USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 512 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 50 GLN : amide:sc= -4.26! C(o=-5.8!,f=-8.5!) USER MOD Set 1.2: A 81 THR OG1 : rot -178:sc= -0.874! USER MOD Set 1.3: A 103 GLN : amide:sc= -0.672 X(o=-5.8,f=-5.9) USER MOD Single : A 10 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.8!) USER MOD Single : A 29 SER OG : rot 93:sc= 1.24 USER MOD Single : A 47 TYR OH : rot 0:sc= -2.7! USER MOD Single : A 48 GLN : amide:sc= -1.36 K(o=-1.4,f=-5.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.026) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 36:sc= 0.274 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -3.01! C(o=-3!,f=-2.7!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot -60:sc= -0.134 USER MOD Single : A 83 GLN : amide:sc= -1.27 K(o=-1.3,f=-2!) USER MOD Single : A 84 MET CE :methyl 163:sc= -1.93 (180deg=-2.99!) USER MOD Single : A 99 SER OG : rot 150:sc= -0.579 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N GLN A 10 -8.984 -9.454 -7.915 1.00 0.00 N ATOM 131 CA GLN A 10 -9.636 -9.609 -9.242 1.00 0.00 C ATOM 132 C GLN A 10 -11.111 -9.948 -9.031 1.00 0.00 C ATOM 133 O GLN A 10 -11.606 -9.944 -7.919 1.00 0.00 O ATOM 134 CB GLN A 10 -8.958 -10.741 -10.019 1.00 0.00 C ATOM 135 CG GLN A 10 -7.451 -10.482 -10.107 1.00 0.00 C ATOM 136 CD GLN A 10 -7.134 -9.761 -11.417 1.00 0.00 C ATOM 137 OE1 GLN A 10 -7.776 -9.995 -12.422 1.00 0.00 O ATOM 138 NE2 GLN A 10 -6.165 -8.887 -11.451 1.00 0.00 N ATOM 0 HA GLN A 10 -9.545 -8.682 -9.808 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.144 -11.695 -9.525 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.383 -10.812 -11.020 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.125 -9.879 -9.259 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.906 -11.424 -10.057 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.626 -8.690 -10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.947 -8.401 -12.321 1.00 0.00 H new ATOM 147 N ALA A 11 -11.814 -10.250 -10.084 1.00 0.00 N ATOM 148 CA ALA A 11 -13.252 -10.595 -9.935 1.00 0.00 C ATOM 149 C ALA A 11 -13.385 -12.101 -9.709 1.00 0.00 C ATOM 150 O ALA A 11 -12.444 -12.765 -9.322 1.00 0.00 O ATOM 151 CB ALA A 11 -14.010 -10.195 -11.202 1.00 0.00 C ATOM 0 H ALA A 11 -11.456 -10.273 -11.039 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.672 -10.059 -9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.064 -10.449 -11.091 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.910 -9.121 -11.362 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.597 -10.729 -12.057 1.00 0.00 H new ATOM 157 N LEU A 12 -14.544 -12.644 -9.938 1.00 0.00 N ATOM 158 CA LEU A 12 -14.733 -14.104 -9.725 1.00 0.00 C ATOM 159 C LEU A 12 -15.246 -14.750 -11.012 1.00 0.00 C ATOM 160 O LEU A 12 -15.672 -14.076 -11.928 1.00 0.00 O ATOM 161 CB LEU A 12 -15.754 -14.314 -8.610 1.00 0.00 C ATOM 162 CG LEU A 12 -15.398 -15.566 -7.810 1.00 0.00 C ATOM 163 CD1 LEU A 12 -14.970 -15.161 -6.399 1.00 0.00 C ATOM 164 CD2 LEU A 12 -16.624 -16.479 -7.732 1.00 0.00 C ATOM 0 H LEU A 12 -15.370 -12.141 -10.264 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.782 -14.560 -9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.772 -13.445 -7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -16.753 -14.414 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 12 -14.580 -16.095 -8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.715 -16.053 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.101 -14.506 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.788 -14.635 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.375 -17.374 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.440 -15.951 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -16.931 -16.763 -8.739 1.00 0.00 H new ATOM 176 N ASP A 13 -15.213 -16.054 -11.090 1.00 0.00 N ATOM 177 CA ASP A 13 -15.704 -16.740 -12.318 1.00 0.00 C ATOM 178 C ASP A 13 -17.233 -16.766 -12.307 1.00 0.00 C ATOM 179 O ASP A 13 -17.846 -17.514 -11.571 1.00 0.00 O ATOM 180 CB ASP A 13 -15.169 -18.175 -12.350 1.00 0.00 C ATOM 181 CG ASP A 13 -13.723 -18.170 -12.850 1.00 0.00 C ATOM 182 OD1 ASP A 13 -13.370 -17.254 -13.575 1.00 0.00 O ATOM 183 OD2 ASP A 13 -12.993 -19.082 -12.499 1.00 0.00 O ATOM 0 H ASP A 13 -14.867 -16.672 -10.356 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.355 -16.203 -13.200 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.219 -18.615 -11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.788 -18.791 -13.002 1.00 0.00 H new ATOM 338 N CYS A 25 -26.023 -11.268 -9.798 1.00 0.00 N ATOM 339 CA CYS A 25 -25.114 -10.649 -8.790 1.00 0.00 C ATOM 340 C CYS A 25 -23.669 -10.677 -9.295 1.00 0.00 