USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 679 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 54 HIS : no HD1:sc= -3.03 X(o=-13,f=-13) USER MOD Set 1.2: A 80 HIS : no HE2:sc= -5.92 K(o=-13,f=-16!) USER MOD Set 1.3: A 81 ASN : amide:sc= -3.83 K(o=-13,f=-15!) USER MOD Set 2.1: A 77 THR OG1 : rot 29:sc= 1.12 USER MOD Set 2.2: A 79 TYR OH : rot -19:sc= 0.0103 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 25 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.6!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-3.6) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 170:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 61 SER OG : rot -9:sc= 1.08 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -60:sc= 0.48 USER MOD Single : A 65 THR OG1 : rot -75:sc= 0.368 USER MOD Single : A 69 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.0033) USER MOD Single : A 72 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.53) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 CYS SG : rot 180:sc=-0.00857 USER MOD Single : A 84 THR OG1 : rot -112:sc= 0.956 USER MOD Single : A 85 CYS SG : rot 110:sc= -0.145 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 170:sc= 0.873 USER MOD Single : A 93 CYS SG : rot 45:sc= 0.298 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.0764 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 223 N ARG A 15 -4.647 -1.289 -15.818 1.00 1.00 N ATOM 224 CA ARG A 15 -3.955 -2.159 -16.779 1.00 1.00 C ATOM 225 C ARG A 15 -2.996 -3.112 -16.041 1.00 1.00 C ATOM 226 O ARG A 15 -1.852 -3.298 -16.445 1.00 1.00 O ATOM 227 CB ARG A 15 -3.184 -1.296 -17.804 1.00 1.00 C ATOM 228 CG ARG A 15 -2.758 -2.144 -19.017 1.00 1.00 C ATOM 229 CD ARG A 15 -1.987 -1.283 -20.013 1.00 1.00 C ATOM 230 NE ARG A 15 -1.598 -2.114 -21.151 1.00 1.00 N ATOM 231 CZ ARG A 15 -2.484 -2.490 -22.076 1.00 1.00 C ATOM 232 NH1 ARG A 15 -3.732 -2.108 -21.985 1.00 1.00 N ATOM 233 NH2 ARG A 15 -2.108 -3.251 -23.064 1.00 1.00 N ATOM 0 HA ARG A 15 -4.691 -2.761 -17.311 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -3.811 -0.468 -18.135 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -2.304 -0.860 -17.331 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -2.137 -2.978 -18.688 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.637 -2.572 -19.498 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -2.604 -0.449 -20.348 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -1.104 -0.856 -19.538 1.00 1.00 H new ATOM 0 HE ARG A 15 -0.627 -2.413 -21.240 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -4.030 -1.521 -21.206 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -4.407 -2.397 -22.693 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -1.138 -3.559 -23.130 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -2.784 -3.539 -23.772 1.00 1.00 H new ATOM 247 N LEU A 16 -3.471 -3.701 -14.934 1.00 1.00 N ATOM 248 CA LEU A 16 -2.662 -4.640 -14.134 1.00 1.00 C ATOM 249 C LEU A 16 -1.870 -5.593 -15.042 1.00 1.00 C ATOM 250 O LEU A 16 -2.333 -5.914 -16.136 1.00 1.00 O ATOM 251 CB LEU A 16 -3.604 -5.465 -13.228 1.00 1.00 C ATOM 252 CG LEU A 16 -4.667 -6.262 -14.072 1.00 1.00 C ATOM 253 CD1 LEU A 16 -4.285 -7.751 -14.142 1.00 1.00 C ATOM 254 CD2 LEU A 16 -6.076 -6.128 -13.433 1.00 1.00 C ATOM 0 H LEU A 16 -4.411 -3.545 -14.570 1.00 1.00 H new ATOM 0 HA LEU A 16 -1.955 -4.070 -13.531 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -3.017 -6.162 -12.630 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -4.115 -4.800 -12.532 1.00 1.00 H new ATOM 0 HG LEU A 16 -4.685 -5.844 -15.078 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -5.029 -8.290 -14.729 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -3.307 -7.854 -14.613 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -4.248 -8.165 -13.134 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -6.800 -6.685 -14.028 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -6.055 -6.528 -12.419 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -6.363 -5.077 -13.402 1.00 1.00 H new ATOM 266 N GLY A 17 -0.688 -6.027 -14.601 1.00 1.00 N ATOM 267 CA GLY A 17 0.164 -6.934 -15.396 1.00 1.00 C ATOM 268 C GLY A 17 0.502 -8.189 -14.612 1.00 1.00 C ATOM 269 O GLY A 17 0.088 -8.346 -13.465 1.00 1.00 O ATOM 0 H GLY A 17 -0.292 -5.769 -13.697 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -0.349 -7.205 -16.319 1.00 1.00 H new ATOM 0 HA3 GLY A 17 1.082 -6.420 -15.680 1.00 1.00 H new ATOM 273 N ALA A 18 1.263 -9.076 -15.247 1.00 1.00 N ATOM 274 CA ALA A 18 1.675 -10.331 -14.617 1.00 1.00 C ATOM 275 C ALA A 18 2.922 -10.872 -15.317 1.00 1.00 C ATOM 276 O ALA A 18 3.107 -10.688 -16.521 1.00 1.00 O ATOM 277 CB ALA A 18 0.531 -11.357 -14.684 1.00 1.00 C ATOM 0 H ALA A 18 1.608 -8.951 -16.199 1.00 1.00 H new ATOM 0 HA ALA A 18 1.911 -10.147 -13.569 1.00 1.00 H new ATOM 0 HB1 ALA A 18 0.848 -12.287 -14.212 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -0.341 -10.964 -14.161 1.00 1.00 H new ATOM 0 HB3 ALA A 18 0.274 -11.548 -15.726 1.00 1.00 H new ATOM 283 N ARG A 19 3.786 -11.527 -14.536 1.00 1.00 N ATOM 284 CA ARG A 19 5.043 -12.099 -15.040 1.00 1.00 C ATOM 285 C ARG A 19 4.913 -13.599 -15.258 1.00 1.00 C ATOM 286 O ARG A 19 4.643 -14.344 -14.315 1.00 1.00 O ATOM 287 CB ARG A 19 6.161 -11.869 -13.996 1.00 1.00 C ATOM 288 CG ARG A 19 6.439 -10.362 -13.852 1.00 1.00 C ATOM 289 CD ARG A 19 7.571 -10.117 -12.851 1.00 1.00 C ATOM 290 NE ARG A 19 7.855 -8.684 -12.764 1.00 1.00 N ATOM 291 CZ ARG A 19 8.478 -8.020 -13.745 1.00 1.00 C ATOM 292 NH1 ARG A 19 8.873 -8.644 -14.823 1.00 1.00 N ATOM 293 NH2 ARG A 19 8.691 -6.738 -13.628 1.00 1.00 N ATOM 0 H ARG A 19 3.636 -11.677 -13.538 1.00 1.00 H new ATOM 0 HA ARG A 19 5.279 -11.614 -15.987 1.00 1.00 H new ATOM 0 HB2 ARG A 19 5.864 -12.287 -13.034 1.00 1.00 H new ATOM 0 HB3 ARG A 19 7.069 -12.388 -14.302 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.706 -9.942 -14.822 1.00 1.00 H new ATOM 0 HG3 ARG A 19 5.536 -9.850 -13.520 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.291 -10.502 -11.870 1.00 1.00 H new ATOM 0 HD3 ARG A 19 8.466 -10.656 -13.161 1.00 1.00 H new ATOM 0 HE ARG A 19 7.569 -8.174 -11.928 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.707 -9.646 -14.922 1.00 1.00 H new ATOM 0 HH12 ARG A 19 9.347 -8.130 -15.565 1.00 1.00 H new ATOM 0 HH21 ARG A 19 8.383 -6.244 -12.790 1.00 1.00 H new ATOM 0 HH22 ARG A 19 9.166 -6.230 -14.374 1.00 1.00 H new ATOM 307 N LEU A 20 5.129 -14.038 -16.496 1.00 1.00 N ATOM 308 CA LEU A 20 5.068 -15.459 -16.854 1.00 1.00 C ATOM 309 C LEU A 20 6.311 -15.822 -17.658 1.00 1.00 C ATOM 310 O LEU A 20 6.671 -15.124 -18.607 1.00 1.00 O ATOM 311 CB LEU A 20 3.801 -15.742 -17.684 1.00 1.00 C ATOM 312 CG LEU A 20 2.520 -15.547 -16.826 1.00 1.00 C ATOM 313 CD1 LEU A 20 1.286 -15.702 -17.734 1.00 1.00 C ATOM 314 CD2 LEU A 20 2.444 -16.590 -15.662 1.00 1.00 C ATOM 0 H LEU A 20 5.351 -13.423 -17.279 1.00 1.00 H new ATOM 0 HA LEU A 20 5.030 -16.062 -15.947 1.00 1.00 H new ATOM 0 HB2 LEU A 20 3.770 -15.076 -18.547 1.00 1.00 H new ATOM 0 HB3 LEU A 20 3.834 -16.761 -18.069 1.00 1.00 H new ATOM 0 HG LEU A 20 2.549 -14.552 -16.382 1.00 1.00 H new ATOM 0 HD11 LEU A 20 0.380 -15.567 -17.143 1.00 1.00 H new ATOM 0 HD12 LEU A 20 1.319 -14.952 -18.524 1.00 1.00 H new ATOM 0 HD13 LEU A 20 1.284 -16.697 -18.179 1.00 1.00 H new ATOM 0 HD21 LEU A 20 1.536 -16.424 -15.083 1.00 1.00 H new ATOM 0 HD22 LEU A 20 2.430 -17.598 -16.077 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.313 -16.476 -15.014 1.00 1.00 H new ATOM 326 N VAL A 21 6.956 -16.926 -17.269 1.00 1.00 N ATOM 327 CA VAL A 21 8.165 -17.430 -17.927 1.00 1.00 C ATOM 328 C VAL A 21 7.872 -18.832 -18.452 1.00 1.00 C ATOM 329 O VAL A 21 7.195 -19.619 -17.795 1.00 1.00 O ATOM 330 CB VAL A 21 9.333 -17.463 -16.919 1.00 1.00 C ATOM 331 CG1 VAL A 21 10.636 -17.918 -17.614 1.00 1.00 C ATOM 332 CG2 VAL A 21 9.525 -16.058 -16.320 1.00 1.00 C ATOM 0 H VAL A 21 6.651 -17.499 -16.482 1.00 1.00 H new ATOM 0 HA VAL A 21 8.449 -16.779 -18.754 1.00 1.00 H new ATOM 0 HB VAL A 21 9.099 -18.173 -16.126 1.00 1.00 H new ATOM 0 HG11 VAL A 21 11.449 -17.935 -16.888 1.00 1.00 H new ATOM 0 HG12 VAL A 21 10.498 -18.917 -18.028 1.00 1.00 H new ATOM 0 HG13 VAL A 21 10.882 -17.223 -18.417 1.00 1.00 H new ATOM 0 HG21 VAL A 21 10.349 -16.076 -15.607 1.00 1.00 H new ATOM 0 HG22 VAL A 21 9.751 -15.350 -17.118 1.00 1.00 H new ATOM 0 HG23 VAL A 21 8.611 -15.752 -15.811 1.00 1.00 H new ATOM 342 N GLN A 22 8.385 -19.138 -19.633 1.00 1.00 N ATOM 343 CA GLN A 22 8.180 -20.452 -20.239 1.00 1.00 C ATOM 344 C GLN A 22 8.991 -21.510 -19.483 1.00 1.00 C ATOM 345 O GLN A 22 10.180 -21.320 -19.233 1.00 1.00 O ATOM 346 CB GLN A 22 8.623 -20.399 -21.714 1.00 1.00 C ATOM 347 CG GLN A 22 8.286 -21.721 -22.429 1.00 1.00 C ATOM 348 CD GLN A 22 8.677 -21.644 -23.901 1.00 1.00 C ATOM 349 OE1 GLN A 22 9.773 -21.191 -24.231 1.00 1.00 O ATOM 350 NE2 GLN A 22 7.839 -22.065 -24.808 1.00 1.00 N ATOM 0 H GLN A 22 8.947 -18.497 -20.194 1.00 1.00 H new ATOM 0 HA GLN A 22 7.125 -20.720 -20.185 1.00 1.00 H new ATOM 0 HB2 GLN A 22 8.127 -19.570 -22.219 1.00 1.00 H new ATOM 0 HB3 GLN A 22 9.695 -20.212 -21.771 1.00 1.00 H new ATOM 0 HG2 GLN A 22 8.813 -22.546 -21.949 1.00 1.00 H new ATOM 0 HG3 GLN A 22 7.220 -21.929 -22.340 1.00 1.00 H new ATOM 0 HE21 GLN A 22 6.932 -22.440 -24.530 1.00 1.00 H new ATOM 0 HE22 GLN A 22 8.091 -22.020 -25.795 1.00 1.00 H new ATOM 359 N GLU A 23 8.353 -22.637 -19.142 1.00 1.00 N ATOM 360 CA GLU A 23 9.041 -23.730 -18.438 1.00 1.00 C ATOM 361 C GLU A 23 8.280 -25.040 -18.673 1.00 1.00 C ATOM 362 O GLU A 23 7.212 -25.258 -18.099 1.00 1.00 O ATOM 363 CB GLU A 23 9.138 -23.403 -16.917 1.00 1.00 C ATOM 364 CG GLU A 23 10.309 -24.162 -16.250 1.00 1.00 C ATOM 365 CD GLU A 23 10.148 -25.673 -16.424 1.00 1.00 C ATOM 366 OE1 GLU A 23 9.058 -26.166 -16.186 1.00 1.00 O ATOM 367 OE2 GLU A 23 11.120 -26.312 -16.795 1.00 1.00 O ATOM 0 H GLU A 23 7.369 -22.817 -19.340 1.00 1.00 H new ATOM 0 HA GLU A 23 10.054 -23.841 -18.824 1.00 1.00 H new ATOM 0 HB2 GLU A 23 9.274 -22.330 -16.782 1.00 1.00 H new ATOM 0 HB3 GLU A 23 8.202 -23.670 -16.426 1.00 1.00 H new ATOM 0 HG2 GLU A 23 11.253 -23.840 -16.688 1.00 1.00 H new ATOM 0 HG3 GLU A 23 10.350 -23.916 -15.189 1.00 1.00 H new ATOM 374 N GLY A 24 8.831 -25.902 -19.529 1.00 1.00 N ATOM 375 CA GLY A 24 8.197 -27.174 -19.843 1.00 1.00 C ATOM 376 C GLY A 24 6.945 -26.933 -20.662 1.00 1.00 C ATOM 377 O GLY