEU A 21 -4.689 3.899 4.647 1.00 0.00 C ATOM 317 CG LEU A 21 -6.112 4.402 4.901 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.161 5.931 4.897 1.00 0.00 C ATOM 319 CD2 LEU A 21 -7.096 3.794 3.900 1.00 0.00 C ATOM 0 H LEU A 21 -2.516 4.777 5.481 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.689 3.306 6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.095 4.728 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.727 3.142 3.863 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.419 4.072 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.183 6.263 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.509 6.318 5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.826 6.303 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.099 4.168 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.803 4.072 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.088 2.708 3.995 1.00 0.00 H new ATOM 331 N VAL A 22 -2.280 1.708 5.197 1.00 0.00 N ATOM 332 CA VAL A 22 -1.724 0.388 4.959 1.00 0.00 C ATOM 333 C VAL A 22 -1.625 -0.367 6.286 1.00 0.00 C ATOM 334 O VAL A 22 -2.116 -1.488 6.405 1.00 0.00 O ATOM 335 CB VAL A 22 -0.379 0.509 4.238 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.499 -0.715 4.507 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.580 0.721 2.736 1.00 0.00 C ATOM 0 H VAL A 22 -1.649 2.481 4.986 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.378 -0.189 4.305 1.00 0.00 H new ATOM 0 HB VAL A 22 0.136 1.384 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.449 -0.604 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.683 -0.802 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.008 -1.612 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.391 0.804 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.125 -0.126 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.149 1.636 2.571 1.00 0.00 H new ATOM 347 N ARG A 23 -0.985 0.279 7.251 1.00 0.00 N ATOM 348 CA ARG A 23 -0.815 -0.317 8.565 1.00 0.00 C ATOM 349 C ARG A 23 -2.171 -0.735 9.138 1.00 0.00 C ATOM 350 O ARG A 23 -2.286 -1.786 9.766 1.00 0.00 O ATOM 351 CB ARG A 23 -0.141 0.660 9.530 1.00 0.00 C ATOM 352 CG ARG A 23 0.678 -0.087 10.584 1.00 0.00 C ATOM 353 CD ARG A 23 1.586 0.873 11.355 1.00 0.00 C ATOM 354 NE ARG A 23 1.881 0.322 12.697 1.00 0.00 N ATOM 355 CZ ARG A 23 2.495 1.014 13.680 1.00 0.00 C ATOM 356 NH1 ARG A 23 2.885 2.291 13.480 1.00 0.00 N ATOM 357 NH2 ARG A 23 2.709 0.422 14.841 1.00 0.00 N ATOM 0 H ARG A 23 -0.578 1.209 7.148 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.179 -1.195 8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.507 1.337 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.898 1.273 10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.008 -0.595 11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.282 -0.856 10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.514 1.030 10.805 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.104 1.846 11.450 1.00 0.00 H new ATOM 0 HE ARG A 23 1.603 -0.640 12.891 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.716 2.741 12.580 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.348 2.806 14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.412 -0.543 14.984 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.172 0.930 15.595 1.00 0.00 H new ATOM 370 N LEU A 24 -3.164 0.110 8.900 1.00 0.00 N ATOM 371 CA LEU A 24 -4.507 -0.158 9.384 1.00 0.00 C ATOM 372 C LEU A 24 -5.132 -1.276 8.547 1.00 0.00 C ATOM 373 O LEU A 24 -5.734 -2.201 9.091 1.00 0.00 O ATOM 374 CB LEU A 24 -5.335 1.128 9.408 1.00 0.00 C ATOM 375 CG LEU A 24 -6.834 0.956 9.660 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.413 2.178 10.378 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.577 0.651 8.358 1.00 0.00 C ATOM 0 H LEU A 24 -3.065 0.981 8.378 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.477 -0.509 10.415 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.930 1.783 10.179 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.203 1.639 8.454 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.974 0.099 10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.480 2.030 10.545 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.910 2.309 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.262 3.066 9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.641 0.533 8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.433 1.472 7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.188 -0.270 7.924 1.00 0.00 H new ATOM 389 N VAL A 25 -4.969 -1.154 7.238 1.00 0.00 N ATOM 390 CA VAL A 25 -5.510 -2.143 6.321 1.00 0.00 C ATOM 391 C VAL A 25 -5.111 -3.543 6.793 1.00 0.00 C ATOM 392 O VAL A 25 -5.952 -4.436 6.880 1.00 0.00 O ATOM 393 CB VAL A 25 -5.049 -1.840 4.894 1.00 0.00 C ATOM 394 CG1 VAL A 25 -4.943 -3.124 4.068 1.00 0.00 C ATOM 395 CG2 VAL A 25 -5.981 -0.830 4.220 1.00 0.00 C ATOM 0 H VAL A 25 -4.470 -0.385 6.790 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.599 -2.101 6.313 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.056 -1.394 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.614 -2.881 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.222 -3.797 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.918 -3.610 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.631 -0.632 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.992 -1.237 4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.985 0.099 4.791 1.00 0.00 H new ATOM 405 N ARG A 26 -3.827 -3.690 7.086 1.00 0.00 N ATOM 406 CA ARG A 26 -3.307 -4.966 7.547 1.00 0.00 C ATOM 407 C ARG A 26 -4.084 -5.444 8.776 1.00 0.00 C ATOM 408 O ARG A 26 -4.727 -6.492 8.739 1.00 0.00 O ATOM 409 CB ARG A 26 -1.822 -4.859 7.902 1.00 0.00 C ATOM 410 CG ARG A 26 -0.991 -5.851 7.085 1.00 0.00 C ATOM 411 CD ARG A 26 0.015 -5.119 6.194 1.00 0.00 C ATOM 412 NE ARG A 26 1.383 -5.281 6.736 1.00 0.00 N ATOM 413 CZ ARG A 26 2.442 -4.537 6.353 1.00 0.00 C ATOM 414 NH1 ARG A 26 2.299 -3.570 5.421 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.619 -4.768 6.904 1.00 0.00 N ATOM 0 H ARG A 26 -3.132 -2.947 7.013 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.425 -5.685 6.736 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.472 -3.844 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.684 -5.052 8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.463 -6.528 7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.650 -6.463 6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.032 -5.513 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.240 -4.061 6.137 1.00 0.00 H new ATOM 0 HE ARG A 26 1.535 -6.000 7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.386 -3.398 5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.104 -3.012 5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.718 -5.500 7.608 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.430 -4.215 6.626 1.00 0.00 H new ATOM 428 N THR A 27 -4.000 -4.652 9.834 1.00 0.00 N ATOM 429 CA THR A 27 -4.687 -4.981 11.071 1.00 0.00 C ATOM 430 C THR A 27 -6.169 -5.253 10.802 1.00 0.00 C ATOM 431 O THR A 27 -6.717 -6.247 11.277 1.00 0.00 O ATOM 432 CB THR A 27 -4.450 -3.839 12.062 1.00 0.00 C ATOM 433 OG1 THR A 27 -4.490 -2.665 11.255 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.032 -3.848 12.638 1.00 0.00 C ATOM 0 H THR A 27 -3.467 -3.783 9.860 1.00 0.00 H new ATOM 0 HA THR A 27 -4.294 -5.898 11.509 1.00 0.00 H new ATOM 0 HB THR A 27 -5.172 -3.909 12.875 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.316 -2.659 10.727 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.917 -3.018 13.335 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.858 -4.788 13.162 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.310 -3.745 11.828 1.00 0.00 H new ATOM 442 N SER A 28 -6.774 -4.353 10.041 1.00 0.00 N ATOM 443 CA SER A 28 -8.181 -4.484 9.703 1.00 0.00 C ATOM 444 C SER A 28 -8.443 -5.854 9.074 1.00 0.00 C ATOM 445 O SER A 28 -9.431 -6.511 9.397 1.00 0.00 O ATOM 446 CB SER A 28 -8.625 -3.371 8.753 1.00 0.00 C ATOM 447 OG SER A 28 -8.250 -3.638 7.404 1.00 0.00 O ATOM 0 H SER A 28 -6.316 -3.530 9.649 1.00 0.00 H new ATOM 0 HA SER A 28 -8.763 -4.395 10.621 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.707 -3.255 8.812 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.185 -2.426 9.071 1.00 0.00 H new ATOM 0 HG SER A 28 -7.340 -4.001 7.383 1.00 0.00 H new ATOM 453 N THR A 29 -7.540 -6.245 8.187 1.00 0.00 N ATOM 454 CA THR A 29 -7.660 -7.525 7.510 1.00 0.00 C ATOM 455 C THR A 29 -7.607 -8.671 8.522 1.00 0.00 C ATOM 456 O THR A 29 -8.586 -9.394 8.698 1.00 0.00 O ATOM 457 CB THR A 29 -6.564 -7.602 6.446 1.00 0.00 C ATOM 458 OG1 THR A 29 -6.705 -6.388 5.713 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.829 -8.696 5.409 1.00 