C ATOM 341 O CYS A 25 -23.396 -11.038 -10.423 1.00 0.00 O ATOM 342 CB CYS A 25 -25.201 -11.433 -7.478 1.00 0.00 C ATOM 343 SG CYS A 25 -26.868 -11.292 -6.787 1.00 0.00 S ATOM 0 HA CYS A 25 -25.418 -9.615 -8.628 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -24.958 -12.481 -7.653 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -24.469 -11.051 -6.766 1.00 0.00 H new ATOM 348 N LEU A 26 -22.742 -10.293 -8.460 1.00 0.00 N ATOM 349 CA LEU A 26 -21.307 -10.286 -8.864 1.00 0.00 C ATOM 350 C LEU A 26 -20.473 -10.985 -7.787 1.00 0.00 C ATOM 351 O LEU A 26 -20.929 -11.201 -6.681 1.00 0.00 O ATOM 352 CB LEU A 26 -20.827 -8.840 -9.008 1.00 0.00 C ATOM 353 CG LEU A 26 -20.607 -8.516 -10.485 1.00 0.00 C ATOM 354 CD1 LEU A 26 -19.970 -7.133 -10.612 1.00 0.00 C ATOM 355 CD2 LEU A 26 -19.678 -9.563 -11.102 1.00 0.00 C ATOM 0 H LEU A 26 -22.920 -9.981 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 26 -21.195 -10.808 -9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.563 -8.158 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.900 -8.697 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 26 -21.564 -8.525 -11.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.812 -6.900 -11.665 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.630 -6.386 -10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.012 -7.124 -10.091 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.520 -9.333 -12.156 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.721 -9.552 -10.581 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -20.130 -10.550 -11.010 1.00 0.00 H new ATOM 367 N TRP A 27 -19.251 -11.333 -8.096 1.00 0.00 N ATOM 368 CA TRP A 27 -18.390 -12.010 -7.085 1.00 0.00 C ATOM 369 C TRP A 27 -16.960 -11.469 -7.193 1.00 0.00 C ATOM 370 O TRP A 27 -16.366 -11.468 -8.253 1.00 0.00 O ATOM 371 CB TRP A 27 -18.386 -13.517 -7.345 1.00 0.00 C ATOM 372 CG TRP A 27 -19.680 -14.111 -6.896 1.00 0.00 C ATOM 373 CD1 TRP A 27 -19.857 -14.806 -5.752 1.00 0.00 C ATOM 374 CD2 TRP A 27 -20.974 -14.081 -7.561 1.00 0.00 C ATOM 375 NE1 TRP A 27 -21.179 -15.202 -5.668 1.00 0.00 N ATOM 376 CE2 TRP A 27 -21.909 -14.778 -6.761 1.00 0.00 C ATOM 377 CE3 TRP A 27 -21.424 -13.520 -8.769 1.00 0.00 C ATOM 378 CZ2 TRP A 27 -23.243 -14.914 -7.146 1.00 0.00 C ATOM 379 CZ3 TRP A 27 -22.765 -13.655 -9.161 1.00 0.00 C ATOM 380 CH2 TRP A 27 -23.673 -14.352 -8.351 1.00 0.00 C ATOM 0 H TRP A 27 -18.814 -11.177 -9.004 1.00 0.00 H new ATOM 0 HA TRP A 27 -18.779 -11.816 -6.086 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -18.235 -13.712 -8.407 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.557 -13.985 -6.814 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.090 -15.018 -5.021 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -21.567 -15.741 -4.894 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -20.733 -12.981 -9.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -23.939 -15.450 -6.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -23.099 -13.220 -10.091 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -24.703 -14.454 -8.658 1.00 0.00 H new ATOM 391 N LEU A 28 -16.405 -11.001 -6.106 1.00 0.00 N ATOM 392 CA LEU A 28 -15.009 -10.452 -6.152 1.00 0.00 C ATOM 393 C LEU A 28 -14.096 -11.276 -5.237 1.00 0.00 C ATOM 394 O LEU A 28 -14.506 -12.267 -4.670 1.00 0.00 O ATOM 395 CB LEU A 28 -15.009 -8.995 -5.676 1.00 0.00 C ATOM 396 CG LEU A 28 -16.366 -8.351 -5.968 1.00 0.00 C ATOM 397 CD1 LEU A 28 -16.460 -7.011 -5.233 1.00 0.00 C ATOM 398 CD2 LEU A 28 -16.503 -8.123 -7.474 1.00 0.00 C ATOM 0 H LEU A 28 -16.852 -10.973 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.643 -10.504 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.799 -8.953 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.217 -8.439 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 28 -17.166 -9.007 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -17.426 -6.550 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.359 -7.176 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.663 -6.351 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -17.469 -7.664 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.705 -7.464 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.433 -9.078 -7.994 1.00 0.00 H new ATOM 410 N SER A 29 -12.858 -10.870 -5.086 1.00 0.00 N ATOM 411 CA SER A 29 -11.927 -11.634 -4.200 1.00 0.00 C ATOM 412 C SER A 29 -10.520 -11.021 -4.255 1.00 0.00 C ATOM 413 O SER A 29 -9.963 -10.819 -5.316 1.00 0.00 O ATOM 414 CB SER A 29 -11.866 -13.088 -4.659 1.00 0.00 C ATOM 415 OG SER A 29 -10.970 -13.813 -3.824 1.00 0.00 O ATOM 0 H SER A 29 -12.455 -10.048 -5.535 1.00 0.00 H new ATOM 0 HA SER A 29 -12.295 -11.587 -3.175 