A 24 6.738 -25.839 -21.187 1.00 1.00 O ATOM 0 H GLY A 24 9.713 -25.739 -20.014 1.00 1.00 H new ATOM 0 HA2 GLY A 24 8.889 -27.809 -20.397 1.00 1.00 H new ATOM 0 HA3 GLY A 24 7.945 -27.703 -18.924 1.00 1.00 H new ATOM 381 N ASN A 25 6.105 -27.959 -20.774 1.00 1.00 N ATOM 382 CA ASN A 25 4.862 -27.855 -21.541 1.00 1.00 C ATOM 383 C ASN A 25 3.764 -27.250 -20.670 1.00 1.00 C ATOM 384 O ASN A 25 2.580 -27.537 -20.851 1.00 1.00 O ATOM 385 CB ASN A 25 4.446 -29.254 -22.023 1.00 1.00 C ATOM 386 CG ASN A 25 4.319 -30.205 -20.833 1.00 1.00 C ATOM 387 OD1 ASN A 25 3.721 -29.853 -19.815 1.00 1.00 O ATOM 388 ND2 ASN A 25 4.853 -31.393 -20.899 1.00 1.00 N ATOM 0 H ASN A 25 6.260 -28.871 -20.345 1.00 1.00 H new ATOM 0 HA ASN A 25 5.018 -27.208 -22.404 1.00 1.00 H new ATOM 0 HB2 ASN A 25 3.496 -29.196 -22.555 1.00 1.00 H new ATOM 0 HB3 ASN A 25 5.183 -29.638 -22.728 1.00 1.00 H new ATOM 0 HD21 ASN A 25 4.776 -32.032 -20.107 1.00 1.00 H new ATOM 0 HD22 ASN A 25 5.348 -31.684 -21.742 1.00 1.00 H new ATOM 395 N GLN A 26 4.173 -26.414 -19.713 1.00 1.00 N ATOM 396 CA GLN A 26 3.238 -25.764 -18.789 1.00 1.00 C ATOM 397 C GLN A 26 3.763 -24.388 -18.383 1.00 1.00 C ATOM 398 O GLN A 26 4.967 -24.203 -18.202 1.00 1.00 O ATOM 399 CB GLN A 26 3.053 -26.647 -17.537 1.00 1.00 C ATOM 400 CG GLN A 26 4.417 -26.980 -16.903 1.00 1.00 C ATOM 401 CD GLN A 26 4.224 -27.881 -15.685 1.00 1.00 C ATOM 402 OE1 GLN A 26 3.706 -27.440 -14.660 1.00 1.00 O ATOM 403 NE2 GLN A 26 4.614 -29.126 -15.738 1.00 1.00 N ATOM 0 H GLN A 26 5.151 -26.170 -19.557 1.00 1.00 H new ATOM 0 HA GLN A 26 2.277 -25.636 -19.288 1.00 1.00 H new ATOM 0 HB2 GLN A 26 2.425 -26.131 -16.811 1.00 1.00 H new ATOM 0 HB3 GLN A 26 2.537 -27.568 -17.808 1.00 1.00 H new ATOM 0 HG2 GLN A 26 5.055 -27.476 -17.634 1.00 1.00 H new ATOM 0 HG3 GLN A 26 4.924 -26.061 -16.609 1.00 1.00 H new ATOM 0 HE21 GLN A 26 5.043 -29.490 -16.589 1.00 1.00 H new ATOM 0 HE22 GLN A 26 4.489 -29.734 -14.929 1.00 1.00 H new ATOM 412 N LEU A 27 2.845 -23.428 -18.218 1.00 1.00 N ATOM 413 CA LEU A 27 3.196 -22.060 -17.803 1.00 1.00 C ATOM 414 C LEU A 27 3.003 -21.954 -16.292 1.00 1.00 C ATOM 415 O LEU A 27 1.959 -22.332 -15.759 1.00 1.00 O ATOM 416 CB LEU A 27 2.288 -21.028 -18.537 1.00 1.00 C ATOM 417 CG LEU A 27 2.849 -20.693 -19.941 1.00 1.00 C ATOM 418 CD1 LEU A 27 2.981 -21.974 -20.790 1.00 1.00 C ATOM 419 CD2 LEU A 27 1.909 -19.693 -20.636 1.00 1.00 C ATOM 0 H LEU A 27 1.846 -23.573 -18.366 1.00 1.00 H new ATOM 0 HA LEU A 27 4.233 -21.844 -18.062 1.00 1.00 H new ATOM 0 HB2 LEU A 27 1.279 -21.429 -18.631 1.00 1.00 H new ATOM 0 HB3 LEU A 27 2.215 -20.116 -17.944 1.00 1.00 H new ATOM 0 HG LEU A 27 3.839 -20.250 -19.834 1.00 1.00 H new ATOM 0 HD11 LEU A 27 3.377 -21.720 -21.773 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.658 -22.670 -20.295 1.00 1.00 H new ATOM 0 HD13 LEU A 27 2.001 -22.439 -20.902 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.299 -19.454 -21.625 1.00 1.00 H new ATOM 0 HD22 LEU A 27 0.917 -20.134 -20.734 1.00 1.00 H new ATOM 0 HD23 LEU A 27 1.844 -18.782 -20.042 1.00 1.00 H new ATOM 431 N HIS A 28 4.021 -21.438 -15.608 1.00 1.00 N ATOM 432 CA HIS A 28 3.972 -21.281 -14.162 1.00 1.00 C ATOM 433 C HIS A 28 3.304 -19.954 -13.801 1.00 1.00 C ATOM 434 O HIS A 28 3.842 -18.887 -14.100 1.00 1.00 O ATOM 435 CB HIS A 28 5.424 -21.308 -13.602 1.00 1.00 C ATOM 436 CG HIS A 28 5.396 -21.546 -12.104 1.00 1.00 C ATOM 437 ND1 HIS A 28 4.210 -21.542 -11.387 1.00 1.00 N ATOM 438 CD2 HIS A 28 6.384 -21.826 -11.189 1.00 1.00 C ATOM 439 CE1 HIS A 28 4.504 -21.815 -10.105 1.00 1.00 C ATOM 440 NE2 HIS A 28 5.814 -21.998 -9.927 1.00 1.00 N ATOM 0 H HIS A 28 4.891 -21.121 -16.036 1.00 1.00 H new ATOM 0 HA HIS A 28 3.392 -22.095 -13.726 1.00 1.00 H new ATOM 0 HB2 HIS A 28 5.998 -22.094 -14.093 1.00 1.00 H new ATOM 0 HB3 HIS A 28 5.925 -20.365 -13.820 1.00 1.00 H new ATOM 0 HD2 HIS A 28 7.438 -21.901 -11.413 1.00 1.00 H new ATOM 0 HE1 HIS A 28 3.770 -21.879 -9.315 1.00 1.00 H new ATOM 0 HE2 HIS A 28 6.296 -22.217 -9.055 1.00 1.00 H new ATOM 449 N TYR A 29 2.148 -20.022 -13.134 1.00 1.00 N ATOM 450 CA TYR A 29 1.426 -18.816 -12.702 1.00 1.00 C ATOM 451 C TYR A 29 1.794 -18.526 -11.244 1.00 1.00 C ATOM 452 O TYR A 29 1.389 -19.249 -10.334 1.00 1.00 O ATOM 453 CB TYR A 29 -0.096 -19.020 -12.853 1.00 1.00 C ATOM 454 CG TYR A 29 -0.839 -17.801 -12.300 1.00 1.00 C ATOM 455 CD1 TYR A 29 -0.994 -16.649 -13.090 1.00 1.00 C ATOM 456 CD2 TYR A 29 -1.344 -17.809 -10.987 1.00 1.00 C ATOM 457 CE1 TYR A 29 -1.648 -15.523 -12.575 1.00 1.00 C ATOM 458 CE2 TYR A 29 -1.994 -16.679 -10.475 1.00 1.00 C ATOM 459 CZ TYR A 29 -2.146 -15.539 -11.269 1.00 1.00 C ATOM 460 OH TYR A 29 -2.782 -14.425 -10.765 1.00 1.00 O ATOM 0 H TYR A 29 1.690 -20.898 -12.880 1.00 1.00 H new ATOM 0 HA TYR A 29 1.710 -17.968 -13.325 1.00 1.00 H new ATOM 0 HB2 TYR A 29 -0.350 -19.167 -13.903 1.00 1.00 H new ATOM 0 HB3 TYR A 29 -0.406 -19.919 -12.321 1.00 1.00 H new ATOM 0 HD1 TYR A 29 -0.607 -16.632 -14.098 1.00 1.00 H new ATOM 0 HD2 TYR A 29 -1.230 -18.689 -10.372 1.00 1.00 H new ATOM 0 HE1 TYR A 29 -1.768 -14.641 -13.187 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -2.378 -16.689 -9.466 1.00 1.00 H new ATOM 0 HH TYR A 29 -3.069 -14.601 -9.845 1.00 1.00 H new ATOM 470 N LEU A 30 2.568 -17.455 -11.038 1.00 1.00 N ATOM 471 CA LEU A 30 3.007 -17.044 -9.699 1.00 1.00 C ATOM 472 C LEU A 30 2.035 -15.996 -9.135 1.00 1.00 C ATOM 473 O LEU A 30 1.906 -14.896 -9.676 1.00 1.00 O ATOM 474 CB LEU A 30 4.440 -16.438 -9.801 1.00 1.00 C ATOM 475 CG LEU A 30 5.549 -17.532 -9.809 1.00 1.00 C ATOM 476 CD1 LEU A 30 5.614 -18.320 -8.457 1.00 1.00 C ATOM 477 CD2 LEU A 30 5.322 -18.502 -10.989 1.00 1.00 C ATOM 0 H LEU A 30 2.906 -16.852 -11.788 1.00 1.00 H new ATOM 0 HA LEU A 30 3.021 -17.907 -9.033 1.00 1.00 H new ATOM 0 HB2 LEU A 30 4.515 -15.842 -10.710 1.00 1.00 H new ATOM 0 HB3 LEU A 30 4.606 -15.762 -8.962 1.00 1.00 H new ATOM 0 HG LEU A 30 6.508 -17.029 -9.931 1.00 1.00 H new ATOM 0 HD11 LEU A 30 6.402 -19.071 -8.511 1.00 1.00 H new ATOM 0 HD12 LEU A 30 5.828 -17.628 -7.642 1.00 1.00 H new ATOM 0 HD13 LEU A 30 4.657 -18.810 -8.275 1.00 1.00 H new ATOM 0 HD21 LEU A 30 6.101 -19.264 -10.988 1.00 1.00 H new ATOM 0 HD22 LEU A 30 4.347 -18.979 -10.885 1.00 1.00 H new ATOM 0 HD23 LEU A 30 5.357 -17.948 -11.927 1.00 1.00 H new ATOM 489 N ALA A 31 1.358 -16.358 -8.049 1.00 1.00 N ATOM 490 CA ALA A 31 0.397 -15.477 -7.395 1.00 1.00 C ATOM 491 C ALA A 31 1.088 -14.242 -6.812 1.00 1.00 C ATOM 492 O ALA A 31 0.543 -13.137 -6.839 1.00 1.00 O ATOM 493 CB ALA A 31 -0.279 -16.264 -6.267 1.00 1.00 C ATOM 0 H ALA A 31 1.460 -17.268 -7.599 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.336 -15.137 -8.127 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.004 -15.626 -5.762 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.789 -17.132 -6.684 1.00 1.00 H new ATOM 0 HB3 ALA A 31 0.474 -16.595 -5.552 1.00 1.00 H new ATOM 499 N ASP A 32 2.288 -14.453 -6.273 1.00 1.00 N ATOM 500 CA ASP A 32 3.063 -13.374 -5.660 1.00 1.00 C ATOM 501 C ASP A 32 3.491 -12.352 -6.710 1.00 1.00 C ATOM 502 O ASP A 32 4.010 -11.287 -6.366 1.00 1.00 O ATOM 503 CB ASP A 32 4.319 -13.960 -4.988 1.00 1.00 C ATOM 504 CG ASP A 32 3.933 -14.921 -3.866 1.00 1.00 C ATOM 505 OD1 ASP A 32 2.889 -14.717 -3.267 1.00 1.00 O ATOM 506 OD2 ASP A 32 4.694 -15.841 -3.617 1.00 1.00 O ATOM 0 H ASP A 32 2.746 -15.364 -6.248 1.00 1.00 H new ATOM 0 HA ASP A 32 2.437 -12.878 -4.918 1.00 1.00 H new ATOM 0 HB2 ASP A 32 4.924 -14.483 -5.729 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.933 -13.153 -4.587 1.00 1.00 H new ATOM 511 N ARG A 33 3.281 -12.683 -7.996 1.00 1.00 N ATOM 512 CA ARG A 33 3.654 -11.797 -9.122 1.00 1.00 C ATOM 513 C ARG A 33 2.395 -11.304 -9.847 1.00 1.00 C ATOM 514 O ARG A 33 2.145 -11.649 -11.005 1.00 1.00 O ATOM 515 CB ARG A 33 4.575 -12.577 -10.110 1.00 1.00 C ATOM 516 CG ARG A 33 6.075 -12.473 -9.703 1.00 1.00 C ATOM 517 CD ARG A 33 6.303 -12.932 -8.245 1.00 1.00 C ATOM 518 NE ARG A 33 7.711 -13.293 -8.058 1.00 1.00 N ATOM 519 CZ ARG A 33 8.683 -12.374 -8.039 1.00 1.00 C ATOM 520 NH1 ARG A 33 8.401 -11.104 -8.177 1.00 1.00 N ATOM 521 NH2 ARG A 33 9.922 -12.747 -7.881 1.00 1.00 N ATOM 0 H ARG A 33 2.853 -13.562 -8.286 1.00 1.00 H new ATOM 0 HA ARG A 33 4.191 -10.930 -8.737 1.00 1.00 H new ATOM 0 HB2 ARG A 33 4.277 -13.625 -10.135 1.00 1.00 H new ATOM 0 HB3 ARG A 33 4.443 -12.184 -11.118 1.00 1.00 H new ATOM 0 HG2 ARG A 33 6.678 -13.083 -10.375 1.00 1.00 H new ATOM 0 HG3 ARG A 33 6.413 -11.443 -9.818 1.00 1.00 H new ATOM 0 HD2 ARG A 33 6.027 -12.135 -7.555 1.00 1.00 H new ATOM 0 HD3 ARG A 33 5.665 -13.786 -8.018 1.00 1.00 H new ATOM 0 HE ARG A 33 7.958 -14.276 -7.939 1.00 1.00 H new ATOM 0 HH11 ARG A 33 7.433 -10.807 -8.300 1.00 1.00 H new ATOM 0 HH12 ARG A 33 9.149 -10.411 -8.161 1.00 1.00 H new ATOM 0 HH21 ARG A 33 10.147 -13.736 -7.773 1.00 1.00 H new ATOM 0 HH22 ARG A 33 10.666 -12.050 -7.866 1.00 1.00 H new ATOM 535 N ALA A 34 1.613 -10.483 -9.167 1.00 1.00 N ATOM 536 CA ALA A 34 0.398 -9.930 -9.756 1.00 1.00 C ATOM 537 C ALA A 34 -0.134 -8.845 -8.843 1.00 1.00 C ATOM 538 O ALA A 34 0.374 -8.652 -7.738 1.00 1.00 O ATOM 539 CB ALA A 34 -0.665 -11.020 -9.970 1.00 1.00 C ATOM 0 H ALA A 34 1.794 -10.183 -8.209 1.00 1.00 H new ATOM 0 HA ALA A 34 0.635 -9.511 -10.734 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -1.558 -10.576 -10.410 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.272 -11.785 -10.640 1.00 1.00 H new ATOM 0 HB3 ALA A 34 -0.920 -11.473 -9.012 1.00 1.00 H new ATOM 545 N SER A 35 -1.152 -8.131 -9.313 1.00 1.00 N ATOM 546 CA SER A 35 -1.768 -7.041 -8.551 1.00 1.00 C ATOM 547 C SER A 35 -3.277 -7.089 -8.736 1.00 1.00 C ATOM 548 O SER A 35 -3.757 -7.306 -9.848 1.00 1.00 O ATOM 549 CB SER A 35 -1.227 -5.706 -9.075 1.00 1.00 C ATOM 550 OG SER A 35 0.189 -5.680 -8.918 1.00 1.00 O ATOM 0 H SER A 35 -1.574 -8.288 -10.228 1.00 1.00 H new ATOM 0 HA SER A 35 -1.532 -7.144 -7.492 1.00 1.00 H new ATOM 0 HB2 SER A 35 -1.491 -5.580 -10.125 1.00 1.00 H new ATOM 0 HB3 SER A 35 -1.680 -4.877 -8.531 1.00 1.00 H new ATOM 0 HG SER A 35 0.540 -4.829 -9.253 1.00 1.00 H new ATOM 556 N ILE A 36 -4.029 -6.874 -7.657 1.00 1.00 N ATOM 557 CA ILE A 36 -5.496 -6.882 -7.722 1.00 1.00 C ATOM 558 C ILE A 36 -6.001 -5.455 -7.928 1.00 1.00 C ATOM 559 O ILE A 36 -5.408 -4.506 -7.414 1.00 1.00 O ATOM 560 CB ILE A 36 -6.071 -7.497 -6.413 1.00 1.00 C ATOM 561 CG1 ILE A 36 -7.607 -7.735 -6.521 1.00 1.00 C