0.00 C ATOM 0 H THR A 29 -6.721 -5.697 7.921 1.00 0.00 H new ATOM 0 HA THR A 29 -8.624 -7.619 7.011 1.00 0.00 H new ATOM 0 HB THR A 29 -5.604 -7.784 6.928 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.077 -5.721 6.061 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.021 -8.707 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.881 -9.664 5.907 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.774 -8.497 4.903 1.00 0.00 H new ATOM 467 N ALA A 30 -6.453 -8.800 9.161 1.00 0.00 N ATOM 468 CA ALA A 30 -6.259 -9.846 10.151 1.00 0.00 C ATOM 469 C ALA A 30 -7.459 -9.873 11.100 1.00 0.00 C ATOM 470 O ALA A 30 -7.891 -10.941 11.531 1.00 0.00 O ATOM 471 CB ALA A 30 -4.939 -9.613 10.887 1.00 0.00 C ATOM 0 H ALA A 30 -5.643 -8.198 9.012 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.197 -10.823 9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.793 -10.397 11.630 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.116 -9.632 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.966 -8.643 11.384 1.00 0.00 H new ATOM 477 N THR A 31 -7.964 -8.684 11.397 1.00 0.00 N ATOM 478 CA THR A 31 -9.106 -8.558 12.288 1.00 0.00 C ATOM 479 C THR A 31 -10.319 -9.285 11.705 1.00 0.00 C ATOM 480 O THR A 31 -11.096 -9.892 12.440 1.00 0.00 O ATOM 481 CB THR A 31 -9.350 -7.068 12.534 1.00 0.00 C ATOM 482 OG1 THR A 31 -8.153 -6.619 13.164 1.00 0.00 O ATOM 483 CG2 THR A 31 -10.438 -6.819 13.581 1.00 0.00 C ATOM 0 H THR A 31 -7.604 -7.800 11.037 1.00 0.00 H new ATOM 0 HA THR A 31 -8.913 -9.034 13.250 1.00 0.00 H new ATOM 0 HB THR A 31 -9.630 -6.586 11.597 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.654 -6.045 12.546 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.572 -5.746 13.718 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.375 -7.262 13.244 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.143 -7.272 14.528 1.00 0.00 H new ATOM 491 N VAL A 32 -10.445 -9.198 10.389 1.00 0.00 N ATOM 492 CA VAL A 32 -11.551 -9.840 9.699 1.00 0.00 C ATOM 493 C VAL A 32 -11.428 -11.358 9.849 1.00 0.00 C ATOM 494 O VAL A 32 -12.398 -12.086 9.644 1.00 0.00 O ATOM 495 CB VAL A 32 -11.591 -9.385 8.238 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.566 -10.239 7.425 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.945 -7.900 8.136 1.00 0.00 C ATOM 0 H VAL A 32 -9.799 -8.693 9.782 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.501 -9.545 10.144 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.595 -9.521 7.817 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.576 -9.895 6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.251 -11.282 7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.567 -10.149 7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.967 -7.602 7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.924 -7.728 8.582 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.196 -7.310 8.665 1.00 0.00 H new ATOM 507 N LEU A 33 -10.228 -11.790 10.205 1.00 0.00 N ATOM 508 CA LEU A 33 -9.966 -13.208 10.385 1.00 0.00 C ATOM 509 C LEU A 33 -9.890 -13.523 11.880 1.00 0.00 C ATOM 510 O LEU A 33 -9.185 -14.444 12.290 1.00 0.00 O ATOM 511 CB LEU A 33 -8.717 -13.625 9.605 1.00 0.00 C ATOM 512 CG LEU A 33 -8.625 -13.116 8.165 1.00 0.00 C ATOM 513 CD1 LEU A 33 -7.217 -13.322 7.600 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.696 -13.763 7.285 1.00 0.00 C ATOM 0 H LEU A 33 -9.426 -11.183 10.374 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.783 -13.801 9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.839 -13.276 10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.670 -14.714 9.588 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.817 -12.043 8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.178 -12.952 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.497 -12.777 8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.972 -14.384 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.608 -13.384 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.560 -14.845 7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.684 -13.522 7.678 1.00 0.00 H new ATOM 526 N GLY A 34 -10.627 -12.740 12.655 1.00 0.00 N ATOM 527 CA GLY A 34 -10.652 -12.923 14.096 1.00 0.00 C ATOM 528 C GLY A 34 -9.257 -13.253 14.632 1.00 0.00 C ATOM 529 O GLY A 34 -9.097 -14.173 15.431 1.00 0.00 O ATOM 0 H GLY A 34 -11.211 -11.978 12.312 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.024 -12.017 14.575 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.343 -13.726 14.352 1.00 0.00 H new ATOM 533 N HIS A 35 -8.284 -12.482 14.169 1.00 0.00 N ATOM 534 CA HIS A 35 -6.908 -12.681 14.591 1.00 0.00 C ATOM 535 C HIS A 35 -6.103 -11.405 14.335 1.00 0.00 C ATOM 536 O HIS A 35 -6.197 -10.812 13.261 1.00 0.00 O ATOM 537 CB HIS A 35 -6.302 -13.910 13.911 1.00 0.00 C ATOM 538 CG HIS A 35 -6.413 -15.178 14.723 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.824 -16.383 14.179 1.00 0.00 N ATOM 540 CD2 HIS A 35 -6.162 -15.417 16.042 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.818 -17.298 15.137 1.00 0.00 C ATOM 542 NE2 HIS A 35 -6.407 -16.697 16.291 1.00 0.00 N ATOM 0 H HIS A 35 -8.421 -11.719 13.506 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.879 -12.880 15.662 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.795 -14.061 12.951 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.250 -13.715 13.702 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.821 -14.688 16.762 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.091 -18.337 15.024 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.305 -17.156 17.196 1.00 0.00 H new ATOM 550 N ASP A 36 -5.330 -11.019 15.340 1.00 0.00 N ATOM 551 CA ASP A 36 -4.509 -9.824 15.237 1.00 0.00 C ATOM 552 C ASP A 36 -3.039 -10.229 15.121 1.00 0.00 C ATOM 553 O ASP A 36 -2.263 -10.041 16.057 1.00 0.00 O ATOM 554 CB ASP A 36 -4.661 -8.943 16.478 1.00 0.00 C ATOM 555 CG ASP A 36 -4.792 -9.705 17.799 1.00 0.00 C ATOM 556 OD1 ASP A 36 -5.883 -10.168 18.164 1.00 0.00 O ATOM 557 OD2 ASP A 36 -3.699 -9.816 18.475 1.00 0.00 O ATOM 0 H ASP A 36 -5.255 -11.513 16.229 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.833 -9.267 14.358 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.798 -8.280 16.542 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.540 -8.311 16.351 1.00 0.00 H new ATOM 563 N ASP A 37 -2.698 -10.779 13.964 1.00 0.00 N ATOM 564 CA ASP A 37 -1.334 -11.212 13.714 1.00 0.00 C ATOM 565 C ASP A 37 -0.920 -10.789 12.303 1.00 0.00 C ATOM 566 O ASP A 37 -1.142 -11.523 11.341 1.00 0.00 O ATOM 567 CB ASP A 37 -1.215 -12.734 13.805 1.00 0.00 C ATOM 568 CG ASP A 37 -1.687 -13.342 15.127 1.00 0.00 C ATOM 569 OD1 ASP A 37 -2.090 -12.622 16.053 1.00 0.00 O ATOM 570 OD2 ASP A 37 -1.629 -14.629 15.187 1.00 0.00 O ATOM 0 H ASP A 37 -3.343 -10.934 13.190 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.691 -10.754 14.466 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.791 -13.177 12.993 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.173 -13.012 13.646 1.00 0.00 H new ATOM 576 N PRO A 38 -0.311 -9.576 12.222 1.00 0.00 N ATOM 577 CA PRO A 38 0.137 -9.047 10.945 1.00 0.00 C ATOM 578 C PRO A 38 1.407 -9.756 10.472 1.00 0.00 C ATOM 579 O PRO A 38 1.763 -9.682 9.297 1.00 0.00 O ATOM 580 CB PRO A 38 0.340 -7.560 11.185 1.00 0.00 C ATOM 581 CG PRO A 38 0.449 -7.392 12.692 1.00 0.00 C ATOM 582 CD PRO A 38 -0.031 -8.680 13.340 1.00 0.00 C ATOM 0 HA PRO A 38 -0.584 -9.213 10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.241 -7.203 10.686 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.494 -6.983 10.787 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.479 -7.181 12.979 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.154 -6.548 13.027 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.728 -9.097 14.001 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.922 -8.511 13.945 1.00 0.00 H new ATOM 590 N LYS A 39 2.057 -10.426 11.412 1.00 0.00 N ATOM 591 CA LYS A 39 3.281 -11.148 11.106 1.00 0.00 C ATOM 592 C LYS A 39 3.025 -12.105 9.940 1.00 0.00 C ATOM 593 O LYS A 39 3.962 -12.532 9.267 1.00 0.00 O ATOM 594 CB LYS A 39 3.824 -11.836 12.360 1.00 0.00 C ATOM 595 CG LYS A 39 5.006 -11.060 12.943 1.00 0.00 C ATOM 596 CD LYS A 39 4.659 -10.481 14.316 1.00 0.00 C ATOM 597 CE LYS A 39 4.456 -8.967 14.237 1.00 0.00 C ATOM 598 NZ LYS A 39 5.758 -8.276 14.104 1.00 0.00 N ATOM 0 H LYS A 39 1.759 -10.484 12.386 1.00 0.00 H new ATOM 0 HA LYS A 39 4.062 -10.458 10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.034 -11.916 13.106 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.136 -12.851 12.116 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.870 -11.718 13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.286 -10.254 12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.753 -10.954 14.696 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.457 -10.708 15.023 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.820 -8.723 13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.941 -8.616 15.