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.859 -13.535 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.535 -13.139 -5.696 1.00 0.00 H new ATOM 0 HG SER A 29 -11.469 -14.225 -3.088 1.00 0.00 H new ATOM 421 N TRP A 30 -9.936 -10.734 -3.114 1.00 0.00 N ATOM 422 CA TRP A 30 -8.560 -10.148 -3.103 1.00 0.00 C ATOM 423 C TRP A 30 -7.802 -10.616 -1.856 1.00 0.00 C ATOM 424 O TRP A 30 -8.371 -11.178 -0.941 1.00 0.00 O ATOM 425 CB TRP A 30 -8.637 -8.617 -3.095 1.00 0.00 C ATOM 426 CG TRP A 30 -9.347 -8.137 -1.868 1.00 0.00 C ATOM 427 CD1 TRP A 30 -8.786 -7.993 -0.643 1.00 0.00 C ATOM 428 CD2 TRP A 30 -10.734 -7.720 -1.730 1.00 0.00 C ATOM 429 NE1 TRP A 30 -9.745 -7.518 0.235 1.00 0.00 N ATOM 430 CE2 TRP A 30 -10.960 -7.335 -0.387 1.00 0.00 C ATOM 431 CE3 TRP A 30 -11.810 -7.642 -2.633 1.00 0.00 C ATOM 432 CZ2 TRP A 30 -12.207 -6.887 0.043 1.00 0.00 C ATOM 433 CZ3 TRP A 30 -13.066 -7.192 -2.202 1.00 0.00 C ATOM 434 CH2 TRP A 30 -13.264 -6.816 -0.866 1.00 0.00 C ATOM 0 H TRP A 30 -10.352 -10.880 -2.194 1.00 0.00 H new ATOM 0 HA TRP A 30 -8.035 -10.481 -3.999 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -7.632 -8.196 -3.130 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -9.160 -8.268 -3.985 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -7.759 -8.213 -0.393 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -9.573 -7.327 1.222 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -11.668 -7.930 -3.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -12.355 -6.597 1.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -13.886 -7.135 -2.903 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -14.234 -6.471 -0.540 1.00 0.00 H new ATOM 652 N CYS A 43 -10.534 -1.951 4.948 1.00 0.00 N ATOM 653 CA CYS A 43 -10.448 -1.575 3.508 1.00 0.00 C ATOM 654 C CYS A 43 -11.846 -1.356 2.929 1.00 0.00 C ATOM 655 O CYS A 43 -12.831 -1.848 3.440 1.00 0.00 O ATOM 656 CB CYS A 43 -9.744 -2.693 2.736 1.00 0.00 C ATOM 657 SG CYS A 43 -8.488 -1.973 1.648 1.00 0.00 S ATOM 0 HA CYS A 43 -9.883 -0.648 3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.281 -3.394 3.431 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.469 -3.257 2.149 1.00 0.00 H new ATOM 662 N GLU A 44 -11.928 -0.619 1.857 1.00 0.00 N ATOM 663 CA GLU A 44 -13.244 -0.354 1.217 1.00 0.00 C ATOM 664 C GLU A 44 -13.143 -0.701 -0.270 1.00 0.00 C ATOM 665 O GLU A 44 -12.097 -0.569 -0.873 1.00 0.00 O ATOM 666 CB GLU A 44 -13.592 1.127 1.373 1.00 0.00 C ATOM 667 CG GLU A 44 -12.408 1.976 0.904 1.00 0.00 C ATOM 668 CD GLU A 44 -12.877 3.410 0.649 1.00 0.00 C ATOM 669 OE1 GLU A 44 -13.069 4.130 1.614 1.00 0.00 O ATOM 670 OE2 GLU A 44 -13.035 3.763 -0.508 1.00 0.00 O ATOM 0 H GLU A 44 -11.130 -0.185 1.393 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.019 -0.958 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.481 1.367 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.825 1.350 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.620 1.968 1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.982 1.554 -0.006 1.00 0.00 H new ATOM 677 N LEU A 45 -14.213 -1.145 -0.866 1.00 0.00 N ATOM 678 CA LEU A 45 -14.164 -1.502 -2.313 1.00 0.00 C ATOM 679 C LEU A 45 -14.950 -0.468 -3.117 1.00 0.00 C ATOM 680 O LEU A 45 -15.976 0.016 -2.689 1.00 0.00 O ATOM 681 CB LEU A 45 -14.792 -2.887 -2.514 1.00 0.00 C ATOM 682 CG LEU A 45 -14.990 -3.154 -4.008 1.00 0.00 C ATOM 683 CD1 LEU A 45 -13.640 -3.461 -4.658 1.00 0.00 C ATOM 684 CD2 LEU A 45 -15.930 -4.345 -4.196 1.00 0.00 C ATOM 0 H LEU A 45 -15.119 -1.277 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.128 -1.517 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -14.150 -3.654 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.749 -2.941 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.425 -2.272 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.783 -3.651 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -12.972 -2.610 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -13.202 -4.341 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.070 -4.534 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -15.498 -5.228 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.894 -4.124 -3.737 1.00 0.00 H new ATOM 696 N ARG A 46 -14.478 -0.129 -4.283 1.00 0.00 N ATOM 697 CA ARG A 46 -15.201 0.872 -5.116 1.00 0.00 C ATOM 698 C ARG A 46 -15.744 0.192 -6.370 1.00 0.00 C ATOM 699 O ARG A 46 -15.097 -0.650 -6.958 1.00 0.00 O ATOM 700 CB ARG A 46 -14.231 1.977 -5.532 1.00 0.00 C ATOM 701 CG ARG A 46 -14.888 3.345 -5.339 1.00 0.00 C ATOM 702 CD ARG A 46 -14.176 4.374 -6.219 1.00 0.00 C ATOM 703 NE ARG A 46 -15.007 5.607 -6.321 1.00 0.00 N ATOM 704 CZ ARG A 46 -14.476 6.772 -6.066 1.00 0.00 C ATOM 705 NH1 ARG A 46 -13.246 7.019 -6.424 1.00 0.00 N ATOM 706 NH2 ARG A 46 -15.175 7.690 -5.455 1.00 0.00 N ATOM 0 H ARG A 46 -13.623 -0.501 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 46 -16.024 1.296 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.319 1.915 -4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.942 1.846 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -15.945 3.294 -5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.833 3.644 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.200 4.615 -5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.000 3.959 -7.211 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.989 5.541 -6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.700 6.302 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.830 7.929 -6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.137 7.497 -5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.759 8.600 -5.256 1.00 0.00 H new ATOM 720 N TYR A 47 -16.923 0.553 -6.794 1.00 0.00 N ATOM 721 CA TYR A 47 -17.484 -0.073 -8.021 1.00 0.00 C ATOM 722 C TYR A 47 -18.538 0.851 -8.631 1.00 0.00 C ATOM 723 O TYR A 47 -19.589 1.082 -8.067 1.00 0.00 O ATOM 724 CB TYR A 47 -18.103 -1.433 -7.679 1.00 0.00 C ATOM 725 CG TYR A 47 -19.436 -1.239 -6.999 1.00 0.00 C ATOM 726 CD1 TYR A 47 -19.493 -1.060 -5.612 1.00 0.00 C ATOM 727 CD2 TYR A 47 -20.615 -1.243 -7.754 1.00 0.00 C ATOM 728 CE1 TYR A 47 -20.728 -0.884 -4.980 1.00 0.00 C ATOM 729 CE2 TYR A 47 -21.851 -1.065 -7.123 1.00 0.00 C ATOM 730 CZ TYR A 47 -21.908 -0.886 -5.736 1.00 0.00 C ATOM 731 OH TYR A 47 -23.127 -0.711 -5.112 1.00 0.00 O ATOM 0 H TYR A 47 -17.518 1.250 -6.347 1.00 0.00 H new ATOM 0 HA TYR A 47 -16.684 -0.227 -8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -18.231 -2.022 -8.587 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -17.432 -1.994 -7.028 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -18.583 -1.058 -5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -20.570 -1.384 -8.824 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -20.772 -0.747 -3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -22.760 -1.066 -7.706 1.00 0.00 H new ATOM 0 HH TYR A 47 -22.988 -0.601 -4.148 1.00 0.00 H new ATOM 741 N GLN A 48 -18.257 1.385 -9.786 1.00 0.00 N ATOM 742 CA GLN A 48 -19.229 2.294 -10.448 1.00 0.00 C ATOM 743 C GLN A 48 -19.727 1.631 -11.729 1.00 0.00 C ATOM 744 O GLN A 48 -19.054 0.797 -12.287 1.00 0.00 O ATOM 745 CB GLN A 48 -18.535 3.610 -10.797 1.00 0.00 C ATOM 746 CG GLN A 48 -17.528 3.374 -11.923 1.00 0.00 C ATOM 747 CD GLN A 48 -17.891 4.247 -13.126 1.00 0.00 C ATOM 748 OE1 GLN A 48 -19.053 4.457 -13.411 1.00 0.00 O ATOM 749 NE2 GLN A 48 -16.938 4.768 -13.852 1.00 0.00 N ATOM 0 H GLN A 48 -17.391 1.229 -10.302 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.067 2.492 -9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -19.272 4.352 -11.104 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -18.027 4.010 -9.919 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -16.521 3.611 -11.580 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -17.528 2.323 -12.210 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.962 4.593 -13.614 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.170 5.350 -14.657 1.00 0.00 H new ATOM 758 N PRO A 49 -20.893 2.020 -12.161 1.00 0.00 N ATOM 759 CA PRO A 49 -21.495 1.474 -13.385 1.00 0.00 C ATOM 760 C PRO A 49 -20.861 2.128 -14.616 1.00 0.00 C ATOM 761 O PRO A 49 -21.102 3.280 -14.913 1.00 0.00 O ATOM 762 CB PRO A 49 -22.975 1.848 -13.251 1.00 0.00 C ATOM 763 CG PRO A 49 -23.037 3.046 -12.274 1.00 0.00 C ATOM 764 CD PRO A 49 -21.720 3.034 -11.475 1.00 0.00 C ATOM 0 HA PRO A 49 -21.349 0.401 -13.505 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -23.397 2.115 -14.220 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -23.555 1.007 -12.871 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -23.151 3.984 -12.818 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -23.895 2.958 -11.607 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -21.240 4.012 -11.483 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -21.889 2.771 -10.431 1.00 0.00 H new ATOM 772 N GLN A 50 -20.044 1.400 -15.329 1.00 0.00 N ATOM 773 CA GLN A 50 -19.386 1.980 -16.532 1.00 0.00 C ATOM 774 C GLN A 50 -20.384 2.043 -17.691 1.00 0.00 C ATOM 775 O GLN A 50 -20.825 1.030 -18.210 1.00 0.00 O ATOM 776 CB GLN A 50 -18.184 1.118 -16.932 1.00 0.00 C ATOM 777 CG GLN A 50 -17.081 2.016 -17.500 1.00 0.00 C ATOM 778 CD GLN A 50 -15.762 1.242 -17.552 1.00 0.00 C ATOM 779 OE1 GLN A 50 -14.751 1.705 -17.065 1.00 0.00 O ATOM 780 NE2 GLN A 50 -15.729 0.074 -18.134 1.00 0.00 N ATOM 0 H GLN A 50 -19.805 0.429 -15.129 