ATOM 562 CG2 ILE A 36 -5.790 -6.568 -5.206 1.00 1.00 C ATOM 563 CD1 ILE A 36 -7.969 -8.790 -7.588 1.00 1.00 C ATOM 0 H ILE A 36 -3.650 -6.692 -6.727 1.00 1.00 H new ATOM 0 HA ILE A 36 -5.831 -7.491 -8.562 1.00 1.00 H new ATOM 0 HB ILE A 36 -5.576 -8.456 -6.264 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -7.990 -8.056 -5.553 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -8.101 -6.794 -6.763 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -6.199 -7.015 -4.300 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -4.714 -6.436 -5.091 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -6.258 -5.599 -5.376 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -9.051 -8.917 -7.622 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -7.612 -8.459 -8.563 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -7.500 -9.740 -7.334 1.00 1.00 H new ATOM 575 N THR A 37 -7.089 -5.312 -8.686 1.00 1.00 N ATOM 576 CA THR A 37 -7.695 -4.001 -8.976 1.00 1.00 C ATOM 577 C THR A 37 -9.182 -4.068 -8.681 1.00 1.00 C ATOM 578 O THR A 37 -9.802 -5.120 -8.832 1.00 1.00 O ATOM 579 CB THR A 37 -7.475 -3.636 -10.452 1.00 1.00 C ATOM 580 OG1 THR A 37 -8.106 -4.605 -11.275 1.00 1.00 O ATOM 581 CG2 THR A 37 -5.976 -3.604 -10.758 1.00 1.00 C ATOM 0 H THR A 37 -7.578 -6.096 -9.118 1.00 1.00 H new ATOM 0 HA THR A 37 -7.229 -3.238 -8.352 1.00 1.00 H new ATOM 0 HB THR A 37 -7.903 -2.653 -10.650 1.00 1.00 H new ATOM 0 HG1 THR A 37 -8.108 -4.294 -12.204 1.00 1.00 H new ATOM 0 HG21 THR A 37 -5.824 -3.345 -11.806 1.00 1.00 H new ATOM 0 HG22 THR A 37 -5.491 -2.860 -10.126 1.00 1.00 H new ATOM 0 HG23 THR A 37 -5.543 -4.585 -10.560 1.00 1.00 H new ATOM 589 N GLY A 38 -9.762 -2.948 -8.250 1.00 1.00 N ATOM 590 CA GLY A 38 -11.190 -2.905 -7.930 1.00 1.00 C ATOM 591 C GLY A 38 -11.455 -3.452 -6.534 1.00 1.00 C ATOM 592 O GLY A 38 -10.647 -3.277 -5.620 1.00 1.00 O ATOM 0 H GLY A 38 -9.270 -2.065 -8.115 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -11.550 -1.878 -7.996 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.748 -3.486 -8.664 1.00 1.00 H new ATOM 596 N LYS A 39 -12.607 -4.097 -6.367 1.00 1.00 N ATOM 597 CA LYS A 39 -12.996 -4.647 -5.069 1.00 1.00 C ATOM 598 C LYS A 39 -14.177 -5.604 -5.225 1.00 1.00 C ATOM 599 O LYS A 39 -15.313 -5.282 -4.873 1.00 1.00 O ATOM 600 CB LYS A 39 -13.356 -3.489 -4.097 1.00 1.00 C ATOM 601 CG LYS A 39 -14.234 -2.442 -4.819 1.00 1.00 C ATOM 602 CD LYS A 39 -14.678 -1.353 -3.831 1.00 1.00 C ATOM 603 CE LYS A 39 -15.549 -0.317 -4.559 1.00 1.00 C ATOM 604 NZ LYS A 39 -15.987 0.736 -3.599 1.00 1.00 N ATOM 0 H LYS A 39 -13.287 -4.252 -7.112 1.00 1.00 H new ATOM 0 HA LYS A 39 -12.158 -5.208 -4.656 1.00 1.00 H new ATOM 0 HB2 LYS A 39 -13.886 -3.883 -3.230 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -12.445 -3.018 -3.727 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -13.676 -1.993 -5.641 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -15.108 -2.927 -5.254 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -15.238 -1.800 -3.010 1.00 1.00 H new ATOM 0 HD3 LYS A 39 -13.806 -0.867 -3.395 1.00 1.00 H new ATOM 0 HE2 LYS A 39 -14.987 0.134 -5.377 1.00 1.00 H new ATOM 0 HE3 LYS A 39 -16.418 -0.804 -5.000 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 -16.576 1.435 -4.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 -16.539 0.300 -2.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 -15.152 1.209 -3.198 1.00 1.00 H new ATOM 618 N PHE A 40 -13.902 -6.805 -5.729 1.00 1.00 N ATOM 619 CA PHE A 40 -14.936 -7.813 -5.907 1.00 1.00 C ATOM 620 C PHE A 40 -15.554 -8.182 -4.552 1.00 1.00 C ATOM 621 O PHE A 40 -14.854 -8.336 -3.552 1.00 1.00 O ATOM 622 CB PHE A 40 -14.299 -9.076 -6.535 1.00 1.00 C ATOM 623 CG PHE A 40 -13.482 -8.673 -7.759 1.00 1.00 C ATOM 624 CD1 PHE A 40 -12.143 -8.271 -7.599 1.00 1.00 C ATOM 625 CD2 PHE A 40 -14.053 -8.685 -9.044 1.00 1.00 C ATOM 626 CE1 PHE A 40 -11.384 -7.888 -8.708 1.00 1.00 C ATOM 627 CE2 PHE A 40 -13.288 -8.300 -10.154 1.00 1.00 C ATOM 628 CZ PHE A 40 -11.956 -7.901 -9.986 1.00 1.00 C ATOM 0 H PHE A 40 -12.970 -7.101 -6.020 1.00 1.00 H new ATOM 0 HA PHE A 40 -15.716 -7.418 -6.558 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -13.661 -9.576 -5.806 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -15.076 -9.786 -6.819 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -11.700 -8.258 -6.614 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -15.080 -8.991 -9.176 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -10.356 -7.582 -8.579 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -13.727 -8.311 -11.141 1.00 1.00 H new ATOM 0 HZ PHE A 40 -11.370 -7.603 -10.843 1.00 1.00 H new ATOM 638 N SER A 41 -16.877 -8.324 -4.545 1.00 1.00 N ATOM 639 CA SER A 41 -17.615 -8.679 -3.339 1.00 1.00 C ATOM 640 C SER A 41 -17.361 -10.135 -2.969 1.00 1.00 C ATOM 641 O SER A 41 -16.814 -10.906 -3.759 1.00 1.00 O ATOM 642 CB SER A 41 -19.113 -8.481 -3.588 1.00 1.00 C ATOM 643 OG SER A 41 -19.555 -9.440 -4.541 1.00 1.00 O ATOM 0 H SER A 41 -17.463 -8.197 -5.370 1.00 1.00 H new ATOM 0 HA SER A 41 -17.281 -8.041 -2.521 1.00 1.00 H new ATOM 0 HB2 SER A 41 -19.667 -8.593 -2.656 1.00 1.00 H new ATOM 0 HB3 SER A 41 -19.304 -7.472 -3.953 1.00 1.00 H new ATOM 0 HG SER A 41 -20.514 -9.321 -4.705 1.00 1.00 H new ATOM 649 N ASP A 42 -17.772 -10.506 -1.762 1.00 1.00 N ATOM 650 CA ASP A 42 -17.604 -11.870 -1.276 1.00 1.00 C ATOM 651 C ASP A 42 -18.448 -12.839 -2.106 1.00 1.00 C ATOM 652 O ASP A 42 -18.176 -14.038 -2.120 1.00 1.00 O ATOM 653 CB ASP A 42 -18.019 -11.947 0.200 1.00 1.00 C ATOM 654 CG ASP A 42 -17.114 -11.060 1.053 1.00 1.00 C ATOM 655 OD1 ASP A 42 -15.965 -10.879 0.683 1.00 1.00 O ATOM 656 OD2 ASP A 42 -17.586 -10.574 2.068 1.00 1.00 O ATOM 0 H ASP A 42 -18.226 -9.878 -1.099 1.00 1.00 H new ATOM 0 HA ASP A 42 -16.555 -12.152 -1.372 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -19.057 -11.632 0.310 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -17.961 -12.978 0.548 1.00 1.00 H new ATOM 661 N ALA A 43 -19.480 -12.329 -2.795 1.00 1.00 N ATOM 662 CA ALA A 43 -20.349 -13.177 -3.638 1.00 1.00 C ATOM 663 C ALA A 43 -19.822 -13.223 -5.081 1.00 1.00 C ATOM 664 O ALA A 43 -20.305 -14.002 -5.907 1.00 1.00 O ATOM 665 CB ALA A 43 -21.778 -12.626 -3.619 1.00 1.00 C ATOM 0 H ALA A 43 -19.735 -11.341 -2.788 1.00 1.00 H new ATOM 0 HA ALA A 43 -20.347 -14.191 -3.238 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -22.418 -13.252 -4.241 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -22.154 -12.626 -2.596 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -21.780 -11.607 -4.006 1.00 1.00 H new ATOM 671 N GLU A 44 -18.830 -12.371 -5.375 1.00 1.00 N ATOM 672 CA GLU A 44 -18.215 -12.275 -6.718 1.00 1.00 C ATOM 673 C GLU A 44 -16.783 -12.837 -6.718 1.00 1.00 C ATOM 674 O GLU A 44 -16.333 -13.374 -7.731 1.00 1.00 O ATOM 675 CB GLU A 44 -18.211 -10.787 -7.162 1.00 1.00 C ATOM 676 CG GLU A 44 -17.806 -10.627 -8.651 1.00 1.00 C ATOM 677 CD GLU A 44 -18.864 -11.226 -9.581 1.00 1.00 C ATOM 678 OE1 GLU A 44 -20.013 -11.307 -9.173 1.00 1.00 O ATOM 679 OE2 GLU A 44 -18.512 -11.590 -10.691 1.00 1.00 O ATOM 0 H GLU A 44 -18.428 -11.727 -4.694 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.799 -12.871 -7.419 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -19.202 -10.360 -7.008 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -17.520 -10.223 -6.535 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -17.671 -9.570 -8.882 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.847 -11.116 -8.824 1.00 1.00 H new ATOM 686 N CYS A 45 -16.074 -12.737 -5.593 1.00 1.00 N ATOM 687 CA CYS A 45 -14.700 -13.271 -5.516 1.00 1.00 C ATOM 688 C CYS A 45 -14.707 -14.808 -5.757 1.00 1.00 C ATOM 689 O CYS A 45 -13.875 -15.313 -6.513 1.00 1.00 O ATOM 690 CB CYS A 45 -14.047 -12.907 -4.132 1.00 1.00 C ATOM 691 SG CYS A 45 -12.470 -12.025 -4.352 1.00 1.00 S ATOM 0 H CYS A 45 -16.413 -12.302 -4.735 1.00 1.00 H new ATOM 0 HA CYS A 45 -14.095 -12.812 -6.298 1.00 1.00 H new ATOM 0 HB2 CYS A 45 -14.734 -12.288 -3.555 1.00 1.00 H new ATOM 0 HB3 CYS A 45 -13.879 -13.817 -3.557 1.00 1.00 H new ATOM 0 HG CYS A 45 -11.965 -11.741 -3.188 1.00 1.00 H new ATOM 697 N PRO A 46 -15.617 -15.552 -5.137 1.00 1.00 N ATOM 698 CA PRO A 46 -15.694 -17.043 -5.313 1.00 1.00 C ATOM 699 C PRO A 46 -15.919 -17.454 -6.770 1.00 1.00 C ATOM 700 O PRO A 46 -15.222 -18.322 -7.296 1.00 1.00 O ATOM 701 CB PRO A 46 -16.898 -17.460 -4.417 1.00 1.00 C ATOM 702 CG PRO A 46 -17.021 -16.343 -3.421 1.00 1.00 C ATOM 703 CD PRO A 46 -16.667 -15.074 -4.216 1.00 1.00 C ATOM 0 HA PRO A 46 -14.761 -17.532 -5.034 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -17.810 -17.573 -5.003 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -16.715 -18.415 -3.924 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -18.030 -16.286 -3.012 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -16.343 -16.486 -2.579 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -17.529 -14.679 -4.754 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -16.304 -14.277 -3.567 1.00 1.00 H new ATOM 711 N LYS A 47 -16.918 -16.844 -7.404 1.00 1.00 N ATOM 712 CA LYS A 47 -17.255 -17.178 -8.785 1.00 1.00 C ATOM 713 C LYS A 47 -16.072 -16.935 -9.720 1.00 1.00 C ATOM 714 O LYS A 47 -15.767 -17.772 -10.560 1.00 1.00 O ATOM 715 CB LYS A 47 -18.464 -16.329 -9.247 1.00 1.00 C ATOM 716 CG LYS A 47 -18.936 -16.782 -10.646 1.00 1.00 C ATOM 717 CD LYS A 47 -20.170 -15.974 -11.075 1.00 1.00 C ATOM 718 CE LYS A 47 -20.639 -16.446 -12.459 1.00 1.00 C ATOM 719 NZ LYS A 47 -21.840 -15.668 -12.874 1.00 1.00 N ATOM 0 H LYS A 47 -17.504 -16.121 -6.987 1.00 1.00 H new ATOM 0 HA LYS A 47 -17.509 -18.237 -8.825 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -19.280 -16.427 -8.531 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -18.188 -15.275 -9.273 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -18.133 -16.646 -11.371 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -19.175 -17.845 -10.631 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -20.971 -16.099 -10.346 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -19.929 -14.911 -11.104 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -19.840 -16.316 -13.188 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -20.875 -17.510 -12.431 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -22.155 -15.990 -13.811 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -22.604 -15.813 -12.183 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -21.601 -14.657 -12.918 1.00 1.00 H new ATOM 733 N LEU A 48 -15.425 -15.778 -9.580 1.00 1.00 N ATOM 734 CA LEU A 48 -14.296 -15.423 -10.452 1.00 1.00 C ATOM 735 C LEU A 48 -13.166 -16.456 -10.296 1.00 1.00 C ATOM 736 O LEU A 48 -12.520 -16.844 -11.270 1.00 1.00 O ATOM 737 CB LEU A 48 -13.811 -13.978 -10.102 1.00 1.00 C ATOM 738 CG LEU A 48 -13.241 -13.236 -11.346 1.00 1.00 C ATOM 739 CD1 LEU A 48 -12.717 -11.854 -10.915 1.00 1.00 C ATOM 740 CD2 LEU A 48 -12.103 -14.053 -12.009 1.00 1.00 C ATOM 0 H LEU A 48 -15.657 -15.074 -8.879 1.00 1.00 H new ATOM 0 HA LEU A 48 -14.610 -15.436 -11.496 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -14.642 -13.407 -9.689 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -13.045 -14.030 -9.329 1.00 1.00 H new ATOM 0 HG LEU A 48 -14.039 -13.116 -12.079 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -12.316 -11.330 -11.783 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -13.533 -11.273 -10.485 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -11.930 -11.979 -10.171 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -11.723 -13.511 -12.875 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -11.296 -14.201 -11.291 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -12.488 -15.022 -12.327 1.00 1.00 H new ATOM 752 N ASP A 49 -12.942 -16.908 -9.064 1.00 1.00 N ATOM 753 CA ASP A 49 -11.895 -17.891 -8.798 1.00 1.00 C ATOM 754 C ASP A 49 -12.168 -19.185 -9.578 1.00 1.00 C ATOM 755 O ASP A 49 -11.283 -20.038 -9.682 1.00 1.00 O ATOM 756 CB ASP A 49 -11.826 -18.190 -7.291 1.00 1.00 C ATOM 757 CG ASP A 49 -11.482 -16.923 -6.510 1.00 1.00 C ATOM 758 OD1 ASP A 49 -10.770 -16.089 -7.046 1.00 1.00 O ATOM 759 OD2 ASP A 49 -11.937 -16.805 -5.384 1.00 1.00 O ATOM 0 H ASP A 49 -13.467 -16.612 -8.241 1.00 1.00 H new ATOM 0 HA ASP A 49 -10.939 -17.481 -9.124 1.00 1.00 H new ATOM 0 HB2 ASP A 49 -12.782 -18.587 -6.949 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -11.075 -18.957 -7.100 1.00 1.00 H new ATOM 764 N VAL A 50 -13.395 -19.321 -10.142 1.00 1.00 N ATOM 765 CA VAL A 50 -13.777 -20.521 -10.938 1.00 1.00 C ATOM 766 C VAL A 50 -13.768 -20.182 -12.436 1.00 1.00 C ATOM 767 O VAL A 50 -13.695 -21.078 -13.280 1.00 1.00 O ATOM 768 CB VAL A 50 -15.163 -21.038 -10.494 1.00 1.00 C ATOM 769 CG1 VAL A 50 -15.549 -22.315 -11.273 1.00 1.00 C ATOM 770 CG2 VAL A 50 -15.130 -21.345 -8.987 1.00 1.00 C ATOM 0 H VAL A 50 -14.133 -18.622 -10.063 1.00 1.00 H new ATOM 0 HA VAL A 50 -13.049 -21.313 -10.762 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.907 -20.269 -10.703 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -16.529 -22.660 -10.943 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.582 -22.094 -12.340 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -14.808 -23.093 -11.086 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -16.106 -21.710 -8.669 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -14.375 -22.105 -8.787 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.885 -20.437 -8.436 1.00 1.00 H new ATOM 780 N VAL A 51 -13.817 -18.883 -12.767 1.00 1.00 N ATOM 781 CA VAL A 51 -13.783 -18.433 -14.173 1.00 1.00 C ATOM 782 C VAL A 51 -12.328 -18.202 -14.599 1.00 1.00 C ATOM 783 O VAL A 51 -11.964 -18.431 -15.746 1.00 1.00 O ATOM 784 CB VAL A 51 -14.620 -17.143 -14.329 1.00 1.00 C ATOM 785 CG1 VAL A 51 -14.586 -16.644 -15.793 1.00 1.00 C ATOM 786 CG2 VAL A 51 -16.083 -17.439 -13.936 1.00 1.00 C ATOM 0 H VAL A 51 -13.880 -18.126 -12.086 1.00 1.00 H new ATOM 0 HA VAL A 51 -14.215 -19.198 -14.818 1.00 1.00 H new ATOM 0 HB VAL A 51 -14.199 -16.373 -13.683 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -15.181 -15.735 -15.882 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -13.556 -16.433 -16.082 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -14.997 -17.412 -16.449 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -16.679 -16.533 -14.044 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -16.484 -18.217 -14.586 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -16.120 -17.777 -12.900 1.00 1.00 H new ATOM 796 N PHE A 52 -11.492 -17.756 -13.655 1.00 1.00 N ATOM 797 CA PHE A 52 -10.074 -17.523 -13.942 1.00 1.00 C ATOM 798 C PHE A 52 -9.359 -18.837 -14.341 1.00 1.00 C ATOM 799 O PHE A 52 -8.696 -18.854 -15.377 1.00 1.00 O ATOM 800 CB PHE A 52 -9.377 -16.845 -12.745 1.00 1.00 C ATOM 801 CG PHE A 52 -7.954 -16.430 -13.134 1.00 1.00 C ATOM 802 CD1 PHE A 52 -7.750 -15.275 -13.912 1.00 1.00 C ATOM 803 CD2 PHE A 52 -6.844 -17.195 -12.733 1.00 1.00 C ATOM 804 CE1 PHE A 52 -6.451 -14.896 -14.283 1.00 1.00 C ATOM 805 CE2 PHE A 52 -5.549 -16.808 -13.106 1.00 1.00 C ATOM 806 CZ PHE A 52 -5.354 -15.662 -13.878 1.00 1.00 C ATOM 0 H PHE A 52 -11.770 -17.551 -12.695 1.00 1.00 H new ATOM 0 HA PHE A 52 -10.010 -16.846 -14.794 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -9.946 -15.971 -12.430 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -9.346 -17.529 -11.896 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.595 -14.679 -14.224 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -6.990 -18.083 -12.136 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -6.298 -14.011 -14.883 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.700 -17.399 -12.795 1.00 1.00 H new ATOM 0 HZ PHE A 52 -4.355 -15.367 -14.163 1.00 1.00 H new ATOM 816 N PRO A 53 -9.479 -19.944 -13.604 1.00 1.00 N ATOM 817 CA PRO A 53 -8.816 -21.237 -14.017 1.00 1.00 C ATOM 818 C PRO A 53 -9.286 -21.713 -15.407 1.00 1.00 C ATOM 819 O PRO A 53 -8.555 -22.427 -16.097 1.00 1.00 O ATOM 820 CB PRO A 53 -9.238 -22.231 -12.893 1.00 1.00 C ATOM 821 CG PRO A 53 -10.505 -21.637 -12.362 1.00 1.00 C ATOM 822 CD PRO A 53 -10.210 -20.135 -12.321 1.00 1.00 C ATOM 0 HA PRO A 53 -7.735 -21.141 -14.117 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -9.398 -23.236 -13.284 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -8.475 -22.309 -12.118 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -11.354 -21.861 -13.008 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -10.746 -22.025 -11.372 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -11.121 -19.539 -12.275 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -9.604 -19.859 -11.458 1.00 1.00 H new ATOM 830 N HIS A 54 -10.499 -21.325 -15.814 1.00 1.00 N ATOM 831 CA HIS A 54 -11.028 -21.742 -17.124 1.00 1.00 C ATOM 832 C HIS A 54 -10.117 -21.233 -18.249 1.00 1.00 C ATOM 833 O HIS A 54 -9.792 -21.971 -19.182 1.00 1.00 O ATOM 834 CB HIS A 54 -12.458 -21.204 -17.307 1.00 1.00 C ATOM 835 CG HIS A 54 -13.056 -21.753 -18.573 1.00 1.00 C ATOM 836 ND1 HIS A 54 -13.986 -22.778 -18.565 1.00 1.00 N ATOM 837 CD2 HIS A 54 -12.850 -21.440 -19.891 1.00 1.00 C ATOM 838 CE1 HIS A 54 -14.304 -23.046 -19.844 1.00 1.00 C ATOM 839 NE2 HIS A 54 -13.640 -22.257 -20.694 1.00 1.00 N ATOM 0 H HIS A 54 -11.126 -20.733 -15.269 1.00 1.00 H new ATOM 0 HA HIS A 54 -11.055 -22.831 -17.166 1.00 1.00 H new ATOM 0 HB2 HIS A 54 -13.073 -21.485 -16.453 1.00 1.00 H new ATOM 0 HB3 HIS A 54 -12.444 -20.115 -17.344 1.00 1.00 H new ATOM 0 HD2 HIS A 54 -12.177 -20.676 -20.252 1.00 1.00 H new ATOM 0 HE1 HIS A 54 -15.009 -23.806 -20.147 1.00 1.00 H new ATOM 0 HE2 HIS A 54 -13.699 -22.254 -21.712 1.00 1.00 H new ATOM 848 N PHE A 55 -9.687 -19.981 -18.134 1.00 1.00 N ATOM 849 CA PHE A 55 -8.790 -19.388 -19.117 1.00 1.00 C ATOM 850 C PHE A 55 -7.448 -20.116 -19.109 1.00 1.00 C ATOM 851 O PHE A 55 -6.871 -20.350 -20.168 1.00 1.00 O ATOM 852 CB PHE A 55 -8.552 -17.889 -18.773 1.00 1.00 C ATOM 853 CG PHE A 55 -9.745 -17.045 -19.224 1.00 1.00 C ATOM 854 CD1 PHE A 55 -9.874 -16.698 -20.581 1.00 1.00 C ATOM 855 CD2 PHE A 55 -10.713 -16.607 -18.304 1.00 1.00 C ATOM 856 CE1 PHE A 55 -10.956 -15.927 -21.011 1.00 1.00 C ATOM 857 CE2 PHE A 55 -11.794 -15.834 -18.743 1.00 1.00 C ATOM 858 CZ PHE A 55 -11.914 -15.494 -20.093 1.00 1.00 C ATOM 0 H PHE A 55 -9.946 -19.358 -17.369 1.00 1.00 H new ATOM 0 HA PHE A 55 -9.246 -19.475 -20.103 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -8.402 -17.775 -17.699 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -7.643 -17.537 -19.261 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -9.133 -17.029 -21.293 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.623 -16.867 -17.260 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -11.052 -15.666 -22.055 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -12.538 -15.499 -18.036 1.00 1.00 H new ATOM 0 HZ PHE A 55 -12.749 -14.896 -20.426 1.00 1.00 H new ATOM 868 N ILE A 56 -6.939 -20.470 -17.933 1.00 1.00 N ATOM 869 CA ILE A 56 -5.640 -21.156 -17.869 1.00 1.00 C ATOM 870 C ILE A 56 -5.761 -22.529 -18.530 1.00 1.00 C ATOM 871 O ILE A 56 -4.894 -22.931 -19.298 1.00 1.00 O ATOM 872 CB ILE A 56 -5.153 -21.279 -16.413 1.00 1.00 C ATOM 873 CG1 ILE A 56 -5.154 -19.878 -15.735 1.00 1.00 C ATOM 874 CG2 ILE A 56 -3.728 -21.864 -16.383 1.00 1.00 C ATOM 875 CD1 ILE A 56 -4.831 -19.962 -14.221 1.00 1.00 C ATOM 0 H ILE A 56 -7.386 -20.302 -17.032 1.00 1.00 H new ATOM 0 HA ILE A 56 -4.897 -20.568 -18.408 1.00 1.00 H new ATOM 0 HB ILE A 56 -5.826 -21.943 -15.871 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -4.422 -19.238 -16.226 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -6.129 -19.410 -15.872 1.00 1.00 H new ATOM 0 HG21 ILE A 56 -3.391 -21.948 -15.350 1.00 1.00 H new ATOM 0 HG22 ILE A 56 -3.730 -22.851 -16.845 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -3.054 -21.207 -16.933 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -4.843 -18.961 -13.790 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -5.578 -20.580 -13.723 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -3.844 -20.404 -14.083 1.00 1.00 H new ATOM 887 N SER A 57 -6.842 -23.241 -18.234 1.00 1.00 N ATOM 888 CA SER A 57 -7.051 -24.569 -18.806 1.00 1.00 C ATOM 889 C SER A 57 -7.077 -24.516 -20.339 1.00 1.00 C ATOM 890 O SER A 57 -6.441 -25.335 -21.003 1.00 1.00 O ATOM 891 CB SER A 57 -8.372 -25.140 -18.285 1.00 1.00 C ATOM 892 OG SER A 57 -8.562 -26.449 -18.804 1.00 1.00 O ATOM 0 H SER A 57 -7.582 -22.926 -17.607 1.00 1.00 H new ATOM 0 HA SER A 57 -6.222 -25.210 -18.505 1.00 1.00 H new ATOM 0 HB2 SER A 57 -8.364 -25.167 -17.195 1.00 1.00 H new ATOM 0 HB3 SER A 57 -9.200 -24.496 -18.581 1.00 1.00 H new ATOM 0 HG SER A 57 -9.407 -26.814 -18.469 1.00 1.00 H new ATOM 898 N GLN A 58 -7.815 -23.552 -20.897 1.00 1.00 N ATOM 899 CA GLN A 58 -7.913 -23.405 -22.361 1.00 1.00 C ATOM 900 C GLN A 58 -6.587 -22.900 -22.955 1.00 1.00 C ATOM 901 O GLN A 58 -6.183 -23.346 -24.032 1.00 1.00 O ATOM 902 CB GLN A 58 -9.066 -22.446 -22.715 1.00 1.00 C ATOM 903 CG GLN A 58 -9.308 -22.425 -24.234 1.00 1.00 C ATOM 904 CD GLN A 58 -10.461 -21.486 -24.578 1.00 1.00 C ATOM 905 OE1 GLN A 58 -11.256 -21.125 -23.709 1.00 1.00 O ATOM 906 NE2 GLN A 58 -10.599 -21.067 -25.806 1.00 1.00 N ATOM 0 H GLN A 58 -8.351 -22.865 -20.367 1.00 1.00 H new ATOM 0 HA GLN A 58 -8.120 -24.383 -22.794 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -9.975 -22.757 -22.201 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -8.830 -21.441 -22.365 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -8.403 -22.102 -24.748 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -9.533 -23.432 -24.586 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -9.940 -21.367 -26.524 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -11.366 -20.440 -26.048 1.00 1.00 H new ATOM 915 N ILE A 59 -5.909 -21.979 -22.261 1.00 1.00 N ATOM 916 CA ILE A 59 -4.631 -21.444 -22.762 1.00 1.00 C ATOM 917 C ILE A 59 -3.605 -22.576 -22.896 1.00 1.00 C ATOM 918 O ILE A 59 -2.929 -22.675 -23.915 1.00 1.00 O ATOM 919 CB ILE A 59 -4.115 -20.325 -21.798 1.00 1.00 C ATOM 920 CG1 ILE A 59 -4.945 -19.011 -22.004 1.00 1.00 C ATOM 921 CG2 ILE A 59 -2.594 -20.019 -22.025 1.00 1.00 C ATOM 922 CD1 ILE A 59 -4.722 -18.055 -20.821 1.00 1.00 C ATOM 0 H ILE A 59 -6.213 -21.592 -21.367 1.00 1.00 H new ATOM 0 HA ILE A 59 -4.780 -21.006 -23.749 1.00 1.00 H new ATOM 0 HB ILE A 59 -4.242 -20.688 -20.778 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -4.649 -18.526 -22.934 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -6.005 -19.251 -22.093 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -2.274 -19.237 -21.337 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -2.010 -20.922 -21.845 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -2.439 -19.685 -23.051 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -5.303 -17.145 -20.974 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -5.041 -18.538 -19.898 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -3.664 -17.802 -20.752 1.00 1.00 H new ATOM 934 N GLU A 60 -3.501 -23.435 -21.883 1.00 1.00 N ATOM 935 CA GLU A 60 -2.546 -24.549 -21.935 1.00 1.00 C ATOM 936 C GLU A 60 -2.740 -25.366 -23.222 1.00 1.00 C ATOM 937 O GLU A 60 -1.767 -25.752 -23.871 1.00 1.00 O ATOM 938 CB GLU A 60 -2.723 -25.451 -20.686 1.00 1.00 C ATOM 939 CG GLU A 60 -2.181 -24.747 -19.421 1.00 1.00 C ATOM 940 CD GLU A 60 -2.468 -25.576 -18.163 1.00 1.00 C ATOM 941 OE1 GLU A 60 -2.979 -26.679 -18.294 1.00 1.00 O ATOM 942 OE2 GLU A 60 -2.173 -25.091 -17.083 1.00 1.00 O ATOM 0 H GLU A 60 -4.055 -23.386 -21.028 1.00 1.00 H new ATOM 0 HA GLU A 60 -1.533 -24.146 -21.939 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -3.778 -25.690 -20.551 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -2.199 -26.395 -20.836 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -1.107 -24.590 -19.520 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -2.639 -23.763 -19.324 1.00 1.00 H new ATOM 949 N SER A 61 -4.001 -25.610 -23.593 1.00 1.00 N ATOM 950 CA SER A 61 -4.305 -26.369 -24.818 1.00 1.00 C ATOM 951 C SER A 61 -4.089 -25.491 -26.062 1.00 1.00 C ATOM 952 O SER A 61 -3.737 -25.995 -27.128 1.00 1.00 O ATOM 953 CB SER A 61 -5.737 -26.903 -24.774 1.00 1.00 C ATOM 954 OG SER A 61 -6.639 -25.809 -24.688 1.00 1.00 O ATOM 0 H SER A 61 -4.821 -25.299 -23.072 1.00 1.00 H new ATOM 0 HA SER A 61 -3.625 -27.219 -24.878 1.00 1.00 H new ATOM 0 HB2 SER A 61 -5.946 -27.493 -25.666 1.00 1.00 H new ATOM 0 HB3 SER A 61 -5.865 -27.564 -23.917 1.00 1.00 H new ATOM 0 HG SER A 61 -6.136 -24.982 -24.536 1.00 1.00 H new ATOM 960 N MET A 62 -4.285 -24.179 -25.920 1.00 1.00 N ATOM 961 CA MET A 62 -4.093 -23.246 -27.042 1.00 1.00 C ATOM 962 C MET A 62 -2.642 -23.286 -27.521 1.00 1.00 C ATOM 963 O MET A 62 -2.373 -23.120 -28.707 1.00 1.00 O ATOM 964 CB MET A 62 -4.483 -21.806 -26.620 1.00 1.00 C ATOM 965 CG MET A 62 -4.474 -20.818 -27.831 1.00 1.00 C ATOM 966 SD MET A 62 -2.774 -20.280 -28.200 1.00 1.00 S ATOM 967 CE MET A 62 -2.685 -18.839 -27.098 1.00 1.00 C ATOM 0 H MET A 62 -4.574 -23.737 -25.048 1.00 1.00 H new ATOM 0 HA MET A 62 -4.740 -23.552 -27.864 1.00 1.00 H new ATOM 0 HB2 MET A 62 -5.475 -21.817 -26.168 1.00 1.00 H new ATOM 0 HB3 MET A 62 -3.789 -21.451 -25.858 1.00 1.00 H new ATOM 0 HG2 MET A 62 -4.907 -21.302 -28.706 1.00 1.00 H new ATOM 0 HG3 MET A 62 -5.096 -19.951 -27.606 1.00 1.00 H new ATOM 0 HE1 MET A 62 -1.704 -18.373 -27.187 1.00 1.00 H new ATOM 0 HE2 MET A 62 -3.455 -18.120 -27.377 1.00 1.00 H new ATOM 0 HE3 MET A 62 -2.842 -19.158 -26.068 1.00 1.00 H new ATOM 977 N LEU A 63 -1.708 -23.506 -26.605 1.00 1.00 N ATOM 978 CA LEU A 63 -0.290 -23.569 -26.973 1.00 1.00 C ATOM 979 C LEU A 63 -0.051 -24.742 -27.929 1.00 1.00 C ATOM 980 O LEU A 63 0.699 -24.620 -28.893 1.00 1.00 O ATOM 981 CB LEU A 63 0.558 -23.740 -25.706 1.00 1.00 C ATOM 982 CG LEU A 63 0.396 -22.510 -24.768 1.00 1.00 C ATOM 983 CD1 LEU A 63 1.081 -22.802 -23.425 1.00 1.00 C ATOM 984 CD2 LEU A 63 1.007 -21.218 -25.391 1.00 1.00 C ATOM 0 H LEU A 63 -1.898 -23.643 -25.612 1.00 1.00 H new ATOM 0 HA LEU A 63 -0.004 -22.645 -27.475 1.00 1.00 H new ATOM 0 HB2 LEU A 63 0.258 -24.647 -25.181 1.00 1.00 H new ATOM 0 HB3 LEU A 63 1.607 -23.861 -25.977 1.00 1.00 H new ATOM 0 HG LEU A 63 -0.670 -22.338 -24.623 1.00 1.00 H new ATOM 0 HD11 LEU A 63 0.969 -21.942 -22.765 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.620 -23.675 -22.964 1.00 1.00 H new ATOM 0 HD13 LEU A 63 2.141 -22.996 -23.592 1.00 1.00 H new ATOM 0 HD21 LEU A 63 0.872 -20.383 -24.703 1.00 1.00 H new ATOM 0 HD22 LEU A 63 2.071 -21.370 -25.573 1.00 1.00 H new ATOM 0 HD23 LEU A 63 0.506 -20.996 -26.333 1.00 1.00 H new ATOM 996 N THR A 64 -0.703 -25.872 -27.655 1.00 1.00 N ATOM 997 CA THR A 64 -0.574 -27.068 -28.494 1.00 1.00 C ATOM 998 C THR A 64 -1.357 -26.916 -29.803 1.00 1.00 C ATOM 999 O THR A 64 -0.791 -27.057 -30.889 1.00 1.00 O ATOM 1000 CB THR A 64 -1.118 -28.286 -27.728 1.00 1.00 C ATOM 1001 OG1 THR A 64 -2.500 -28.096 -27.467 1.00 1.00 O ATOM 1002 CG2 THR A 64 -0.366 -28.443 -26.402 1.00 1.00 C ATOM 0 H THR A 64 -1.328 -25.986 -26.857 1.00 1.00 H new ATOM 0 HA THR A 64 0.481 -27.204 -28.733 1.00 1.00 H new ATOM 0 HB THR A 64 -0.977 -29.184 -28.329 1.00 1.00 H new ATOM 0 HG1 THR A 64 -2.623 -27.286 -26.929 1.00 1.00 H new ATOM 0 HG21 THR A 64 -0.755 -29.307 -25.863 1.00 1.00 H new ATOM 0 HG22 THR A 64 0.696 -28.587 -26.601 1.00 1.00 H new ATOM 0 HG23 THR A 64 -0.503 -27.546 -25.797 1.00 1.00 H new ATOM 1010 N THR A 65 -2.661 -26.641 -29.699 1.00 1.00 N ATOM 1011 CA THR A 65 -3.511 -26.489 -30.891 1.00 1.00 C ATOM 1012 C THR A 65 -3.150 -25.227 -31.671 1.00 1.00 C ATOM 1013 O THR A 65 -3.139 -25.231 -32.902 1.00 1.00 O ATOM 1014 CB THR A 65 -4.987 -26.427 -30.478 1.00 1.00 C ATOM 1015 OG1 THR A 65 -5.196 -25.287 -29.657 1.00 1.00 O ATOM 1016 CG2 THR A 65 -5.362 -27.688 -29.696 1.00 1.00 C ATOM 0 H THR A 65 -3.150 -26.519 -28.812 1.00 1.00 H new ATOM 0 HA THR A 65 -3.343 -27.353 -31.534 1.00 1.00 H new ATOM 0 HB THR A 65 -5.608 -26.360 -31.371 1.00 1.00 H new ATOM 0 HG1 THR A 65 -4.837 -25.458 -28.762 1.00 1.00 H new ATOM 0 HG21 THR A 65 -6.411 -27.637 -29.406 1.00 1.00 H new ATOM 0 HG22 THR A 65 -5.200 -28.566 -30.322 1.00 1.00 H new ATOM 0 HG23 THR A 65 -4.742 -27.760 -28.803 1.00 1.00 H new ATOM 1024 N GLY A 66 -2.847 -24.145 -30.957 1.00 1.00 N ATOM 1025 CA GLY A 66 -2.480 -22.878 -31.599 1.00 1.00 C ATOM 1026 C GLY A 66 -1.021 -22.903 -32.020 1.00 1.00 C ATOM 1027 O GLY A 66 -0.572 -22.063 -32.797 1.00 1.00 O ATOM 0 H GLY A 66 -2.847 -24.117 -29.937 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -3.114 -22.707 -32.469 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -2.653 -22.050 -30.911 1.00 1.00 H new ATOM 1031 N GLU A 67 -0.273 -23.872 -31.486 1.00 1.00 N ATOM 1032 CA GLU A 67 1.154 -23.999 -31.793 1.00 1.00 C ATOM 1033 C GLU A 67 1.860 -22.659 -31.554 1.00 1.00 C ATOM 1034 O GLU A 67 2.036 -21.879 -32.490 1.00 1.00 O ATOM 1035 CB GLU A 67 1.341 -24.445 -33.259 1.00 1.00 C ATOM 1036 CG GLU A 67 2.829 -24.720 -33.553 1.00 1.00 C ATOM 1037 CD GLU A 67 3.002 -25.197 -34.993 1.00 1.00 C ATOM 1038 OE1 GLU A 67 2.442 -24.565 -35.873 1.00 1.00 O ATOM 1039 OE2 GLU A 67 3.696 -26.181 -35.194 1.00 1.00 O ATOM 0 H GLU A 67 -0.630 -24.577 -30.842 1.00 1.00 H new ATOM 0 HA GLU A 67 1.594 -24.752 -31.138 1.00 1.00 H new ATOM 0 HB2 GLU A 67 0.754 -25.344 -33.450 1.00 1.00 H new ATOM 0 HB3 GLU A 67 0.968 -23.672 -33.931 1.00 1.00 H new ATOM 0 HG2 GLU A 67 3.413 -23.814 -33.389 1.00 1.00 H new ATOM 0 HG3 GLU A 67 3.210 -25.474 -32.864 1.00 1.00 H new ATOM 1046 N LEU A 68 2.265 -22.385 -30.306 1.00 1.00 N ATOM 1047 CA LEU A 68 2.951 -21.121 -29.999 1.00 1.00 C ATOM 1048 C LEU A 68 4.415 -21.256 -30.376 1.00 1.00 C ATOM 1049 O LEU A 68 5.009 -22.316 -30.189 1.00 1.00 O ATOM 1050 CB LEU A 68 2.836 -20.784 -28.487 1.00 1.00 C ATOM 1051 CG LEU A 68 3.537 -19.428 -28.143 1.00 1.00 C ATOM 1052 CD1 LEU A 68 2.894 -18.239 -28.916 1.00 1.00 C ATOM 1053 CD2 LEU A 68 3.437 -19.178 -26.626 1.00 1.00 C ATOM 0 H LEU A 68 2.134 -23.006 -29.508 1.00 1.00 H new ATOM 0 HA LEU A 68 2.484 -20.316 -30.567 1.00 1.00 H new ATOM 0 HB2 LEU A 68 1.785 -20.732 -28.204 1.00 1.00 H new ATOM 0 HB3 LEU A 68 3.285 -21.585 -27.900 1.00 1.00 H new ATOM 0 HG LEU A 68 4.582 -19.495 -28.446 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.406 -17.314 -28.652 1.00 1.00 H new ATOM 0 HD12 LEU A 68 2.985 -18.411 -29.989 1.00 1.00 H new ATOM 0 HD13 LEU A 68 1.840 -18.159 -28.649 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.924 -18.234 -26.380 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.388 -19.132 -26.333 1.00 1.00 H new ATOM 0 HD23 LEU A 68 3.928 -19.990 -26.090 1.00 1.00 H new ATOM 1065 N ASN A 69 5.006 -20.176 -30.898 1.00 1.00 N ATOM 1066 CA ASN A 69 6.421 -20.189 -31.285 1.00 1.00 C ATOM 1067 C ASN A 69 7.021 -18.766 -31.180 1.00 1.00 C ATOM 1068 O ASN A 69 6.432 -17.825 -31.711 1.00 1.00 O ATOM 1069 CB ASN A 69 6.564 -20.681 -32.737 1.00 1.00 C ATOM 1070 CG ASN A 69 8.044 -20.795 -33.106 1.00 1.00 C ATOM 1071 OD1 ASN A 69 8.696 -21.783 -32.769 1.00 1.00 O ATOM 1072 ND2 ASN A 69 8.614 -19.829 -33.772 1.00 1.00 N ATOM 0 H ASN A 69 4.531 -19.288 -31.061 1.00 1.00 H new ATOM 0 HA ASN A 69 6.954 -20.860 -30.611 1.00 1.00 H new ATOM 0 HB2 ASN A 69 6.076 -21.649 -32.852 1.00 1.00 H new ATOM 0 HB3 ASN A 69 6.064 -19.990 -33.415 1.00 1.00 H new ATOM 0 HD21 ASN A 69 9.603 -19.891 -34.015 1.00 1.00 H new ATOM 0 HD22 ASN A 69 8.071 -19.011 -34.050 1.00 1.00 H new ATOM 1079 N PRO A 70 8.172 -18.568 -30.548 1.00 1.00 N ATOM 1080 CA PRO A 70 8.791 -17.204 -30.462 1.00 1.00 C ATOM 1081 C PRO A 70 9.443 -16.827 -31.799 1.00 1.00 C ATOM 1082 O PRO A 70 10.529 -17.311 -32.121 1.00 1.00 O ATOM 1083 CB PRO A 70 9.833 -17.368 -29.337 1.00 1.00 C ATOM 1084 CG PRO A 70 10.269 -18.802 -29.428 1.00 1.00 C ATOM 1085 CD PRO A 70 9.011 -19.583 -29.852 1.00 1.00 C ATOM 0 HA PRO A 70 8.078 -16.406 -30.256 1.00 1.00 H new ATOM 0 HB2 PRO A 70 10.674 -16.689 -29.474 1.00 1.00 H new ATOM 0 HB3 PRO A 70 9.401 -17.147 -28.361 1.00 1.00 H new ATOM 0 HG2 PRO A 70 11.071 -18.924 -30.156 1.00 1.00 H new ATOM 0 HG3 PRO A 70 10.650 -19.159 -28.471 1.00 1.00 H new ATOM 0 HD2 PRO A 70 9.261 -20.414 -30.512 1.00 1.00 H new ATOM 0 HD3 PRO A 70 8.494 -20.005 -28.990 1.00 1.00 H new ATOM 1093 N ARG A 71 8.761 -15.976 -32.582 1.00 1.00 N ATOM 1094 CA ARG A 71 9.263 -15.543 -33.901 1.00 1.00 C ATOM 1095 C ARG A 71 8.856 -14.097 -34.207 1.00 1.00 C ATOM 1096 O ARG A 71 9.583 -13.355 -34.867 1.00 1.00 O ATOM 1097 CB ARG A 71 8.687 -16.484 -34.994 1.00 1.00 C ATOM 1098 CG ARG A 71 7.150 -16.533 -34.947 1.00 1.00 C ATOM 1099 CD ARG A 71 6.637 -17.517 -36.011 1.00 1.00 C ATOM 1100 NE ARG A 71 7.002 -17.044 -37.353 1.00 1.00 N ATOM 1101 CZ ARG A 71 6.394 -15.999 -37.925 1.00 1.00 C ATOM 1102 NH1 ARG A 71 5.423 -15.380 -37.308 1.00 1.00 N ATOM 1103 NH2 ARG A 71 6.771 -15.598 -39.109 1.00 1.00 N ATOM 0 H ARG A 71 7.860 -15.573 -32.327 1.00 1.00 H new ATOM 0 HA ARG A 71 10.352 -15.592 -33.890 1.00 1.00 H new ATOM 0 HB2 ARG A 71 9.011 -16.142 -35.977 1.00 1.00 H new ATOM 0 HB3 ARG A 71 9.088 -17.488 -34.858 1.00 1.00 H new ATOM 0 HG2 ARG A 71 6.815 -16.844 -33.957 1.00 1.00 H new ATOM 0 HG3 ARG A 71 6.738 -15.540 -35.126 1.00 1.00 H new ATOM 0 HD2 ARG A 71 7.061 -18.506 -35.838 1.00 1.00 H new ATOM 0 HD3 ARG A 71 5.554 -17.616 -35.934 1.00 1.00 H new ATOM 0 HE ARG A 71 7.741 -17.527 -37.864 1.00 1.00 H new ATOM 0 HH11 ARG A 71 5.124 -15.693 -36.384 1.00 1.00 H new ATOM 0 HH12 ARG A 71 4.964 -14.584 -37.750 1.00 1.00 H new ATOM 0 HH21 ARG A 71 7.527 -16.081 -39.594 1.00 1.00 H new ATOM 0 HH22 ARG A 71 6.310 -14.801 -39.548 1.00 1.00 H new ATOM 1117 N HIS A 72 7.662 -13.724 -33.732 1.00 1.00 N ATOM 1118 CA HIS A 72 7.114 -12.383 -33.963 1.00 1.00 C ATOM 1119 C HIS A 72 5.917 -12.111 -33.043 1.00 1.00 C ATOM 1120 O HIS A 72 5.239 -13.032 -32.589 1.00 1.00 O ATOM 1121 CB HIS A 72 6.681 -12.251 -35.437 1.00 1.00 C ATOM 1122 CG HIS A 72 6.224 -10.843 -35.732 1.00 1.00 C ATOM 1123 ND1 HIS A 72 7.068 -9.753 -35.590 1.00 1.00 N ATOM 1124 CD2 HIS A 72 5.023 -10.334 -36.161 1.00 1.00 C ATOM 1125 CE1 HIS A 72 6.370 -8.653 -35.925 1.00 1.00 C ATOM 1126 NE2 HIS A 72 5.119 -8.950 -36.282 1.00 1.00 N ATOM 0 H HIS A 72 7.056 -14.334 -33.184 1.00 1.00 H new ATOM 0 HA HIS A 72 7.889 -11.649 -33.739 1.00 1.00 H new ATOM 0 HB2 HIS A 72 7.513 -12.514 -36.091 1.00 1.00 H new ATOM 0 HB3 HIS A 72 5.875 -12.953 -35.649 1.00 1.00 H new ATOM 0 HD2 HIS A 72 4.139 -10.918 -36.372 1.00 1.00 H new ATOM 0 HE1 HIS A 72 6.773 -7.651 -35.907 1.00 1.00 H new ATOM 0 HE2 HIS A 72 4.390 -8.302 -36.580 1.00 1.00 H new ATOM 1135 N ALA A 73 5.668 -10.822 -32.791 1.00 1.00 N ATOM 1136 CA ALA A 73 4.559 -10.399 -31.939 1.00 1.00 C ATOM 1137 C ALA A 73 3.229 -10.829 -32.549 1.00 1.00 C ATOM 1138 O ALA A 73 3.081 -10.866 -33.770 1.00 1.00 O ATOM 1139 CB ALA A 73 4.581 -8.870 -31.782 1.00 1.00 C ATOM 0 H ALA A 73 6.223 -10.054 -33.168 1.00 1.00 H new ATOM 0 HA ALA A 73 4.669 -10.869 -30.961 1.00 1.00 H new ATOM 0 HB1 ALA A 73 3.753 -8.558 -31.146 1.00 1.00 H new ATOM 0 HB2 ALA A 73 5.523 -8.564 -31.327 1.00 1.00 H new ATOM 0 HB3 ALA A 73 4.483 -8.402 -32.762 1.00 1.00 H new ATOM 1145 N GLN A 74 2.260 -11.153 -31.694 1.00 1.00 N ATOM 1146 CA GLN A 74 0.937 -11.582 -32.161 1.00 1.00 C ATOM 1147 C GLN A 74 -0.094 -11.400 -31.038 1.00 1.00 C ATOM 1148 O GLN A 74 -0.164 -12.192 -30.100 1.00 1.00 O ATOM 1149 CB GLN A 74 1.004 -13.076 -32.617 1.00 1.00 C ATOM 1150 CG GLN A 74 1.906 -13.898 -31.661 1.00 1.00 C ATOM 1151 CD GLN A 74 1.865 -15.382 -32.026 1.00 1.00 C ATOM 1152 OE1 GLN A 74 0.816 -16.016 -31.922 1.00 1.00 O ATOM 1153 NE2 GLN A 74 2.951 -15.978 -32.440 1.00 1.00 N ATOM 0 H GLN A 74 2.362 -11.128 -30.679 1.00 1.00 H new ATOM 0 HA GLN A 74 0.631 -10.972 -33.011 1.00 1.00 H new ATOM 0 HB2 GLN A 74 0.001 -13.502 -32.635 1.00 1.00 H new ATOM 0 HB3 GLN A 74 1.393 -13.135 -33.633 1.00 1.00 H new ATOM 0 HG2 GLN A 74 2.931 -13.533 -31.716 1.00 1.00 H new ATOM 0 HG3 GLN A 74 1.574 -13.762 -30.632 1.00 1.00 H new ATOM 0 HE21 GLN A 74 3.820 -15.452 -32.526 1.00 1.00 H new ATOM 0 HE22 GLN A 74 2.930 -16.970 -32.677 1.00 1.00 H new ATOM 1162 N CYS A 75 -0.901 -10.340 -31.146 1.00 1.00 N ATOM 1163 CA CYS A 75 -1.934 -10.048 -30.145 1.00 1.00 C ATOM 1164 C CYS A 75 -3.187 -10.864 -30.430 1.00 1.00 C ATOM 1165 O CYS A 75 -3.600 -10.980 -31.585 1.00 1.00 O ATOM 1166 CB CYS A 75 -2.275 -8.552 -30.164 1.00 1.00 C ATOM 1167 SG CYS A 75 -3.466 -8.189 -28.849 1.00 1.00 S ATOM 0 H CYS A 75 -0.860 -9.671 -31.915 1.00 1.00 H new ATOM 0 HA CYS A 75 -1.552 -10.316 -29.160 1.00 1.00 H new ATOM 0 HB2 CYS A 75 -1.371 -7.960 -30.024 1.00 1.00 H new ATOM 0 HB3 CYS A 75 -2.691 -8.275 -31.133 1.00 1.00 H new ATOM 0 HG CYS A 75 -3.754 -6.921 -28.862 1.00 1.00 H new ATOM 1173 N VAL A 76 -3.792 -11.427 -29.372 1.00 1.00 N ATOM 1174 CA VAL A 76 -5.019 -12.237 -29.507 1.00 1.00 C ATOM 1175 C VAL A 76 -6.029 -11.803 -28.453 1.00 1.00 C ATOM 1176 O VAL A 76 -5.646 -11.307 -27.392 1.00 1.00 O ATOM 1177 CB VAL A 76 -4.685 -13.738 -29.354 1.00 1.00 C ATOM 1178 CG1 VAL A 76 -3.755 -14.182 -30.497 1.00 1.00 C ATOM 1179 CG2 VAL A 76 -3.982 -13.990 -28.004 1.00 1.00 C ATOM 0 H VAL A 76 -3.454 -11.338 -28.414 1.00 1.00 H new ATOM 0 HA VAL A 76 -5.450 -12.083 -30.496 1.00 1.00 H new ATOM 0 HB VAL A 76 -5.613 -14.309 -29.391 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -3.522 -15.241 -30.386 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -4.251 -14.018 -31.454 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -2.833 -13.602 -30.462 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -3.751 -15.051 -27.906 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -3.059 -13.412 -27.961 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -4.639 -13.685 -27.189 1.00 1.00 H new ATOM 1189 N THR A 77 -7.321 -11.996 -28.749 1.00 1.00 N ATOM 1190 CA THR A 77 -8.408 -11.628 -27.821 1.00 1.00 C ATOM 1191 C THR A 77 -9.386 -12.791 -27.694 1.00 1.00 C ATOM 1192 O THR A 77 -10.203 -13.021 -28.584 1.00 1.00 O ATOM 1193 CB THR A 77 -9.140 -10.392 -28.361 1.00 1.00 C ATOM 1194 OG1 THR A 77 -9.711 -10.698 -29.624 1.00 1.00 O ATOM 1195 CG2 THR A 77 -8.150 -9.230 -28.517 1.00 1.00 C ATOM 0 H THR A 77 -7.644 -12.406 -29.626 1.00 1.00 H new ATOM 0 HA THR A 77 -7.990 -11.402 -26.840 1.00 1.00 H new ATOM 0 HB THR A 77 -9.926 -10.104 -27.663 1.00 1.00 H new ATOM 0 HG1 THR A 77 -9.919 -11.655 -29.666 1.00 1.00 H new ATOM 0 HG21 THR A 77 -8.674 -8.355 -28.901 1.00 1.00 H new ATOM 0 HG22 THR A 77 -7.710 -8.994 -27.548 1.00 1.00 H new ATOM 0 HG23 THR A 77 -7.361 -9.515 -29.213 1.00 1.00 H new ATOM 1203 N LEU A 78 -9.306 -13.526 -26.581 1.00 1.00 N ATOM 1204 CA LEU A 78 -10.197 -14.671 -26.335 1.00 1.00 C ATOM 1205 C LEU A 78 -11.428 -14.170 -25.587 1.00 1.00 C ATOM 1206 O LEU A 78 -11.319 -13.275 -24.749 1.00 1.00 O ATOM 1207 CB LEU A 78 -9.452 -15.740 -25.490 1.00 1.00 C ATOM 1208 CG LEU A 78 -8.503 -16.593 -26.372 1.00 1.00 C ATOM 1209 CD1 LEU A 78 -7.468 -15.698 -27.093 1.00 1.00 C ATOM 1210 CD2 LEU A 78 -7.778 -17.617 -25.481 1.00 1.00 C ATOM 0 H LEU A 78 -8.634 -13.351 -25.834 1.00 1.00 H new ATOM 0 HA LEU A 78 -10.499 -15.126 -27.278 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -8.879 -15.250 -24.703 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -10.177 -16.389 -24.999 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.092 -17.109 -27.131 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.814 -16.319 -27.705 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -7.987 -14.981 -27.729 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -6.872 -15.163 -26.354 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.108 -18.222 -26.092 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -7.200 -17.093 -24.720 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -8.511 -18.263 -24.999 1.00 1.00 H new ATOM 1222 N TYR A 79 -12.601 -14.750 -25.895 1.00 1.00 N ATOM 1223 CA TYR A 79 -13.869 -14.364 -25.250 1.00 1.00 C ATOM 1224 C TYR A 79 -14.540 -15.599 -24.650 1.00 1.00 C ATOM 1225 O TYR A 79 -14.739 -16.599 -25.338 1.00 1.00 O ATOM 1226 CB TYR A 79 -14.796 -13.749 -26.308 1.00 1.00 C ATOM 1227 CG TYR A 79 -14.138 -12.504 -26.891 1.00 1.00 C ATOM 1228 CD1 TYR A 79 -13.281 -12.610 -28.001 1.00 1.00 C ATOM 1229 CD2 TYR A 79 -14.376 -11.243 -26.319 1.00 1.00 C ATOM 1230 CE1 TYR A 79 -12.670 -11.466 -28.528 1.00 1.00 C ATOM 1231 CE2 TYR A 79 -13.764 -10.101 -26.852 1.00 1.00 C ATOM 1232 CZ TYR A 79 -12.913 -10.213 -27.956 1.00 1.00 C ATOM 1233 OH TYR A 79 -12.306 -9.088 -28.476 1.00 1.00 O ATOM 0 H TYR A 79 -12.698 -15.491 -26.589 1.00 1.00 H new ATOM 0 HA TYR A 79 -13.672 -13.642 -24.458 1.00 1.00 H new ATOM 0 HB2 TYR A 79 -14.996 -14.473 -27.098 1.00 1.00 H new ATOM 0 HB3 TYR A 79 -15.756 -13.492 -25.861 1.00 1.00 H new ATOM 0 HD1 TYR A 79 -13.094 -13.575 -28.448 1.00 1.00 H new ATOM 0 HD2 TYR A 79 -15.033 -11.154 -25.466 1.00 1.00 H new ATOM 0 HE1 TYR A 79 -12.009 -11.551 -29.378 1.00 1.00 H new ATOM 0 HE2 TYR A 79 -13.950 -9.133 -26.410 1.00 1.00 H new ATOM 0 HH TYR A 79 -11.532 -9.354 -29.015 1.00 1.00 H new ATOM 1243 N HIS A 80 -14.899 -15.526 -23.368 1.00 1.00 N ATOM 1244 CA HIS A 80 -15.562 -16.649 -22.700 1.00 1.00 C ATOM 1245 C HIS A 80 -16.223 -16.167 -21.416 1.00 1.00 C ATOM 1246 O HIS A 80 -15.656 -15.353 -20.689 1.00 1.00 O ATOM 1247 CB HIS A 80 -14.539 -17.751 -22.378 1.00 1.00 C ATOM 1248 CG HIS A 80 -15.242 -18.958 -21.812 1.00 1.00 C ATOM 1249 ND1 HIS A 80 -16.192 -19.662 -22.533 1.00 1.00 N ATOM 1250 CD2 HIS A 80 -15.155 -19.580 -20.595 1.00 1.00 C ATOM 1251 CE1 HIS A 80 -16.638 -20.659 -21.747 1.00 1.00 C ATOM 1252 NE2 HIS A 80 -16.038 -20.655 -20.554 1.00 1.00 N ATOM 0 H HIS A 80 -14.744 -14.710 -22.775 1.00 1.00 H new ATOM 0 HA HIS A 80 -16.323 -17.057 -23.365 1.00 1.00 H new ATOM 0 HB2 HIS A 80 -13.994 -18.027 -23.281 1.00 1.00 H new ATOM 0 HB3 HIS A 80 -13.805 -17.379 -21.663 1.00 1.00 H new ATOM 0 HD1 HIS A 80 -16.498 -19.462 -23.485 1.00 1.00 H new ATOM 0 HD2 HIS A 80 -14.501 -19.282 -19.789 1.00 1.00 H new ATOM 0 HE1 HIS A 80 -17.390 -21.375 -22.045 1.00 1.00 H new ATOM 1261 N ASN A 81 -17.418 -16.668 -21.140 1.00 1.00 N ATOM 1262 CA ASN A 81 -18.144 -16.282 -19.937 1.00 1.00 C ATOM 1263 C ASN A 81 -18.273 -14.759 -19.829 1.00 1.00 C ATOM 1264 O ASN A 81 -18.412 -14.212 -18.738 1.00 1.00 O ATOM 1265 CB ASN A 81 -17.436 -16.842 -18.693 1.00 1.00 C ATOM 1266 CG ASN A 81 -17.278 -18.357 -18.807 1.00 1.00 C ATOM 1267 OD1 ASN A 81 -16.368 -18.930 -18.209 1.00 1.00 O ATOM 1268 ND2 ASN A 81 -18.114 -19.046 -19.537 1.00 1.00 N ATOM 0 H ASN A 81 -17.906 -17.341 -21.731 1.00 1.00 H new ATOM 0 HA ASN A 81 -19.148 -16.701 -19.999 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -16.457 -16.375 -18.583 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -18.009 -16.596 -17.799 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -18.012 -20.058 -19.611 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -18.869 -18.572 -20.033 1.00 1.00 H new ATOM 1275 N GLY A 82 -18.236 -14.084 -20.980 1.00 1.00 N ATOM 1276 CA GLY A 82 -18.349 -12.622 -21.032 1.00 1.00 C ATOM 1277 C GLY A 82 -17.007 -11.959 -20.738 1.00 1.00 C ATOM 1278 O GLY A 82 -16.728 -10.870 -21.236 1.00 1.00 O ATOM 0 H GLY A 82 -18.128 -14.527 -21.892 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -18.702 -12.316 -22.017 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -19.091 -12.285 -20.308 1.00 1.00 H new ATOM 1282 N PHE A 83 -16.159 -12.627 -19.952 1.00 1.00 N ATOM 1283 CA PHE A 83 -14.836 -12.092 -19.623 1.00 1.00 C ATOM 1284 C PHE A 83 -13.949 -12.130 -20.862 1.00 1.00 C ATOM 1285 O PHE A 83 -14.099 -13.004 -21.716 1.00 1.00 O ATOM 1286 CB PHE A 83 -14.206 -12.938 -18.493 1.00 1.00 C ATOM 1287 CG PHE A 83 -14.922 -12.667 -17.169 1.00 1.00 C ATOM 1288 CD1 PHE A 83 -14.477 -11.641 -16.320 1.00 1.00 C ATOM 1289 CD2 PHE A 83 -16.031 -13.437 -16.795 1.00 1.00 C ATOM 1290 CE1 PHE A 83 -15.138 -11.394 -15.111 1.00 1.00 C ATOM 1291 CE2 PHE A 83 -16.689 -13.189 -15.585 1.00 1.00 C ATOM 1292 CZ PHE A 83 -16.242 -12.168 -14.743 1.00 1.00 C ATOM 0 H PHE A 83 -16.364 -13.534 -19.534 1.00 1.00 H new ATOM 0 HA PHE A 83 -14.931 -11.060 -19.286 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -14.273 -13.997 -18.741 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -13.147 -12.700 -18.398 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -13.623 -11.041 -16.600 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -16.380 -14.226 -17.444 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -14.794 -10.603 -14.461 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -17.543 -13.787 -15.302 1.00 1.00 H new ATOM 0 HZ PHE A 83 -16.749 -11.977 -13.809 1.00 1.00 H new ATOM 1302 N THR A 84 -13.021 -11.166 -20.947 1.00 1.00 N ATOM 1303 CA THR A 84 -12.087 -11.063 -22.073 1.00 1.00 C ATOM 1304 C THR A 84 -10.677 -10.779 -21.543 1.00 1.00 C ATOM 1305 O THR A 84 -10.460 -9.765 -20.878 1.00 1.00 O ATOM 1306 CB THR A 84 -12.539 -9.910 -22.994 1.00 1.00 C ATOM 1307 OG1 THR A 84 -13.888 -10.131 -23.383 1.00 1.00 O ATOM 1308 CG2 THR A 84 -11.662 -9.839 -24.251 1.00 1.00 C ATOM 0 H THR A 84 -12.898 -10.441 -20.241 1.00 1.00 H new ATOM 0 HA THR A 84 -12.076 -11.998 -22.633 1.00 1.00 H new ATOM 0 HB THR A 84 -12.446 -8.970 -22.449 1.00 1.00 H new ATOM 0 HG1 THR A 84 -13.923 -10.332 -24.342 1.00 1.00 H new ATOM 0 HG21 THR A 84 -12.000 -9.019 -24.885 1.00 1.00 H new ATOM 0 HG22 THR A 84 -10.625 -9.671 -23.962 1.00 1.00 H new ATOM 0 HG23 THR A 84 -11.738 -10.777 -24.801 1.00 1.00 H new ATOM 1316 N CYS A 85 -9.723 -11.674 -21.852 1.00 1.00 N ATOM 1317 CA CYS A 85 -8.317 -11.518 -21.424 1.00 1.00 C ATOM 1318 C CYS A 85 -7.486 -11.135 -22.642 1.00 1.00 C ATOM 1319 O CYS A 85 -7.711 -11.697 -23.714 1.00 1.00 O ATOM 1320 CB CYS A 85 -7.809 -12.846 -20.841 1.00 1.00 C ATOM 1321 SG CYS A 85 -8.870 -13.344 -19.457 1.00 1.00 S ATOM 0 H CYS A 85 -9.899 -12.517 -22.399 1.00 1.00 H new ATOM 0 HA CYS A 85 -8.236 -10.745 -20.660 1.00 1.00 H new ATOM 0 HB2 CYS A 85 -7.811 -13.618 -21.611 1.00 1.00 H new ATOM 0 HB3 CYS A 85 -6.779 -12.736 -20.502 1.00 1.00 H new ATOM 0 HG CYS A 85 -9.570 -14.385 -19.799 1.00 1.00 H new ATOM 1327 N GLU A 86 -6.518 -10.207 -22.506 1.00 1.00 N ATOM 1328 CA GLU A 86 -5.666 -9.802 -23.648 1.00 1.00 C ATOM 1329 C GLU A 86 -4.290 -10.435 -23.483 1.00 1.00 C ATOM 1330 O GLU A 86 -3.774 -10.518 -22.369 1.00 1.00 O ATOM 1331 CB GLU A 86 -5.540 -8.266 -23.684 1.00 1.00 C ATOM 1332 CG GLU A 86 -4.741 -7.811 -24.921 1.00 1.00 C ATOM 1333 CD GLU A 86 -4.654 -6.283 -24.972 1.00 1.00 C ATOM 1334 OE1 GLU A 86 -4.932 -5.650 -23.964 1.00 1.00 O ATOM 1335 OE2 GLU A 86 -4.295 -5.768 -26.018 1.00 1.00 O ATOM 0 H GLU A 86 -6.306 -9.728 -21.631 1.00 1.00 H new ATOM 0 HA GLU A 86 -6.114 -10.138 -24.583 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -6.532 -7.816 -23.701 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -5.046 -7.916 -22.778 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -3.738 -8.237 -24.890 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -5.218 -8.184 -25.827 1.00 1.00 H new ATOM 1342 N ALA A 87 -3.700 -10.891 -24.591 1.00 1.00 N ATOM 1343 CA ALA A 87 -2.373 -11.530 -24.557 1.00 1.00 C ATOM 1344 C ALA A 87 -1.594 -11.179 -25.815 1.00 1.00 C ATOM 1345 O ALA A 87 -2.182 -10.955 -26.870 1.00 1.00 O ATOM 1346 CB ALA A 87 -2.538 -13.054 -24.461 1.00 1.00 C ATOM 0 H ALA A 87 -4.114 -10.832 -25.521 1.00 1.00 H new ATOM 0 HA ALA A 87 -1.825 -11.168 -23.687 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -1.556 -13.525 -24.436 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -3.084 -13.304 -23.551 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -3.092 -13.415 -25.328 1.00 1.00 H new ATOM 1352 N ASP A 88 -0.264 -11.149 -25.709 1.00 1.00 N ATOM 1353 CA ASP A 88 0.583 -10.842 -26.863 1.00 1.00 C ATOM 1354 C ASP A 88 2.029 -11.204 -26.535 1.00 1.00 C ATOM 1355 O ASP A 88 2.493 -10.965 -25.420 1.00 1.00 O ATOM 1356 CB ASP A 88 0.467 -9.346 -27.216 1.00 1.00 C ATOM 1357 CG ASP A 88 1.185 -9.041 -28.536 1.00 1.00 C ATOM 1358 OD1 ASP A 88 1.856 -9.921 -29.054 1.00 1.00 O ATOM 1359 OD2 ASP A 88 1.053 -7.925 -29.010 1.00 1.00 O ATOM 0 H ASP A 88 0.246 -11.332 -24.845 1.00 1.00 H new ATOM 0 HA ASP A 88 0.256 -11.425 -27.724 1.00 1.00 H new ATOM 0 HB2 ASP A 88 -0.584 -9.067 -27.295 1.00 1.00 H new ATOM 0 HB3 ASP A 88 0.897 -8.744 -26.415 1.00 1.00 H new ATOM 1364 N THR A 89 2.746 -11.779 -27.500 1.00 1.00 N ATOM 1365 CA THR A 89 4.146 -12.163 -27.287 1.00 1.00 C ATOM 1366 C THR A 89 5.051 -10.932 -27.334 1.00 1.00 C ATOM 1367 O THR A 89 6.175 -10.965 -26.835 1.00 1.00 O ATOM 1368 CB THR A 89 4.561 -13.194 -28.350 1.00 1.00 C ATOM 1369 OG1 THR A 89 3.621 -14.261 -28.348 1.00 1.00 O ATOM 1370 CG2 THR A 89 5.963 -13.751 -28.054 1.00 1.00 C ATOM 0 H THR A 89 2.386 -11.989 -28.431 1.00 1.00 H new ATOM 0 HA THR A 89 4.251 -12.614 -26.300 1.00 1.00 H new ATOM 0 HB THR A 89 4.582 -12.707 -29.325 1.00 1.00 H new ATOM 0 HG1 THR A 89 3.876 -14.923 -29.024 1.00 1.00 H new ATOM 0 HG21 THR A 89 6.235 -14.478 -28.819 1.00 1.00 H new ATOM 0 HG22 THR A 89 6.686 -12.936 -28.055 1.00 1.00 H new ATOM 0 HG23 THR A 89 5.964 -14.235 -27.077 1.00 1.00 H new ATOM 1378 N LEU A 90 4.552 -9.853 -27.944 1.00 1.00 N ATOM 1379 CA LEU A 90 5.307 -8.604 -28.067 1.00 1.00 C ATOM 1380 C LEU A 90 6.569 -8.830 -28.898 1.00 1.00 C ATOM 1381 O LEU A 90 7.443 -7.965 -28.972 1.00 1.00 O ATOM 1382 CB LEU A 90 5.666 -8.021 -26.678 1.00 1.00 C ATOM 1383 CG LEU A 90 4.402 -7.897 -25.784 1.00 1.00 C ATOM 1384 CD1 LEU A 90 4.815 -7.413 -24.380 1.00 1.00 C ATOM 1385 CD2 LEU A 90 3.375 -6.896 -26.388 1.00 1.00 C ATOM 0 H LEU A 90 3.622 -9.821 -28.363 1.00 1.00 H new ATOM 0 HA LEU A 90 4.675 -7.877 -28.576 1.00 1.00 H new ATOM 0 HB2 LEU A 90 6.400 -8.661 -26.189 1.00 1.00 H new ATOM 0 HB3 LEU A 90 6.128 -7.041 -26.799 1.00 1.00 H new ATOM 0 HG LEU A 90 3.930 -8.878 -25.725 1.00 1.00 H new ATOM 0 HD11 LEU A 90 3.930 -7.325 -23.750 1.00 1.00 H new ATOM 0 HD12 LEU A 90 5.506 -8.130 -23.937 1.00 1.00 H new ATOM 0 HD13 LEU A 90 5.302 -6.441 -24.459 1.00 1.00 H new ATOM 0 HD21 LEU A 90 2.503 -6.833 -25.738 1.00 1.00 H new ATOM 0 HD22 LEU A 90 3.835 -5.911 -26.475 1.00 1.00 H new ATOM 0 HD23 LEU A 90 3.068 -7.241 -27.375 1.00 1.00 H new ATOM 1397 N GLY A 91 6.649 -10.006 -29.526 1.00 1.00 N ATOM 1398 CA GLY A 91 7.797 -10.366 -30.363 1.00 1.00 C ATOM 1399 C GLY A 91 8.986 -10.751 -29.500 1.00 1.00 C ATOM 1400 O GLY A 91 10.115 -10.842 -29.984 1.00 1.00 O ATOM 0 H GLY A 91 5.930 -10.727 -29.470 1.00 1.00 H new ATOM 0 HA2 GLY A 91 7.531 -11.196 -31.017 1.00 1.00 H new ATOM 0 HA3 GLY A 91 8.063 -9.527 -31.005 1.00 1.00 H new ATOM 1404 N SER A 92 8.723 -10.969 -28.213 1.00 1.00 N ATOM 1405 CA SER A 92 9.770 -11.341 -27.267 1.00 1.00 C ATOM 1406 C SER A 92 10.400 -12.682 -27.664 1.00 1.00 C ATOM 1407 O SER A 92 10.557 -12.973 -28.849 1.00 1.00 O ATOM 1408 CB SER A 92 9.176 -11.424 -25.851 1.00 1.00 C ATOM 1409 OG SER A 92 8.335 -12.568 -25.763 1.00 1.00 O ATOM 0 H SER A 92 7.792 -10.894 -27.802 1.00 1.00 H new ATOM 0 HA SER A 92 10.552 -10.582 -27.282 1.00 1.00 H new ATOM 0 HB2 SER A 92 9.975 -11.487 -25.112 1.00 1.00 H new ATOM 0 HB3 SER A 92 8.607 -10.521 -25.629 1.00 1.00 H new ATOM 0 HG SER A 92 8.082 -12.717 -24.828 1.00 1.00 H new ATOM 1415 N CYS A 93 10.752 -13.499 -26.668 1.00 1.00 N ATOM 1416 CA CYS A 93 11.358 -14.800 -26.916 1.00 1.00 C ATOM 1417 C CYS A 93 11.440 -15.606 -25.616 1.00 1.00 C ATOM 1418 O CYS A 93 12.253 -15.309 -24.741 1.00 1.00 O ATOM 1419 CB CYS A 93 12.760 -14.619 -27.525 1.00 1.00 C ATOM 1420 SG CYS A 93 13.770 -13.594 -26.428 1.00 1.00 S ATOM 0 H CYS A 93 10.625 -13.277 -25.681 1.00 1.00 H new ATOM 0 HA CYS A 93 10.736 -15.350 -27.623 1.00 1.00 H new ATOM 0 HB2 CYS A 93 13.233 -15.590 -27.669 1.00 1.00 H new ATOM 0 HB3 CYS A 93 12.684 -14.152 -28.507 1.00 1.00 H new ATOM 0 HG CYS A 93 13.609 -13.985 -25.199 1.00 1.00 H new ATOM 1426 N GLY A 94 10.587 -16.633 -25.501 1.00 1.00 N ATOM 1427 CA GLY A 94 10.552 -17.495 -24.313 1.00 1.00 C ATOM 1428 C GLY A 94 9.797 -16.826 -23.167 1.00 1.00 C ATOM 1429 O GLY A 94 9.505 -17.465 -22.156 1.00 1.00 O ATOM 0 H GLY A 94 9.910 -16.887 -26.220 1.00 1.00 H new ATOM 0 HA2 GLY A 94 10.075 -18.443 -24.562 1.00 1.00 H new ATOM 0 HA3 GLY A 94 11.570 -17.724 -23.997 1.00 1.00 H new ATOM 1433 N TYR A 95 9.477 -15.532 -23.340 1.00 1.00 N ATOM 1434 CA TYR A 95 8.741 -14.743 -22.332 1.00 1.00 C ATOM 1435 C TYR A 95 7.372 -14.358 -22.884 1.00 1.00 C ATOM 1436 O TYR A 95 7.237 -14.048 -24.067 1.00 1.00 O ATOM 1437 CB TYR A 95 9.535 -13.464 -21.982 1.00 1.00 C ATOM 1438 CG TYR A 95 10.828 -13.849 -21.263 1.00 1.00 C ATOM 1439 CD1 TYR A 95 10.764 -14.331 -19.942 1.00 1.00 C ATOM 1440 CD2 TYR A 95 12.079 -13.742 -21.901 1.00 1.00 C ATOM 1441 CE1 TYR A 95 11.935 -14.700 -19.268 1.00 1.00 C ATOM 1442 CE2 TYR A 95 13.247 -14.114 -21.221 1.00 1.00 C ATOM 1443 CZ TYR A 95 13.175 -14.592 -19.906 1.00 1.00 C ATOM 1444 OH TYR A 95 14.327 -14.961 -19.241 1.00 1.00 O ATOM 0 H TYR A 95 9.719 -15.004 -24.178 1.00 1.00 H new ATOM 0 HA TYR A 95 8.615 -15.344 -21.431 1.00 1.00 H new ATOM 0 HB2 TYR A 95 9.763 -12.905 -22.889 1.00 1.00 H new ATOM 0 HB3 TYR A 95 8.934 -12.812 -21.348 1.00 1.00 H new ATOM 0 HD1 TYR A 95 9.808 -14.417 -19.446 1.00 1.00 H new ATOM 0 HD2 TYR A 95 12.138 -13.373 -22.914 1.00 1.00 H new ATOM 0 HE1 TYR A 95 11.880 -15.068 -18.254 1.00 1.00 H new ATOM 0 HE2 TYR A 95 14.205 -14.032 -21.712 1.00 1.00 H new ATOM 0 HH TYR A 95 15.101 -14.825 -19.827 1.00 1.00 H new ATOM 1454 N VAL A 96 6.361 -14.381 -22.014 1.00 1.00 N ATOM 1455 CA VAL A 96 4.983 -14.040 -22.385 1.00 1.00 C ATOM 1456 C VAL A 96 4.403 -13.106 -21.327 1.00 1.00 C ATOM 1457 O VAL A 96 4.584 -13.340 -20.132 1.00 1.00 O ATOM 1458 CB VAL A 96 4.144 -15.336 -22.473 1.00 1.00 C ATOM 1459 CG1 VAL A 96 2.719 -15.021 -22.973 1.00 1.00 C ATOM 1460 CG2 VAL A 96 4.824 -16.318 -23.448 1.00 1.00 C ATOM 0 H VAL A 96 6.472 -14.636 -21.033 1.00 1.00 H new ATOM 0 HA VAL A 96 4.965 -13.541 -23.354 1.00 1.00 H new ATOM 0 HB VAL A 96 4.078 -15.783 -21.481 1.00 1.00 H new ATOM 0 HG11 VAL A 96 2.141 -15.943 -23.030 1.00 1.00 H new ATOM 0 HG12 VAL A 96 2.235 -14.331 -22.282 1.00 1.00 H new ATOM 0 HG13 VAL A 96 2.773 -14.565 -23.962 1.00 1.00 H new ATOM 0 HG21 VAL A 96 4.235 -17.233 -23.513 1.00 1.00 H new ATOM 0 HG22 VAL A 96 4.894 -15.861 -24.435 1.00 1.00 H new ATOM 0 HG23 VAL A 96 5.825 -16.555 -23.087 1.00 1.00 H new ATOM 1470 N TYR A 97 3.694 -12.057 -21.767 1.00 1.00 N ATOM 1471 CA TYR A 97 3.062 -11.084 -20.853 1.00 1.00 C ATOM 1472 C TYR A 97 1.581 -10.995 -21.202 1.00 1.00 C ATOM 1473 O TYR A 97 1.216 -10.982 -22.377 1.00 1.00 O ATOM 1474 CB TYR A 97 3.741 -9.700 -20.990 1.00 1.00 C ATOM 1475 CG TYR A 97 5.255 -9.886 -20.952 1.00 1.00 C ATOM 1476 CD1 TYR A 97 5.945 -10.232 -22.127 1.00 1.00 C ATOM 1477 CD2 TYR A 97 5.971 -9.722 -19.752 1.00 1.00 C ATOM 1478 CE1 TYR A 97 7.333 -10.411 -22.102 1.00 1.00 C ATOM 1479 CE2 TYR A 97 7.361 -9.902 -19.733 1.00 1.00 C ATOM 1480 CZ TYR A 97 8.041 -10.246 -20.907 1.00 1.00 C ATOM 1481 OH TYR A 97 9.409 -10.424 -20.884 1.00 1.00 O ATOM 0 H TYR A 97 3.541 -11.857 -22.755 1.00 1.00 H new ATOM 0 HA TYR A 97 3.178 -11.409 -19.819 1.00 1.00 H new ATOM 0 HB2 TYR A 97 3.443 -9.225 -21.925 1.00 1.00 H new ATOM 0 HB3 TYR A 97 3.422 -9.042 -20.182 1.00 1.00 H new ATOM 0 HD1 TYR A 97 5.402 -10.360 -23.052 1.00 1.00 H new ATOM 0 HD2 TYR A 97 5.449 -9.457 -18.844 1.00 1.00 H new ATOM 0 HE1 TYR A 97 7.858 -10.677 -23.007 1.00 1.00 H new ATOM 0 HE2 TYR A 97 7.908 -9.775 -18.811 1.00 1.00 H new ATOM 0 HH TYR A 97 9.744 -10.270 -19.976 1.00 1.00 H new ATOM 1491 N ILE A 98 0.733 -10.938 -20.172 1.00 1.00 N ATOM 1492 CA ILE A 98 -0.719 -10.854 -20.360 1.00 1.00 C ATOM 1493 C ILE A 98 -1.309 -9.845 -19.392 1.00 1.00 C ATOM 1494 O ILE A 98 -0.665 -9.447 -18.420 1.00 1.00 O ATOM 1495 CB ILE A 98 -1.361 -12.249 -20.158 1.00 1.00 C ATOM 1496 CG1 ILE A 98 -1.085 -12.773 -18.721 1.00 1.00 C ATOM 1497 CG2 ILE A 98 -0.776 -13.241 -21.190 1.00 1.00 C ATOM 1498 CD1 ILE A 98 -1.812 -14.107 -18.484 1.00 1.00 C ATOM 0 H ILE A 98 1.028 -10.949 -19.196 1.00 1.00 H new ATOM 0 HA ILE A 98 -0.931 -10.522 -21.376 1.00 1.00 H new ATOM 0 HB ILE A 98 -2.438 -12.162 -20.299 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -0.013 -12.906 -18.576 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -1.417 -12.036 -17.989 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -1.228 -14.223 -21.048 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -0.990 -12.886 -22.198 1.00 1.00 H new ATOM 0 HG23 ILE A 98 0.303 -13.315 -21.053 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -1.607 -14.458 -17.473 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -2.885 -13.963 -18.608 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -1.460 -14.846 -19.203 1.00 1.00 H new ATOM 1510 N ALA A 99 -2.543 -9.451 -19.656 1.00 1.00 N ATOM 1511 CA ALA A 99 -3.253 -8.501 -18.805 1.00 1.00 C ATOM 1512 C ALA A 99 -4.753 -8.798 -18.873 1.00 1.00 C ATOM 1513 O ALA A 99 -5.417 -8.542 -19.880 1.00 1.00 O ATOM 1514 CB ALA A 99 -2.963 -7.060 -19.239 1.00 1.00 C ATOM 0 H ALA A 99 -3.081 -9.776 -20.459 1.00 1.00 H new ATOM 0 HA ALA A 99 -2.909 -8.609 -17.776 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.502 -6.369 -18.591 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -1.893 -6.866 -19.165 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.287 -6.918 -20.270 1.00 1.00 H new ATOM 1520 N VAL A 100 -5.269 -9.340 -17.760 1.00 1.00 N ATOM 1521 CA VAL A 100 -6.686 -9.681 -17.621 1.00 1.00 C ATOM 1522 C VAL A 100 -7.418 -8.492 -17.016 1.00 1.00 C ATOM 1523 O VAL A 100 -6.902 -7.840 -16.124 1.00 1.00 O ATOM 1524 CB VAL A 100 -6.866 -10.938 -16.710 1.00 1.00 C ATOM 1525 CG1 VAL A 100 -6.243 -10.717 -15.320 1.00 1.00 C ATOM 1526 CG2 VAL A 100 -8.375 -11.276 -16.550 1.00 1.00 C ATOM 0 H VAL A 100 -4.712 -9.553 -16.932 1.00 1.00 H new ATOM 0 HA VAL A 100 -7.098 -9.914 -18.603 1.00 1.00 H new ATOM 0 HB VAL A 100 -6.353 -11.770 -17.192 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -6.386 -11.610 -14.711 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -5.177 -10.517 -15.427 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -6.725 -9.867 -14.836 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -8.486 -12.154 -15.913 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -8.891 -10.430 -16.095 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -8.808 -11.481 -17.529 1.00 1.00 H new ATOM 1536 N TYR A 101 -8.620 -8.197 -17.511 1.00 1.00 N ATOM 1537 CA TYR A 101 -9.406 -7.068 -16.994 1.00 1.00 C ATOM 1538 C TYR A 101 -10.906 -7.408 -17.088 1.00 1.00 C ATOM 1539 O TYR A 101 -11.362 -7.823 -18.150 1.00 1.00 O ATOM 1540 CB TYR A 101 -9.109 -5.802 -17.817 1.00 1.00 C ATOM 1541 CG TYR A 101 -9.869 -4.624 -17.212 1.00 1.00 C ATOM 1542 CD1 TYR A 101 -9.289 -3.857 -16.189 1.00 1.00 C ATOM 1543 CD2 TYR A 101 -11.174 -4.328 -17.646 1.00 1.00 C ATOM 1544 CE1 TYR A 101 -10.007 -2.806 -15.605 1.00 1.00 C ATOM 1545 CE2 TYR A 101 -11.885 -3.273 -17.064 1.00 1.00 C ATOM 1546 CZ TYR A 101 -11.303 -2.514 -16.044 1.00 1.00 C ATOM 1547 OH TYR A 101 -12.014 -1.484 -15.462 1.00 1.00 O ATOM 0 H TYR A 101 -9.071 -8.717 -18.263 1.00 1.00 H new ATOM 0 HA TYR A 101 -9.136 -6.886 -15.954 1.00 1.00 H new ATOM 0 HB2 TYR A 101 -8.038 -5.598 -17.819 1.00 1.00 H new ATOM 0 HB3 TYR A 101 -9.408 -5.949 -18.855 1.00 1.00 H new ATOM 0 HD1 TYR A 101 -8.287 -4.078 -15.852 1.00 1.00 H new ATOM 0 HD2 TYR A 101 -11.628 -4.916 -18.430 1.00 1.00 H new ATOM 0 HE1 TYR A 101 -9.560 -2.220 -14.815 1.00 1.00 H new ATOM 0 HE2 TYR A 101 -12.885 -3.045 -17.403 1.00 1.00 H new ATOM 0 HH TYR A 101 -12.895 -1.415 -15.885 1.00 1.00 H new ATOM 1557 N PRO A 102 -11.699 -7.263 -16.031 1.00 1.00 N ATOM 1558 CA PRO A 102 -13.160 -7.599 -16.105 1.00 1.00 C ATOM 1559 C PRO A 102 -13.935 -6.578 -16.950 1.00 1.00 C ATOM 1560 O PRO A 102 -13.650 -5.382 -16.913 1.00 1.00 O ATOM 1561 CB PRO A 102 -13.600 -7.604 -14.618 1.00 1.00 C ATOM 1562 CG PRO A 102 -12.695 -6.601 -13.961 1.00 1.00 C ATOM 1563 CD PRO A 102 -11.334 -6.770 -14.670 1.00 1.00 C ATOM 0 HA PRO A 102 -13.359 -8.551 -16.597 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -14.648 -7.324 -14.512 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -13.488 -8.593 -14.173 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -13.078 -5.587 -14.078 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -12.609 -6.788 -12.891 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -10.789 -5.827 -14.719 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -10.695 -7.481 -14.145 1.00 1.00 H new ATOM 1571 N THR A 103 -14.930 -7.068 -17.698 1.00 1.00 N ATOM 1572 CA THR A 103 -15.776 -6.208 -18.540 1.00 1.00 C ATOM 1573 C THR A 103 -16.946 -5.676 -17.717 1.00 1.00 C ATOM 1574 O THR A 103 -17.440 -6.353 -16.814 1.00 1.00 O ATOM 1575 CB THR A 103 -16.330 -7.008 -19.739 1.00 1.00 C ATOM 1576 OG1 THR A 103 -17.371 -6.262 -20.358 1.00 1.00 O ATOM 1577 CG2 THR A 103 -16.888 -8.360 -19.275 1.00 1.00 C ATOM 0 H THR A 103 -15.171 -8.058 -17.739 1.00 1.00 H new ATOM 0 HA THR A 103 -15.171 -5.379 -18.908 1.00 1.00 H new ATOM 0 HB THR A 103 -15.520 -7.185 -20.447 1.00 1.00 H new ATOM 0 HG1 THR A 103 -17.725 -6.765 -21.121 1.00 1.00 H new ATOM 0 HG21 THR A 103 -17.274 -8.909 -20.134 1.00 1.00 H new ATOM 0 HG22 THR A 103 -16.094 -8.938 -18.802 1.00 1.00 H new ATOM 0 HG23 THR A 103 -17.693 -8.195 -18.559 1.00 1.00 H new ATOM 1585 N GLN A 104 -17.388 -4.459 -18.032 1.00 1.00 N ATOM 1586 CA GLN A 104 -18.503 -3.841 -17.314 1.00 1.00 C ATOM 1587 C GLN A 104 -19.821 -4.523 -17.694 1.00 1.00 C ATOM 1588 O GLN A 104 -20.301 -4.370 -18.817 1.00 1.00 O ATOM 1589 CB GLN A 104 -18.574 -2.348 -17.674 1.00 1.00 C ATOM 1590 CG GLN A 104 -17.287 -1.641 -17.223 1.00 1.00 C ATOM 1591 CD GLN A 104 -17.351 -0.159 -17.578 1.00 1.00 C ATOM 1592 OE1 GLN A 104 -18.329 0.515 -17.258 1.00 1.00 O ATOM 1593 NE2 GLN A 104 -16.363 0.390 -18.230 1.00 1.00 N ATOM 0 H GLN A 104 -16.994 -3.883 -18.776 1.00 1.00 H new ATOM 0 HA GLN A 104 -18.344 -3.955 -16.242 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -18.707 -2.230 -18.749 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -19.439 -1.890 -17.194 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -17.155 -1.760 -16.148 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -16.423 -2.101 -17.703 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -15.553 -0.170 -18.495 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -16.401 1.379 -18.475 1.00 1.00 H new