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.610 -7.247 14.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.384 -8.561 14.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.197 -8.534 13.197 1.00 0.00 H new ATOM 611 N ALA A 40 1.753 -12.413 9.738 1.00 0.00 N ATOM 612 CA ALA A 40 1.363 -13.312 8.665 1.00 0.00 C ATOM 613 C ALA A 40 0.894 -12.491 7.462 1.00 0.00 C ATOM 614 O ALA A 40 0.078 -12.956 6.668 1.00 0.00 O ATOM 615 CB ALA A 40 0.285 -14.273 9.170 1.00 0.00 C ATOM 0 H ALA A 40 0.979 -12.056 10.299 1.00 0.00 H new ATOM 0 HA ALA A 40 2.212 -13.915 8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.007 -14.947 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.677 -14.853 10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.584 -13.704 9.500 1.00 0.00 H new ATOM 621 N VAL A 41 1.430 -11.283 7.366 1.00 0.00 N ATOM 622 CA VAL A 41 1.077 -10.392 6.274 1.00 0.00 C ATOM 623 C VAL A 41 2.341 -9.704 5.753 1.00 0.00 C ATOM 624 O VAL A 41 3.243 -9.389 6.527 1.00 0.00 O ATOM 625 CB VAL A 41 0.003 -9.403 6.731 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.431 -8.493 5.580 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.198 -10.137 7.332 1.00 0.00 C ATOM 0 H VAL A 41 2.106 -10.900 8.027 1.00 0.00 H new ATOM 0 HA VAL A 41 0.649 -10.956 5.445 1.00 0.00 H new ATOM 0 HB VAL A 41 0.436 -8.775 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.195 -7.800 5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.429 -7.931 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.837 -9.099 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.947 -9.411 7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.630 -10.801 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.873 -10.722 8.192 1.00 0.00 H new ATOM 637 N ARG A 42 2.365 -9.492 4.446 1.00 0.00 N ATOM 638 CA ARG A 42 3.503 -8.847 3.813 1.00 0.00 C ATOM 639 C ARG A 42 3.042 -7.635 3.001 1.00 0.00 C ATOM 640 O ARG A 42 3.825 -7.049 2.255 1.00 0.00 O ATOM 641 CB ARG A 42 4.244 -9.818 2.892 1.00 0.00 C ATOM 642 CG ARG A 42 5.489 -10.382 3.578 1.00 0.00 C ATOM 643 CD ARG A 42 5.110 -11.421 4.635 1.00 0.00 C ATOM 644 NE ARG A 42 6.206 -11.566 5.618 1.00 0.00 N ATOM 645 CZ ARG A 42 7.243 -12.419 5.476 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.333 -13.212 4.386 1.00 0.00 N ATOM 647 NH2 ARG A 42 8.167 -12.467 6.417 1.00 0.00 N ATOM 0 H ARG A 42 1.615 -9.755 3.807 1.00 0.00 H new ATOM 0 HA ARG A 42 4.182 -8.523 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.580 -10.634 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.531 -9.306 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.144 -10.837 2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.050 -9.572 4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.194 -11.119 5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.909 -12.380 4.158 1.00 0.00 H new ATOM 0 HE ARG A 42 6.176 -10.985 6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.615 -13.169 3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.119 -13.854 4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.092 -11.865 7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.957 -13.106 6.324 1.00 0.00 H new ATOM 660 N ALA A 43 1.774 -7.294 3.174 1.00 0.00 N ATOM 661 CA ALA A 43 1.199 -6.162 2.467 1.00 0.00 C ATOM 662 C ALA A 43 0.759 -6.609 1.071 1.00 0.00 C ATOM 663 O ALA A 43 -0.376 -6.361 0.666 1.00 0.00 O ATOM 664 CB ALA A 43 2.217 -5.020 2.419 1.00 0.00 C ATOM 0 H ALA A 43 1.128 -7.782 3.794 1.00 0.00 H new ATOM 0 HA ALA A 43 0.317 -5.791 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.786 -4.171 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.476 -4.720 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.115 -5.355 1.899 1.00 0.00 H new ATOM 670 N THR A 44 1.679 -7.259 0.375 1.00 0.00 N ATOM 671 CA THR A 44 1.400 -7.743 -0.966 1.00 0.00 C ATOM 672 C THR A 44 0.853 -9.171 -0.916 1.00 0.00 C ATOM 673 O THR A 44 1.035 -9.942 -1.856 1.00 0.00 O ATOM 674 CB THR A 44 2.681 -7.611 -1.793 1.00 0.00 C ATOM 675 OG1 THR A 44 3.709 -8.057 -0.913 1.00 0.00 O ATOM 676 CG2 THR A 44 3.044 -6.153 -2.082 1.00 0.00 C ATOM 0 H THR A 44 2.619 -7.462 0.715 1.00 0.00 H new ATOM 0 HA THR A 44 0.623 -7.148 -1.447 1.00 0.00 H new ATOM 0 HB THR A 44 2.563 -8.149 -2.734 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.575 -8.006 -1.369 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.960 -6.116 -2.671 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.235 -5.680 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.196 -5.623 -1.142 1.00 0.00 H new ATOM 684 N THR A 45 0.195 -9.479 0.192 1.00 0.00 N ATOM 685 CA THR A 45 -0.380 -10.801 0.378 1.00 0.00 C ATOM 686 C THR A 45 -1.768 -10.873 -0.260 1.00 0.00 C ATOM 687 O THR A 45 -2.514 -9.895 -0.245 1.00 0.00 O ATOM 688 CB THR A 45 -0.382 -11.109 1.876 1.00 0.00 C ATOM 689 OG1 THR A 45 0.649 -12.079 2.033 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.651 -11.838 2.322 1.00 0.00 C ATOM 0 H THR A 45 0.047 -8.836 0.970 1.00 0.00 H new ATOM 0 HA THR A 45 0.213 -11.565 -0.124 1.00 0.00 H new ATOM 0 HB THR A 45 -0.281 -10.180 2.437 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.717 -12.334 2.977 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.601 -12.033 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.521 -11.219 2.106 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.736 -12.783 1.785 1.00 0.00 H new ATOM 698 N PRO A 46 -2.082 -12.073 -0.819 1.00 0.00 N ATOM 699 CA PRO A 46 -3.368 -12.286 -1.461 1.00 0.00 C ATOM 700 C PRO A 46 -4.480 -12.440 -0.422 1.00 0.00 C ATOM 701 O PRO A 46 -4.299 -13.112 0.592 1.00 0.00 O ATOM 702 CB PRO A 46 -3.179 -13.527 -2.318 1.00 0.00 C ATOM 703 CG PRO A 46 -1.947 -14.228 -1.770 1.00 0.00 C ATOM 704 CD PRO A 46 -1.224 -13.253 -0.855 1.00 0.00 C ATOM 0 HA PRO A 46 -3.678 -11.439 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.054 -14.175 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.043 -13.261 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.231 -15.126 -1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.294 -14.544 -2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.086 -13.673 0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.233 -13.010 -1.239 1.00 0.00 H new ATOM 712 N PHE A 47 -5.608 -11.807 -0.710 1.00 0.00 N ATOM 713 CA PHE A 47 -6.750 -11.865 0.187 1.00 0.00 C ATOM 714 C PHE A 47 -7.371 -13.264 0.193 1.00 0.00 C ATOM 715 O PHE A 47 -7.756 -13.771 1.245 1.00 0.00 O ATOM 716 CB PHE A 47 -7.781 -10.864 -0.336 1.00 0.00 C ATOM 717 CG PHE A 47 -8.368 -11.231 -1.701 1.00 0.00 C ATOM 718 CD1 PHE A 47 -9.350 -12.167 -1.789 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.908 -10.619 -2.825 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.894 -12.508 -3.056 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.452 -10.960 -4.092 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.434 -11.897 -4.180 1.00 0.00 C ATOM 0 H PHE A 47 -5.756 -11.251 -1.552 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.437 -11.631 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.593 -10.783 0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.315 -9.881 -0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.716 -12.651 -0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.129 -9.874 -2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.673 -13.253 -3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.086 -10.475 -4.985 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.848 -12.156 -5.143 1.00 0.00 H new ATOM 732 N LYS A 48 -7.449 -13.846 -0.994 1.00 0.00 N ATOM 733 CA LYS A 48 -8.017 -15.176 -1.139 1.00 0.00 C ATOM 734 C LYS A 48 -7.138 -16.185 -0.397 1.00 0.00 C ATOM 735 O LYS A 48 -7.528 -17.337 -0.215 1.00 0.00 O ATOM 736 CB LYS A 48 -8.226 -15.511 -2.617 1.00 0.00 C ATOM 737 CG LYS A 48 -9.553 -16.242 -2.832 1.00 0.00 C ATOM 738 CD LYS A 48 -9.329 -17.601 -3.497 1.00 0.00 C ATOM 739 CE LYS A 48 -9.585 -18.743 -2.511 1.00 0.00 C ATOM 740 NZ LYS A 48 -9.642 -20.039 -3.223 1.00 0.00 N ATOM 0 H LYS A 48 -7.129 -13.422 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.006 -15.220 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.212 -14.594 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.403 -16.131 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.055 -16.380 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.211 -15.634 -3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.991 -17.703 -4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.308 -17.662 