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.043 2.988 -16.299 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.812 0.569 -16.067 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -18.484 0.378 -17.674 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.354 2.356 -18.499 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -16.968 2.906 -16.880 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.578 -0.316 -18.543 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.854 -0.449 -18.179 1.00 0.00 H new ATOM 789 N LEU A 51 -20.732 3.234 -18.098 1.00 0.00 N ATOM 790 CA LEU A 51 -21.689 3.412 -19.225 1.00 0.00 C ATOM 791 C LEU A 51 -21.735 4.895 -19.596 1.00 0.00 C ATOM 792 O LEU A 51 -20.798 5.632 -19.357 1.00 0.00 O ATOM 793 CB LEU A 51 -23.088 2.949 -18.802 1.00 0.00 C ATOM 794 CG LEU A 51 -23.637 3.883 -17.721 1.00 0.00 C ATOM 795 CD1 LEU A 51 -24.982 4.455 -18.172 1.00 0.00 C ATOM 796 CD2 LEU A 51 -23.837 3.099 -16.422 1.00 0.00 C ATOM 0 H LEU A 51 -20.388 4.103 -17.690 1.00 0.00 H new ATOM 0 HA LEU A 51 -21.364 2.819 -20.080 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -23.755 2.943 -19.664 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -23.045 1.927 -18.425 1.00 0.00 H new ATOM 0 HG LEU A 51 -22.930 4.696 -17.556 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -25.372 5.120 -17.401 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -24.848 5.013 -19.099 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -25.687 3.640 -18.338 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -24.228 3.764 -15.652 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -24.543 2.287 -16.592 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -22.882 2.687 -16.095 1.00 0.00 H new ATOM 808 N LYS A 52 -22.813 5.343 -20.171 1.00 0.00 N ATOM 809 CA LYS A 52 -22.908 6.780 -20.546 1.00 0.00 C ATOM 810 C LYS A 52 -22.805 7.643 -19.283 1.00 0.00 C ATOM 811 O LYS A 52 -21.972 8.521 -19.187 1.00 0.00 O ATOM 812 CB LYS A 52 -24.247 7.040 -21.239 1.00 0.00 C ATOM 813 CG LYS A 52 -24.002 7.769 -22.562 1.00 0.00 C ATOM 814 CD LYS A 52 -23.548 9.202 -22.276 1.00 0.00 C ATOM 815 CE LYS A 52 -24.773 10.104 -22.114 1.00 0.00 C ATOM 816 NZ LYS A 52 -25.270 10.518 -23.458 1.00 0.00 N ATOM 0 H LYS A 52 -23.632 4.778 -20.398 1.00 0.00 H new ATOM 0 HA LYS A 52 -22.095 7.034 -21.226 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -24.764 6.098 -21.421 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -24.892 7.638 -20.595 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -23.244 7.245 -23.144 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -24.913 7.777 -23.160 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -22.942 9.229 -21.371 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -22.921 9.565 -23.090 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -25.557 9.576 -21.572 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -24.514 10.983 -21.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -26.103 11.131 -23.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -24.522 11.038 -23.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -25.532 9.674 -24.006 1.00 0.00 H new ATOM 830 N GLY A 53 -23.646 7.399 -18.312 1.00 0.00 N ATOM 831 CA GLY A 53 -23.593 8.208 -17.057 1.00 0.00 C ATOM 832 C GLY A 53 -23.127 7.326 -15.894 1.00 0.00 C ATOM 833 O GLY A 53 -22.965 6.131 -16.035 1.00 0.00 O ATOM 0 H GLY A 53 -24.366 6.677 -18.333 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.912 9.049 -17.184 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.577 8.624 -16.839 1.00 0.00 H new ATOM 837 N ALA A 54 -22.910 7.904 -14.741 1.00 0.00 N ATOM 838 CA ALA A 54 -22.456 7.090 -13.576 1.00 0.00 C ATOM 839 C ALA A 54 -22.285 7.986 -12.346 1.00 0.00 C ATOM 840 O ALA A 54 -21.922 9.140 -12.451 1.00 0.00 O ATOM 841 CB ALA A 54 -21.116 6.431 -13.908 1.00 0.00 C ATOM 0 H ALA A 54 -23.027 8.900 -14.557 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.203 6.325 -13.363 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -20.783 5.836 -13.058 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -21.234 5.786 -14.779 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -20.376 7.201 -14.124 1.00 0.00 H new ATOM 847 N ASN A 55 -22.538 7.456 -11.177 1.00 0.00 N ATOM 848 CA ASN A 55 -22.385 8.269 -9.937 1.00 0.00 C ATOM 849 C ASN A 55 -21.307 7.644 -9.044 1.00 0.00 C ATOM 850 O ASN A 55 -20.970 8.171 -8.002 1.00 0.00 O ATOM 851 CB ASN A 55 -23.715 8.304 -9.179 1.00 0.00 C ATOM 852 CG ASN A 55 -24.862 8.553 -10.161 1.00 0.00 C ATOM 853 OD1 ASN A 55 -25.677 7.683 -10.393 1.00 0.00 O ATOM 854 ND2 ASN A 55 -24.962 9.714 -10.750 1.00 0.00 N ATOM 0 H ASN A 55 -22.844 6.494 -11.029 1.00 0.00 H new ATOM 0 HA ASN A 55 -22.092 9.284 -10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -23.871 7.361 -8.655 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -23.693 9.089 -8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -25.724 9.890 -11.405 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -24.278 10.445 -10.556 1.00 0.00 H new ATOM 861 N TRP A 56 -20.763 6.525 -9.444 1.00 0.00 N ATOM 862 CA TRP A 56 -19.705 5.865 -8.622 1.00 0.00 C ATOM 863 C TRP A 56 -20.275 5.446 -7.266 1.00 0.00 C ATOM 864 O TRP A 56 -20.723 6.266 -6.489 1.00 0.00 O ATOM 865 CB TRP A 56 -18.537 6.830 -8.407 1.00 0.00 C ATOM 866 CG TRP A 56 -17.637 6.805 -9.600 1.00 0.00 C ATOM 867 CD1 TRP A 56 -17.716 7.657 -10.647 1.00 0.00 C ATOM 868 CD2 TRP A 56 -16.527 5.903 -9.889 1.00 0.00 C ATOM 869 NE1 TRP A 56 -16.725 7.340 -11.558 1.00 0.00 N ATOM 870 CE2 TRP A 56 -15.967 6.266 -11.136 1.00 0.00 C ATOM 871 CE3 TRP A 56 -15.958 4.819 -9.196 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -14.880 5.578 -11.678 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -14.864 4.124 -9.740 1.00 0.00 C ATOM 874 CH2 TRP A 56 -14.327 4.504 -10.977 1.00 0.00 C ATOM 0 H TRP A 56 -21.006 6.038 -10.307 1.00 0.00 H new ATOM 0 HA TRP A 56 -19.353 4.979 -9.151 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -18.913 7.840 -8.244 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -17.980 6.549 -7.513 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -18.436 8.455 -10.754 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.573 7.839 -12.435 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -16.364 4.519 -8.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -14.470 5.874 -12.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -14.435 3.292 -9.201 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -13.485 3.966 -11.388 1.00 0.00 H new ATOM 885 N THR A 57 -20.250 4.173 -6.973 1.00 0.00 N ATOM 886 CA THR A 57 -20.775 3.692 -5.663 1.00 0.00 C ATOM 887 C THR A 57 -19.610 3.169 -4.821 1.00 0.00 C ATOM 888 O THR A 57 -18.611 2.717 -5.345 1.00 0.00 O ATOM 889 CB THR A 57 -21.784 2.564 -5.895 1.00 0.00 C ATOM 890 OG1 THR A 57 -22.905 3.074 -6.602 1.00 0.00 O ATOM 891 CG2 THR A 57 -22.240 2.001 -4.549 1.00 0.00 C ATOM 0 H THR A 57 -19.887 3.444 -7.587 1.00 0.00 H new ATOM 0 HA THR A 57 -21.269 4.513 -5.142 1.00 0.00 H new ATOM 0 HB THR A 57 -21.316 1.770 -6.478 1.00 0.00 H new ATOM 0 HG1 THR A 57 -23.552 2.353 -6.753 1.00 0.00 H new ATOM 0 HG21 THR A 57 -22.958 1.198 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 57 -21.378 1.611 -4.007 1.00 0.00 H new ATOM 0 HG23 THR A 57 -22.709 2.792 -3.964 1.00 0.00 H new ATOM 899 N LEU A 58 -19.722 3.229 -3.524 1.00 0.00 N ATOM 900 CA LEU A 58 -18.607 2.740 -2.665 1.00 0.00 C ATOM 901 C LEU A 58 -19.104 1.629 -1.738 1.00 0.00 C ATOM 902 O LEU A 58 -20.281 1.336 -1.671 1.00 0.00 O ATOM 903 CB LEU A 58 -18.069 3.898 -1.827 1.00 0.00 C ATOM 904 CG LEU A 58 -17.988 5.157 -2.690 1.00 0.00 C ATOM 905 CD1 LEU A 58 -17.232 6.248 -1.931 1.00 0.00 C ATOM 906 CD2 LEU A 58 -17.249 4.839 -3.994 1.00 0.00 C ATOM 0 H LEU A 58 -20.532 3.593 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 58 -17.815 2.344 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -18.719 4.073 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.083 3.649 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 58 -18.996 5.504 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -17.174 7.146 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.757 6.477 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.225 5.900 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -17.192 5.738 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.242 4.491 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -17.787 4.062 -4.537 1.00 0.00 H new ATOM 918 N VAL A 59 -18.204 1.007 -1.027 1.00 0.00 N ATOM 919 CA VAL A 59 -18.596 -0.093 -0.101 1.00 0.00 C ATOM 920 C VAL A 59 -17.635 -0.110 1.090 1.00 0.00 C ATOM 921 O VAL A 59 -16.432 -0.151 0.927 1.00 0.00 O ATOM 922 CB VAL A 59 -18.510 -1.429 -0.842 1.00 0.00 C ATOM 923 CG1 VAL A 59 -19.289 -2.495 -0.069 1.00 0.00 C ATOM 924 CG2 VAL A 59 -19.107 -1.273 -2.244 1.00 0.00 C ATOM 0 H VAL A 59 -17.206 1.216 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.615 0.064 0.251 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.466 -1.733 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.227 -3.446 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -18.863 -2.606 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -20.333 -2.194 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.046 -2.224 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -20.150 -0.968 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.549 -0.515 -2.795 1.00 