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.795 -18.768 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.522 -18.571 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.816 -20.803 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.412 -20.017 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.738 -20.208 -3.709 1.00 0.00 H new ATOM 753 N GLU A 49 -5.968 -15.715 0.010 1.00 0.00 N ATOM 754 CA GLU A 49 -5.031 -16.562 0.728 1.00 0.00 C ATOM 755 C GLU A 49 -5.314 -16.513 2.231 1.00 0.00 C ATOM 756 O GLU A 49 -5.171 -17.517 2.926 1.00 0.00 O ATOM 757 CB GLU A 49 -3.586 -16.157 0.429 1.00 0.00 C ATOM 758 CG GLU A 49 -2.688 -16.392 1.645 1.00 0.00 C ATOM 759 CD GLU A 49 -2.671 -17.872 2.036 1.00 0.00 C ATOM 760 OE1 GLU A 49 -3.530 -18.642 1.583 1.00 0.00 O ATOM 761 OE2 GLU A 49 -1.722 -18.212 2.840 1.00 0.00 O ATOM 0 H GLU A 49 -5.648 -14.759 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.165 -17.588 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.212 -16.730 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.551 -15.105 0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.674 -16.059 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.043 -15.794 2.485 1.00 0.00 H new ATOM 769 N LEU A 50 -5.711 -15.334 2.688 1.00 0.00 N ATOM 770 CA LEU A 50 -6.016 -15.141 4.095 1.00 0.00 C ATOM 771 C LEU A 50 -7.464 -15.558 4.361 1.00 0.00 C ATOM 772 O LEU A 50 -7.867 -15.714 5.512 1.00 0.00 O ATOM 773 CB LEU A 50 -5.701 -13.705 4.519 1.00 0.00 C ATOM 774 CG LEU A 50 -6.513 -12.608 3.827 1.00 0.00 C ATOM 775 CD1 LEU A 50 -7.929 -12.529 4.400 1.00 0.00 C ATOM 776 CD2 LEU A 50 -5.789 -11.262 3.899 1.00 0.00 C ATOM 0 H LEU A 50 -5.828 -14.503 2.108 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.383 -15.777 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.858 -13.622 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.643 -13.517 4.336 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.607 -12.867 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.484 -11.741 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.435 -13.483 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.878 -12.306 5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.387 -10.500 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.643 -10.983 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.820 -11.343 3.406 1.00 0.00 H new ATOM 788 N GLY A 51 -8.206 -15.726 3.276 1.00 0.00 N ATOM 789 CA GLY A 51 -9.600 -16.121 3.378 1.00 0.00 C ATOM 790 C GLY A 51 -10.524 -14.906 3.276 1.00 0.00 C ATOM 791 O GLY A 51 -11.283 -14.619 4.200 1.00 0.00 O ATOM 0 H GLY A 51 -7.868 -15.596 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.839 -16.831 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.768 -16.632 4.326 1.00 0.00 H new ATOM 795 N PHE A 52 -10.429 -14.224 2.144 1.00 0.00 N ATOM 796 CA PHE A 52 -11.247 -13.046 1.909 1.00 0.00 C ATOM 797 C PHE A 52 -12.067 -13.195 0.626 1.00 0.00 C ATOM 798 O PHE A 52 -11.574 -13.712 -0.374 1.00 0.00 O ATOM 799 CB PHE A 52 -10.290 -11.861 1.754 1.00 0.00 C ATOM 800 CG PHE A 52 -10.214 -10.957 2.986 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.457 -11.471 4.222 1.00 0.00 C ATOM 802 CD2 PHE A 52 -9.903 -9.641 2.845 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.387 -10.632 5.365 1.00 0.00 C ATOM 804 CE2 PHE A 52 -9.832 -8.802 3.989 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.076 -9.315 5.225 1.00 0.00 C ATOM 0 H PHE A 52 -9.798 -14.465 1.380 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.941 -12.903 2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.292 -12.240 1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.603 -11.264 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.703 -12.517 4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.710 -9.234 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.581 -11.039 6.346 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.584 -7.757 3.877 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.023 -8.677 6.095 1.00 0.00 H new ATOM 815 N ASP A 53 -13.307 -12.731 0.698 1.00 0.00 N ATOM 816 CA ASP A 53 -14.201 -12.806 -0.445 1.00 0.00 C ATOM 817 C ASP A 53 -15.326 -11.784 -0.275 1.00 0.00 C ATOM 818 O ASP A 53 -15.272 -10.695 -0.845 1.00 0.00 O ATOM 819 CB ASP A 53 -14.835 -14.194 -0.557 1.00 0.00 C ATOM 820 CG ASP A 53 -13.959 -15.254 -1.228 1.00 0.00 C ATOM 821 OD1 ASP A 53 -13.723 -16.335 -0.668 1.00 0.00 O ATOM 822 OD2 ASP A 53 -13.504 -14.928 -2.390 1.00 0.00 O ATOM 0 H ASP A 53 -13.713 -12.302 1.530 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.618 -12.602 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.095 -14.540 0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.766 -14.107 -1.116 1.00 0.00 H new ATOM 828 N SER A 54 -16.319 -12.170 0.512 1.00 0.00 N ATOM 829 CA SER A 54 -17.456 -11.301 0.765 1.00 0.00 C ATOM 830 C SER A 54 -17.570 -11.011 2.263 1.00 0.00 C ATOM 831 O SER A 54 -17.343 -9.884 2.699 1.00 0.00 O ATOM 832 CB SER A 54 -18.752 -11.924 0.244 1.00 0.00 C ATOM 833 OG SER A 54 -18.745 -12.066 -1.174 1.00 0.00 O ATOM 0 H SER A 54 -16.360 -13.074 0.983 1.00 0.00 H new ATOM 0 HA SER A 54 -17.296 -10.364 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.895 -12.901 0.705 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.597 -11.304 0.542 1.00 0.00 H new ATOM 0 HG SER A 54 -19.589 -12.469 -1.467 1.00 0.00 H new ATOM 839 N LEU A 55 -17.923 -12.048 3.008 1.00 0.00 N ATOM 840 CA LEU A 55 -18.070 -11.918 4.448 1.00 0.00 C ATOM 841 C LEU A 55 -16.876 -11.146 5.011 1.00 0.00 C ATOM 842 O LEU A 55 -17.050 -10.148 5.709 1.00 0.00 O ATOM 843 CB LEU A 55 -18.273 -13.292 5.091 1.00 0.00 C ATOM 844 CG LEU A 55 -19.725 -13.715 5.324 1.00 0.00 C ATOM 845 CD1 LEU A 55 -19.871 -15.237 5.247 1.00 0.00 C ATOM 846 CD2 LEU A 55 -20.255 -13.155 6.645 1.00 0.00 C ATOM 0 H LEU A 55 -18.111 -12.981 2.642 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.964 -11.343 4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.794 -14.041 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.754 -13.303 6.049 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.336 -13.291 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.912 -15.512 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -19.560 -15.583 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.245 -15.702 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.289 -13.471 6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.646 -13.528 7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.208 -12.066 6.624 1.00 0.00 H new ATOM 858 N ALA A 56 -15.688 -11.636 4.687 1.00 0.00 N ATOM 859 CA ALA A 56 -14.465 -11.005 5.152 1.00 0.00 C ATOM 860 C ALA A 56 -14.372 -9.594 4.568 1.00 0.00 C ATOM 861 O ALA A 56 -13.945 -8.663 5.250 1.00 0.00 O ATOM 862 CB ALA A 56 -13.265 -11.874 4.772 1.00 0.00 C ATOM 0 H ALA A 56 -15.547 -12.463 4.108 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.469 -10.913 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.348 -11.400 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.365 -12.856 5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.226 -11.986 3.689 1.00 0.00 H new ATOM 868 N ALA A 57 -14.777 -9.479 3.312 1.00 0.00 N ATOM 869 CA ALA A 57 -14.744 -8.198 2.629 1.00 0.00 C ATOM 870 C ALA A 57 -15.682 -7.221 3.340 1.00 0.00 C ATOM 871 O ALA A 57 -15.379 -6.034 3.453 1.00 0.00 O ATOM 872 CB ALA A 57 -15.114 -8.394 1.157 1.00 0.00 C ATOM 0 H ALA A 57 -15.130 -10.253 2.749 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.741 -7.773 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.089 -7.432 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.400 -9.073 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.116 -8.817 1.087 1.00 0.00 H new ATOM 878 N VAL A 58 -16.803 -7.756 3.802 1.00 0.00 N ATOM 879 CA VAL A 58 -17.787 -6.947 4.500 1.00 0.00 C ATOM 880 C VAL A 58 -17.209 -6.492 5.841 1.00 0.00 C ATOM 881 O VAL A 58 -17.322 -5.323 6.206 1.00 0.00 O ATOM 882 CB VAL A 58 -19.096 -7.725 4.646 1.00 0.00 C ATOM 883 CG1 VAL A 58 -19.833 -7.324 5.926 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.988 -7.534 3.417 1.00 0.00 C ATOM 0 H VAL A 58 -17.051 -8.741 3.706 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.020 -6.050 3.926 1.00 0.00 H new ATOM 0 HB VAL A 58 -18.849 -8.784 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.760 -7.892 6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.203 -7.535 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.062 -6.259 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.912 -8.098 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.222 -6.476 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.466 -7.892 2.530 1.00 0.00 H new ATOM 894 N ARG A 59 -16.602 -7.441 6.540 1.00 0.00 N ATOM 895 CA ARG A 59 -16.006 -7.152 7.833 1.00 0.00 C ATOM 896 C ARG A 59 -14.837 -6.178 7.674 1.00 0.00 C ATOM 897 O ARG A 59 -14.541 -5.404 8.582 1.00 0.00 O ATOM 898 CB ARG A 59 -15.506 -8.432 8.507 1.00 0.00 C ATOM 899 CG ARG A 59 -16.047 -8.547 9.934 1.00 0.00 C ATOM 900 CD ARG A 59 -17.343 -9.360 9.965 1.00 0.00 C ATOM 901 NE ARG A 59 -18.497 -8.463 10.194 1.00 0.00 N ATOM 902 CZ ARG A 59 -19.723 -8.887 10.568 1.00 0.00 C ATOM 903 NH1 ARG A 59 -19.965 -10.202 10.758 1.00 0.00 N ATOM 904 NH2 ARG A 59 -20.682 -7.997 10.744 1.00 0.00 N ATOM 0 H ARG A 59 -16.510 -8.410 6.235 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.776 -6.701 8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.818 -9.299 7.925 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.416 -8.436 8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.301 -9.020 10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.228 -7.552 10.339 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.469 -9.895 9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.293 -10.110 10.754 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.358 -7.461 10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.219 -10.883 10.619 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.894 -10.514 11.041 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.491 -7.006 10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.614 -8.301 11.026 1.00 0.00 H new ATOM 917 N LEU A 60 -14.204 -6.249 6.512 1.00 0.00 N ATOM 918 CA LEU A 60 -13.074 -5.383 6.221 1.00 0.00 C ATOM 919 C LEU A 60 -13.588 -4.001 5.811 1.00 0.00 C ATOM 920 O LEU A 60 -13.025 -2.983 6.209 1.00 0.00 O ATOM 921 CB LEU A 60 -12.155 -6.031 5.183 1.00 0.00 C ATOM 922 CG LEU A 60 -10.996 -5.167 4.681 1.00 0.00 C ATOM 923 CD1 LEU A 60 -9.772 -5.311 5.588 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.668 -5.484 3.221 1.00 0.00 C ATOM 0 H LEU A 60 -14.452 -6.893 5.761 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.461 -5.244 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.742 -6.944 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.760 -6.327 4.326 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.306 -4.123 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.963 -4.687 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.030 -4.997 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.451 -6.352 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.841 -4.856 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.386 -6.533 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.543 -5.289 2.601 1.00 0.00 H new ATOM 936 N ARG A 61 -14.651 -4.011 5.020 1.00 0.00 N ATOM 937 CA ARG A 61 -15.247 -2.772 4.552 1.00 0.00 C ATOM 938 C ARG A 61 -15.743 -1.941 5.736 1.00 0.00 C ATOM 939 O ARG A 61 -15.501 -0.736 5.799 1.00 0.00 O ATOM 940 CB ARG A 61 -16.416 -3.047 3.604 1.00 0.00 C ATOM 941 CG ARG A 61 -15.960 -3.008 2.144 1.00 0.00 C ATOM 942 CD ARG A 61 -16.782 -1.999 1.340 1.00 0.00 C ATOM 943 NE ARG A 61 -18.212 -2.106 1.704 1.00 0.00 N ATOM 944 CZ ARG A 61 -18.996 -3.161 1.392 1.00 0.00 C ATOM 945 NH1 ARG A 61 -18.493 -4.209 0.707 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.261 -3.151 1.768 1.00 0.00 N ATOM 0 H ARG A 61 -15.115 -4.858 4.692 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.479 -2.218 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.848 -4.022 3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.200 -2.307 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.904 -2.743 2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.060 -3.999 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.423 -0.988 1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.655 -2.182 0.273 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.632 -1.335 2.223 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.514 -4.209 0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.092 -5.002 0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.633 -2.355 2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.867 -3.939 1.541 1.00 0.00 H new ATOM 959 N ASN A 62 -16.429 -2.617 6.646 1.00 0.00 N ATOM 960 CA ASN A 62 -16.962 -1.956 7.825 1.00 0.00 C ATOM 961 C ASN A 62 -15.825 -1.250 8.567 1.00 0.00 C ATOM 962 O ASN A 62 -16.006 -0.150 9.086 1.00 0.00 O ATOM 963 CB ASN A 62 -17.597 -2.965 8.784 1.00 0.00 C ATOM 964 CG ASN A 62 -19.118 -2.996 8.620 1.00 0.00 C ATOM 965 OD1 ASN A 62 -19.857 -2.322 9.318 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.542 -3.814 7.660 1.00 0.00 N ATOM 0 H ASN A 62 -16.628 -3.616 6.591 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.720 -1.244 7.498 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.187 -3.958 8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.344 -2.704 9.812 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.540 -3.905 7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.869 -4.350 7.112 1.00 0.00 H new ATOM 973 N LEU A 63 -14.678 -1.913 8.593 1.00 0.00 N ATOM 974 CA LEU A 63 -13.511 -1.363 9.263 1.00 0.00 C ATOM 975 C LEU A 63 -12.864 -0.307 8.365 1.00 0.00 C ATOM 976 O LEU A 63 -12.655 0.829 8.787 1.00 0.00 O ATOM 977 CB LEU A 63 -12.557 -2.483 9.682 1.00 0.00 C ATOM 978 CG LEU A 63 -12.275 -2.598 11.182 1.00 0.00 C ATOM 979 CD1 LEU A 63 -11.362 -1.466 11.657 1.00 0.00 C ATOM 980 CD2 LEU A 63 -13.579 -2.656 11.981 1.00 0.00 C ATOM 0 H LEU A 63 -14.532 -2.825 8.161 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.802 -0.862 10.186 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.968 -3.432 9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.609 -2.338 9.164 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.746 -3.534 11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.178 -1.572 12.726 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.415 -1.512 11.119 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.842 -0.506 11.465 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.351 -2.738 13.044 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.156 -1.749 11.802 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.160 -3.523 11.667 1.00 0.00 H new ATOM 992 N LEU A 64 -12.563 -0.720 7.142 1.00 0.00 N ATOM 993 CA LEU A 64 -11.944 0.177 6.181 1.00 0.00 C ATOM 994 C LEU A 64 -12.730 1.488 6.132 1.00 0.00 C ATOM 995 O LEU A 64 -12.144 2.565 6.041 1.00 0.00 O ATOM 996 CB LEU A 64 -11.806 -0.509 4.820 1.00 0.00 C ATOM 997 CG LEU A 64 -10.473 -1.212 4.555 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.374 -1.667 3.097 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.295 -0.324 4.959 1.00 0.00 C ATOM 0 H LEU A 64 -12.736 -1.663 6.795 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.929 0.426 6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.606 -1.242 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.961 0.238 4.041 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.429 -2.107 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.417 -2.164 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.185 -2.361 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.449 -0.801 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.360 -0.847 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.322 0.601 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.362 -0.092 6.022 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.047 1.354 6.195 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.920 2.514 6.158 1.00 0.00 C ATOM 1013 C ASN A 65 -14.527 3.478 7.280 1.00 0.00 C ATOM 1014 O ASN A 65 -14.743 4.684 7.172 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.381 2.112 6.371 1.00 0.00 C ATOM 1016 CG ASN A 65 -16.923 1.354 5.157 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -16.289 1.258 4.119 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -18.127 0.822 5.345 1.00 0.00 N ATOM 0 H ASN A 65 -14.530 0.459 6.271 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.814 2.984 5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.464 1.488 7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.985 3.002 6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.575 0.296 4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.603 0.940 6.239 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.958 2.909 8.333 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.533 3.702 9.474 1.00 0.00 C ATOM 1027 C ALA A 66 -12.125 4.244 9.217 1.00 0.00 C ATOM 1028 O ALA A 66 -11.494 4.794 10.118 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.607 2.852 10.743 1.00 0.00 C ATOM 0 H ALA A 66 -13.781 1.908 8.420 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.195 4.556 9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.288 3.447 11.599 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.632 2.516 10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.953 1.986 10.640 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.675 4.071 7.983 1.00 0.00 N ATOM 1036 CA ALA A 67 -10.354 4.535 7.596 1.00 0.00 C ATOM 1037 C ALA A 67 -10.439 5.222 6.231 1.00 0.00 C ATOM 1038 O ALA A 67 -9.462 5.252 5.485 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.378 3.357 7.595 1.00 0.00 C ATOM 0 H ALA A 67 -12.202 3.616 7.238 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.980 5.267 8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.387 3.706 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.331 2.922 8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.719 2.602 6.886 1.00 0.00 H new ATOM 1045 N THR A 68 -11.617 5.758 5.946 1.00 0.00 N ATOM 1046 CA THR A 68 -11.842 6.443 4.685 1.00 0.00 C ATOM 1047 C THR A 68 -12.865 7.567 4.863 1.00 0.00 C ATOM 1048 O THR A 68 -12.566 8.730 4.600 1.00 0.00 O ATOM 1049 CB THR A 68 -12.262 5.398 3.649 1.00 0.00 C ATOM 1050 OG1 THR A 68 -13.183 4.566 4.348 1.00 0.00 O ATOM 1051 CG2 THR A 68 -11.118 4.454 3.272 1.00 0.00 C ATOM 0 H THR A 68 -12.426 5.732 6.567 1.00 0.00 H new ATOM 0 HA THR A 68 -10.932 6.928 4.330 1.00 0.00 H new ATOM 0 HB THR A 68 -12.627 5.901 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.694 3.859 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.470 3.733 2.534 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.294 5.031 2.852 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.774 3.925 4.161 1.00 0.00 H new ATOM 1059 N GLY A 69 -14.051 7.179 5.309 1.00 0.00 N ATOM 1060 CA GLY A 69 -15.119 8.139 5.526 1.00 0.00 C ATOM 1061 C GLY A 69 -16.392 7.719 4.788 1.00 0.00 C ATOM 1062 O GLY A 69 -17.473 8.240 5.060 1.00 0.00 O ATOM 0 H GLY A 69 -14.295 6.213 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.324 8.225 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.803 9.124 5.182 1.00 0.00 H new ATOM 1066 N LEU A 70 -16.222 6.781 3.868 1.00 0.00 N ATOM 1067 CA LEU A 70 -17.344 6.285 3.089 1.00 0.00 C ATOM 1068 C LEU A 70 -17.499 4.781 3.327 1.00 0.00 C ATOM 1069 O LEU A 70 -16.855 4.219 4.211 1.00 0.00 O ATOM 1070 CB LEU A 70 -17.181 6.661 1.615 1.00 0.00 C ATOM 1071 CG LEU A 70 -15.855 6.260 0.964 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -16.038 5.994 -0.532 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -14.774 7.309 1.232 1.00 0.00 C ATOM 0 H LEU A 70 -15.324 6.351 3.644 1.00 0.00 H new ATOM 0 HA LEU A 70 -18.271 6.757 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -17.993 6.202 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -17.298 7.741 1.521 1.00 0.00 H new ATOM 0 HG LEU A 70 -15.519 5.328 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -15.081 5.711 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.755 5.185 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.408 6.896 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.842 7.000 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.089 8.269 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.620 7.407 2.307 1.00 0.00 H new ATOM 1085 N ARG A 71 -18.358 4.173 2.522 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.606 2.746 2.634 1.00 0.00 C ATOM 1087 C ARG A 71 -17.680 1.971 1.695 1.00 0.00 C ATOM 1088 O ARG A 71 -17.767 0.747 1.601 1.00 0.00 O ATOM 1089 CB ARG A 71 -20.060 2.411 2.295 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.517 1.148 3.027 1.00 0.00 C ATOM 1091 CD ARG A 71 -22.021 0.926 2.852 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.636 0.575 4.151 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.050 1.481 5.062 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -22.917 2.803 4.823 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -23.586 1.055 6.191 1.00 0.00 N ATOM 0 H ARG A 71 -18.891 4.643 1.790 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.409 2.456 3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.703 3.247 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -20.163 2.269 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -19.972 0.285 2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.279 1.232 4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.486 1.827 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.198 0.129 2.130 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.755 -0.414 4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -22.501 3.124 3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -23.232 3.481 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -23.682 0.054 6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.904 1.726 6.890 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.813 2.715 1.024 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.871 2.113 0.096 1.00 0.00 C ATOM 1110 C LEU A 72 -16.633 1.237 -0.901 1.00 0.00 C ATOM 1111 O LEU A 72 -17.794 0.902 -0.677 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.772 1.366 0.856 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.567 2.205 1.287 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.525 1.340 1.999 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.970 2.960 0.098 1.00 0.00 C ATOM 0 H LEU A 72 -16.743 3.729 1.105 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.360 2.884 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.214 0.916 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.415 0.549 0.229 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.909 2.953 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.679 1.960 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.971 0.888 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.182 0.555 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.115 3.548 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.646 2.247 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.723 3.624 -0.327 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.929 0.883 -2.010 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.527 0.053 -3.042 1.00 0.00 C ATOM 1129 C PRO A 73 -16.614 -1.406 -2.590 1.00 0.00 C ATOM 1130 O PRO A 73 -15.790 -1.866 -1.801 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.641 0.245 -4.262 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.327 0.802 -3.740 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.551 1.263 -2.309 1.00 0.00 C ATOM 0 HA PRO A 73 -17.556 0.334 -3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.485 -0.699 -4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.100 0.931 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.548 0.041 -3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.991 1.633 -4.361 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.851 0.785 -1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.407 2.339 -2.212 1.00 0.00 H new ATOM 1141 N SER A 74 -17.621 -2.093 -3.109 1.00 0.00 N ATOM 1142 CA SER A 74 -17.827 -3.491 -2.768 1.00 0.00 C ATOM 1143 C SER A 74 -16.795 -4.362 -3.486 1.00 0.00 C ATOM 1144 O SER A 74 -16.494 -5.468 -3.041 1.00 0.00 O ATOM 1145 CB SER A 74 -19.245 -3.942 -3.127 1.00 0.00 C ATOM 1146 OG SER A 74 -19.491 -3.864 -4.528 1.00 0.00 O ATOM 0 H SER A 74 -18.303 -1.708 -3.763 1.00 0.00 H new ATOM 0 HA SER A 74 -17.701 -3.603 -1.691 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.396 -4.967 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.968 -3.322 -2.597 1.00 0.00 H new ATOM 0 HG SER A 74 -20.405 -4.162 -4.717 1.00 0.00 H new ATOM 1152 N THR A 75 -16.282 -3.831 -4.586 1.00 0.00 N ATOM 1153 CA THR A 75 -15.290 -4.546 -5.370 1.00 0.00 C ATOM 1154 C THR A 75 -13.878 -4.172 -4.914 1.00 0.00 C ATOM 1155 O THR A 75 -12.893 -4.627 -5.494 1.00 0.00 O ATOM 1156 CB THR A 75 -15.550 -4.247 -6.848 1.00 0.00 C ATOM 1157 OG1 THR A 75 -15.335 -2.843 -6.961 1.00 0.00 O ATOM 1158 CG2 THR A 75 -17.019 -4.432 -7.233 1.00 0.00 C ATOM 0 H THR A 75 -16.535 -2.914 -4.953 1.00 0.00 H new ATOM 0 HA THR A 75 -15.371 -5.623 -5.222 1.00 0.00 H new ATOM 0 HB THR A 75 -14.929 -4.897 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.481 -2.563 -7.889 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.149 -4.207 -8.292 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.318 -5.462 -7.041 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.638 -3.758 -6.641 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.824 -3.347 -3.879 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.550 -2.907 -3.338 1.00 0.00 C ATOM 1168 C LEU A 76 -11.729 -4.129 -2.920 1.00 0.00 C ATOM 1169 O LEU A 76 -10.520 -4.175 -3.145 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.767 -1.897 -2.209 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.814 -2.473 -0.793 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -13.980 -3.451 -0.637 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.476 -3.113 -0.417 1.00 0.00 C ATOM 0 H LEU A 76 -14.643 -2.972 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.975 -2.381 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.968 -1.157 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.702 -1.368 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.986 -1.653 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -13.990 -3.846 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.918 -2.933 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.863 -4.272 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.536 -3.515 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.249 -3.919 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.688 -2.362 -0.462 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.418 -5.087 -2.318 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.767 -6.306 -1.867 1.00 0.00 C ATOM 1187 C VAL A 77 -11.690 -7.298 -3.029 1.00 0.00 C ATOM 1188 O VAL A 77 -11.248 -8.432 -2.853 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.500 -6.869 -0.647 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.477 -8.399 -0.653 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -11.908 -6.316 0.651 1.00 0.00 C ATOM 0 H VAL A 77 -13.420 -5.044 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.745 -6.099 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.541 -6.549 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.004 -8.774 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.966 -8.767 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.444 -8.747 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.447 -6.732 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.856 -6.592 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.999 -5.230 0.659 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.128 -6.835 -4.191 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.114 -7.668 -5.381 1.00 0.00 C ATOM 1203 C PHE A 78 -11.061 -7.181 -6.379 1.00 0.00 C ATOM 1204 O PHE A 78 -10.326 -7.983 -6.952 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.498 -7.554 -6.023 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.034 -8.873 -6.585 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.526 -9.820 -5.743 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -14.018 -9.096 -7.926 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -15.023 -11.044 -6.265 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -14.515 -10.320 -8.448 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.007 -11.268 -7.606 1.00 0.00 C ATOM 0 H PHE A 78 -12.495 -5.894 -4.333 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.873 -8.697 -5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.201 -7.174 -5.282 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.455 -6.819 -6.827 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.539 -9.642 -4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -13.628 -8.343 -8.594 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.414 -11.797 -5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -14.502 -10.498 -9.513 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.385 -12.199 -8.003 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.022 -5.868 -6.556 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.071 -5.265 -7.474 1.00 0.00 C ATOM 1223 C ASP A 79 -8.680 -5.268 -6.836 1.00 0.00 C ATOM 1224 O ASP A 79 -7.672 -5.317 -7.538 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.447 -3.814 -7.781 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.052 -3.325 -9.176 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -8.914 -2.887 -9.401 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -10.982 -3.409 -10.067 1.00 0.00 O ATOM 0 H ASP A 79 -11.634 -5.205 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.080 -5.844 -8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.525 -3.701 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.977 -3.168 -7.039 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.671 -5.214 -5.512 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.421 -5.210 -4.772 1.00 0.00 C ATOM 1236 C HIS A 80 -7.035 -6.645 -4.408 1.00 0.00 C ATOM 1237 O HIS A 80 -7.707 -7.287 -3.602 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.516 -4.293 -3.551 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.587 -5.030 -2.234 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -6.612 -5.920 -1.819 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -8.527 -4.999 -1.246 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -6.959 -6.397 -0.633 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -8.146 -5.826 -0.280 1.00 0.00 N ATOM 0 H HIS A 80 -9.510 -5.173 -4.933 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.625 -4.805 -5.397 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.651 -3.630 -3.539 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.399 -3.662 -3.651 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.769 -6.167 -2.338 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.428 -4.403 -1.249 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.400 -7.113 -0.048 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.926 -7.118 -5.036 1.00 0.00 N ATOM 1252 CA PRO A 81 -5.442 -8.466 -4.787 1.00 0.00 C ATOM 1253 C PRO A 81 -4.753 -8.557 -3.424 1.00 0.00 C ATOM 1254 O PRO A 81 -4.882 -9.561 -2.725 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.508 -8.770 -5.947 1.00 0.00 C ATOM 1256 CG PRO A 81 -4.142 -7.424 -6.550 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.105 -6.387 -5.996 1.00 0.00 C ATOM 0 HA PRO A 81 -6.246 -9.200 -4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.619 -9.299 -5.604 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.995 -9.409 -6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.114 -7.161 -6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.207 -7.463 -7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.571 -5.567 -5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.715 -5.951 -6.787 1.00 0.00 H new ATOM 1265 N ASN A 82 -4.034 -7.496 -3.087 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.324 -7.444 -1.821 1.00 0.00 C ATOM 1267 C ASN A 82 -3.621 -6.112 -1.129 1.00 0.00 C ATOM 1268 O ASN A 82 -4.137 -5.186 -1.752 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.812 -7.540 -2.033 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.486 -8.268 -3.339 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.629 -7.737 -4.428 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -1.042 -9.510 -3.170 1.00 0.00 N ATOM 0 H ASN A 82 -3.928 -6.665 -3.669 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.657 -8.285 -1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.380 -6.540 -2.053 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.357 -8.068 -1.195 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.798 -10.079 -3.981 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.946 -9.894 -2.230 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.282 -6.058 0.151 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.506 -4.855 0.934 1.00 0.00 C ATOM 1281 C ALA A 83 -2.867 -3.662 0.222 1.00 0.00 C ATOM 1282 O ALA A 83 -3.538 -2.670 -0.060 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.953 -5.056 2.347 1.00 0.00 C ATOM 0 H ALA A 83 -2.854 -6.828 0.665 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.573 -4.650 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.121 -4.154 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.460 -5.897 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.884 -5.261 2.294 1.00 0.00 H new ATOM 1289 N SER A 84 -1.577 -3.796 -0.049 1.00 0.00 N ATOM 1290 CA SER A 84 -0.839 -2.741 -0.723 1.00 0.00 C ATOM 1291 C SER A 84 -1.719 -2.089 -1.791 1.00 0.00 C ATOM 1292 O SER A 84 -1.609 -0.890 -2.043 1.00 0.00 O ATOM 1293 CB SER A 84 0.446 -3.282 -1.351 1.00 0.00 C ATOM 1294 OG SER A 84 1.534 -2.372 -1.210 1.00 0.00 O ATOM 0 H SER A 84 -1.024 -4.620 0.186 1.00 0.00 H new ATOM 0 HA SER A 84 -0.560 -1.991 0.017 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.705 -4.232 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.276 -3.483 -2.409 1.00 0.00 H new ATOM 0 HG SER A 84 2.336 -2.755 -1.622 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.572 -2.907 -2.391 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.469 -2.424 -3.426 1.00 0.00 C ATOM 1302 C ALA A 85 -4.604 -1.627 -2.780 1.00 0.00 C ATOM 1303 O ALA A 85 -4.843 -0.476 -3.141 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.982 -3.607 -4.249 1.00 0.00 C ATOM 0 H ALA A 85 -2.660 -3.901 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.944 -1.755 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.655 -3.245 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.139 -4.122 -4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.517 -4.298 -3.598 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.275 -2.272 -1.837 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.379 -1.638 -1.137 1.00 0.00 C ATOM 1312 C VAL A 86 -5.964 -0.230 -0.707 1.00 0.00 C ATOM 1313 O VAL A 86 -6.741 0.716 -0.829 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.828 -2.513 0.035 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -6.213 -2.027 1.349 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -8.354 -2.563 0.129 1.00 0.00 C ATOM 0 H VAL A 86 -5.075 -3.228 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.240 -1.536 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.471 -3.526 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.548 -2.666 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.126 -2.068 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.526 -1.000 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.646 -3.191 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.743 -1.555 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.762 -2.978 -0.793 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.738 -0.134 -0.212 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.210 1.143 0.237 1.00 0.00 C ATOM 1328 C ALA A 87 -4.438 2.195 -0.850 1.00 0.00 C ATOM 1329 O ALA A 87 -4.946 3.280 -0.572 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.731 0.986 0.596 1.00 0.00 C ATOM 0 H ALA A 87 -4.096 -0.920 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.729 1.479 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.335 1.944 0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.626 0.250 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.177 0.653 -0.281 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.050 1.837 -2.066 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.206 2.737 -3.196 1.00 0.00 C ATOM 1338 C GLY A 88 -5.683 3.043 -3.453 1.00 0.00 C ATOM 1339 O GLY A 88 -6.105 4.196 -3.369 1.00 0.00 O ATOM 0 H GLY A 88 -3.628 0.936 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.667 3.665 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.763 2.289 -4.086 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.428 1.992 -3.761 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.848 2.134 -4.032 1.00 0.00 C ATOM 1345 C PHE A 89 -8.512 3.052 -3.004 1.00 0.00 C ATOM 1346 O PHE A 89 -9.400 3.833 -3.345 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.466 0.738 -3.925 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.520 0.441 -4.993 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.752 1.011 -4.909 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.226 -0.392 -6.026 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.731 0.736 -5.900 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.205 -0.668 -7.017 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.437 -0.098 -6.933 1.00 0.00 C ATOM 0 H PHE A 89 -6.074 1.038 -3.829 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.997 2.570 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.672 -0.006 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.920 0.627 -2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.986 1.673 -4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.248 -0.844 -6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.709 1.189 -5.833 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.971 -1.330 -7.837 1.00 0.00 H new ATOM 0 HZ PHE A 89 -12.182 -0.308 -7.687 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.057 2.929 -1.766 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.596 3.738 -0.686 1.00 0.00 C ATOM 1365 C LEU A 90 -8.007 5.148 -0.768 1.00 0.00 C ATOM 1366 O LEU A 90 -8.729 6.135 -0.632 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.367 3.054 0.663 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.443 2.059 1.102 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.706 1.019 0.010 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.076 1.408 2.437 1.00 0.00 C ATOM 0 H LEU A 90 -7.321 2.281 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.677 3.836 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.411 2.532 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.279 3.825 1.429 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.373 2.607 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.475 0.324 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.043 1.521 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.787 0.471 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.857 0.705 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.130 0.877 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.979 2.178 3.203 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.702 5.198 -0.991 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.008 6.470 -1.093 1.00 0.00 C ATOM 1384 C ASP A 91 -6.626 7.294 -2.225 1.00 0.00 C ATOM 1385 O ASP A 91 -6.882 8.486 -2.062 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.526 6.265 -1.411 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.594 7.355 -0.879 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.598 7.671 0.320 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.828 7.898 -1.765 1.00 0.00 O ATOM 0 H ASP A 91 -6.107 4.377 -1.104 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.103 6.984 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.211 5.306 -1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.407 6.202 -2.493 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.847 6.625 -3.347 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.429 7.280 -4.506 1.00 0.00 C ATOM 1397 C ALA A 92 -8.807 7.834 -4.135 1.00 0.00 C ATOM 1398 O ALA A 92 -9.198 8.902 -4.604 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.493 6.292 -5.673 1.00 0.00 C ATOM 0 H ALA A 92 -6.634 5.636 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.810 8.119 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.930 6.784 -6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.487 5.951 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.108 5.437 -5.393 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.504 7.083 -3.295 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.830 7.485 -2.856 1.00 0.00 C ATOM 1407 C GLU A 93 -10.728 8.617 -1.831 1.00 0.00 C ATOM 1408 O GLU A 93 -11.678 9.375 -1.642 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.602 6.295 -2.284 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.091 5.371 -3.401 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.612 5.210 -3.354 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.137 4.542 -2.450 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.253 5.809 -4.299 1.00 0.00 O ATOM 0 H GLU A 93 -9.176 6.199 -2.907 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.383 7.852 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.963 5.737 -1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.453 6.653 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.794 5.776 -4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.615 4.395 -3.305 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.568 8.695 -1.196 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.330 9.721 -0.195 1.00 0.00 C ATOM 1423 C LEU A 94 -8.772 10.972 -0.876 1.00 0.00 C ATOM 1424 O LEU A 94 -8.917 12.080 -0.362 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.438 9.180 0.925 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.117 8.252 1.934 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.173 7.129 2.368 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.655 9.042 3.130 1.00 0.00 C ATOM 0 H LEU A 94 -8.782 8.064 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.265 10.009 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.605 8.643 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.015 10.026 1.467 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.972 7.784 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.680 6.484 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.880 6.543 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.285 7.559 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.133 8.359 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.832 9.556 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.384 9.775 2.784 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.145 10.753 -2.023 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.564 11.849 -2.779 1.00 0.00 C ATOM 1442 C GLY A 95 -8.498 12.290 -3.908 1.00 0.00 C ATOM 1443 O GLY A 95 -9.144 13.332 -3.812 1.00 0.00 O ATOM 0 H GLY A 95 -8.027 9.833 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.368 12.690 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.605 11.541 -3.195 1.00 0.00 H new