0.00 H new ATOM 934 N PHE A 60 -18.151 -0.077 2.287 1.00 0.00 N ATOM 935 CA PHE A 60 -17.259 -0.087 3.479 1.00 0.00 C ATOM 936 C PHE A 60 -17.397 -1.422 4.214 1.00 0.00 C ATOM 937 O PHE A 60 -17.680 -2.442 3.617 1.00 0.00 O ATOM 938 CB PHE A 60 -17.652 1.058 4.415 1.00 0.00 C ATOM 939 CG PHE A 60 -18.078 2.254 3.593 1.00 0.00 C ATOM 940 CD1 PHE A 60 -17.375 2.585 2.430 1.00 0.00 C ATOM 941 CD2 PHE A 60 -19.175 3.028 3.995 1.00 0.00 C ATOM 942 CE1 PHE A 60 -17.766 3.691 1.666 1.00 0.00 C ATOM 943 CE2 PHE A 60 -19.566 4.133 3.230 1.00 0.00 C ATOM 944 CZ PHE A 60 -18.862 4.466 2.066 1.00 0.00 C ATOM 0 H PHE A 60 -19.150 -0.044 2.491 1.00 0.00 H new ATOM 0 HA PHE A 60 -16.225 0.041 3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -18.465 0.745 5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -16.811 1.324 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -16.530 1.987 2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -19.718 2.772 4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.223 3.947 0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -20.412 4.730 3.538 1.00 0.00 H new ATOM 0 HZ PHE A 60 -19.164 5.320 1.477 1.00 0.00 H new ATOM 954 N HIS A 61 -17.194 -1.428 5.503 1.00 0.00 N ATOM 955 CA HIS A 61 -17.308 -2.702 6.264 1.00 0.00 C ATOM 956 C HIS A 61 -16.579 -3.807 5.496 1.00 0.00 C ATOM 957 O HIS A 61 -16.916 -4.971 5.590 1.00 0.00 O ATOM 958 CB HIS A 61 -18.784 -3.075 6.418 1.00 0.00 C ATOM 959 CG HIS A 61 -19.540 -1.924 7.025 1.00 0.00 C ATOM 960 ND1 HIS A 61 -19.780 -1.832 8.386 1.00 0.00 N ATOM 961 CD2 HIS A 61 -20.121 -0.811 6.467 1.00 0.00 C ATOM 962 CE1 HIS A 61 -20.479 -0.703 8.600 1.00 0.00 C ATOM 963 NE2 HIS A 61 -20.714 -0.042 7.464 1.00 0.00 N ATOM 0 H HIS A 61 -16.955 -0.608 6.060 1.00 0.00 H new ATOM 0 HA HIS A 61 -16.862 -2.583 7.252 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -19.208 -3.328 5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -18.881 -3.959 7.048 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -20.118 -0.569 5.414 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -20.810 -0.371 9.573 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -21.219 0.837 7.351 1.00 0.00 H new ATOM 971 N LEU A 62 -15.586 -3.447 4.727 1.00 0.00 N ATOM 972 CA LEU A 62 -14.839 -4.466 3.940 1.00 0.00 C ATOM 973 C LEU A 62 -13.569 -4.876 4.697 1.00 0.00 C ATOM 974 O LEU A 62 -12.878 -4.036 5.240 1.00 0.00 O ATOM 975 CB LEU A 62 -14.442 -3.857 2.595 1.00 0.00 C ATOM 976 CG LEU A 62 -14.941 -4.742 1.453 1.00 0.00 C ATOM 977 CD1 LEU A 62 -16.415 -5.091 1.670 1.00 0.00 C ATOM 978 CD2 LEU A 62 -14.792 -3.984 0.135 1.00 0.00 C ATOM 0 H LEU A 62 -15.260 -2.487 4.611 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.468 -5.343 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.863 -2.856 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.358 -3.753 2.539 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.356 -5.661 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.764 -5.722 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.527 -5.625 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.005 -4.175 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -15.146 -4.608 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.381 -3.068 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.743 -3.735 -0.025 1.00 0.00 H new ATOM 990 N PRO A 63 -13.291 -6.156 4.701 1.00 0.00 N ATOM 991 CA PRO A 63 -12.102 -6.705 5.372 1.00 0.00 C ATOM 992 C PRO A 63 -10.867 -6.501 4.488 1.00 0.00 C ATOM 993 O PRO A 63 -10.963 -6.451 3.279 1.00 0.00 O ATOM 994 CB PRO A 63 -12.427 -8.194 5.517 1.00 0.00 C ATOM 995 CG PRO A 63 -13.488 -8.515 4.439 1.00 0.00 C ATOM 996 CD PRO A 63 -14.135 -7.175 4.043 1.00 0.00 C ATOM 0 HA PRO A 63 -11.883 -6.230 6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.534 -8.802 5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.808 -8.413 6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.029 -8.994 3.574 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.236 -9.207 4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.148 -7.043 2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.169 -7.116 4.383 1.00 0.00 H new ATOM 1004 N SER A 64 -9.708 -6.387 5.077 1.00 0.00 N ATOM 1005 CA SER A 64 -8.479 -6.190 4.256 1.00 0.00 C ATOM 1006 C SER A 64 -8.291 -7.397 3.332 1.00 0.00 C ATOM 1007 O SER A 64 -7.513 -7.361 2.401 1.00 0.00 O ATOM 1008 CB SER A 64 -7.267 -6.036 5.180 1.00 0.00 C ATOM 1009 OG SER A 64 -6.261 -6.974 4.815 1.00 0.00 O ATOM 0 H SER A 64 -9.559 -6.421 6.085 1.00 0.00 H new ATOM 0 HA SER A 64 -8.578 -5.289 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.873 -5.022 5.113 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.566 -6.194 6.216 1.00 0.00 H new ATOM 0 HG SER A 64 -5.487 -6.871 5.407 1.00 0.00 H new ATOM 1015 N SER A 65 -9.006 -8.462 3.576 1.00 0.00 N ATOM 1016 CA SER A 65 -8.876 -9.663 2.704 1.00 0.00 C ATOM 1017 C SER A 65 -10.248 -10.323 2.550 1.00 0.00 C ATOM 1018 O SER A 65 -10.844 -10.774 3.509 1.00 0.00 O ATOM 1019 CB SER A 65 -7.901 -10.656 3.333 1.00 0.00 C ATOM 1020 OG SER A 65 -8.222 -10.823 4.707 1.00 0.00 O ATOM 0 H SER A 65 -9.674 -8.552 4.341 1.00 0.00 H new ATOM 0 HA SER A 65 -8.499 -9.363 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.956 -11.614 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.878 -10.295 3.228 1.00 0.00 H new ATOM 0 HG SER A 65 -9.194 -10.786 4.823 1.00 0.00 H new ATOM 1026 N LYS A 66 -10.753 -10.379 1.348 1.00 0.00 N ATOM 1027 CA LYS A 66 -12.087 -11.003 1.126 1.00 0.00 C ATOM 1028 C LYS A 66 -11.925 -12.299 0.344 1.00 0.00 C ATOM 1029 O LYS A 66 -11.051 -12.437 -0.490 1.00 0.00 O ATOM 1030 CB LYS A 66 -12.970 -10.029 0.341 1.00 0.00 C ATOM 1031 CG LYS A 66 -14.276 -10.715 -0.069 1.00 0.00 C ATOM 1032 CD LYS A 66 -15.300 -10.582 1.059 1.00 0.00 C ATOM 1033 CE LYS A 66 -15.690 -9.119 1.213 1.00 0.00 C ATOM 1034 NZ LYS A 66 -17.127 -9.024 1.592 1.00 0.00 N ATOM 0 H LYS A 66 -10.298 -10.019 0.509 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.553 -11.226 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.187 -9.151 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.440 -9.679 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.665 -10.264 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.093 -11.767 -0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.181 -11.184 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.882 -10.959 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.070 -8.645 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.513 -8.585 0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.393 -8.024 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.711 -9.462 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.282 -9.520 2.493 1.00 0.00 H new ATOM 1048 N ASP A 67 -12.766 -13.251 0.617 1.00 0.00 N ATOM 1049 CA ASP A 67 -12.685 -14.546 -0.088 1.00 0.00 C ATOM 1050 C ASP A 67 -13.582 -14.514 -1.330 1.00 0.00 C ATOM 1051 O ASP A 67 -13.105 -14.489 -2.447 1.00 0.00 O ATOM 1052 CB ASP A 67 -13.134 -15.662 0.858 1.00 0.00 C ATOM 1053 CG ASP A 67 -14.281 -15.199 1.764 1.00 0.00 C ATOM 1054 OD1 ASP A 67 -14.010 -14.486 2.716 1.00 0.00 O ATOM 1055 OD2 ASP A 67 -15.408 -15.588 1.505 1.00 0.00 O ATOM 0 H ASP A 67 -13.514 -13.182 1.307 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.658 -14.732 -0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.454 -16.527 0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.291 -15.983 1.470 1.00 0.00 H new ATOM 1060 N GLN A 68 -14.870 -14.511 -1.145 1.00 0.00 N ATOM 1061 CA GLN A 68 -15.791 -14.478 -2.317 1.00 0.00 C ATOM 1062 C GLN A 68 -16.756 -13.299 -2.181 1.00 0.00 C ATOM 1063 O GLN A 68 -17.939 -13.478 -1.967 1.00 0.00 O ATOM 1064 CB GLN A 68 -16.594 -15.779 -2.378 1.00 0.00 C ATOM 1065 CG GLN A 68 -16.119 -16.620 -3.565 1.00 0.00 C ATOM 1066 CD GLN A 68 -16.873 -17.950 -3.581 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -16.455 -18.908 -2.961 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -17.976 -18.051 -4.271 1.00 0.00 N ATOM 0 H GLN A 68 -15.327 -14.530 -0.233 1.00 0.00 H new ATOM 0 HA GLN A 68 -15.204 -14.367 -3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.471 -16.338 -1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -17.657 -15.558 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.290 -16.082 -4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.046 -16.799 -3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.327 -17.247 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -18.487 -18.934 -4.290 1.00 0.00 H new ATOM 1077 N PHE A 69 -16.263 -12.097 -2.314 1.00 0.00 N ATOM 1078 CA PHE A 69 -17.151 -10.905 -2.206 1.00 0.00 C ATOM 1079 C PHE A 69 -18.448 -11.182 -2.956 1.00 0.00 C ATOM 1080 O PHE A 69 -18.441 -11.686 -4.057 1.00 0.00 O ATOM 1081 CB PHE A 69 -16.463 -9.691 -2.847 1.00 0.00 C ATOM 1082 CG PHE A 69 -17.106 -8.408 -2.362 1.00 0.00 C ATOM 1083 CD1 PHE A 69 -18.475 -8.179 -2.556 1.00 0.00 C ATOM 1084 CD2 PHE A 69 -16.329 -7.448 -1.710 1.00 0.00 C ATOM 1085 CE1 PHE A 69 -19.059 -6.992 -2.096 1.00 0.00 C ATOM 1086 CE2 PHE A 69 -16.913 -6.262 -1.249 1.00 0.00 C ATOM 1087 CZ PHE A 69 -18.278 -6.035 -1.441 1.00 0.00 C ATOM 0 H PHE A 69 -15.281 -11.889 -2.493 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.357 -10.701 -1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -15.402 -9.691 -2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -16.535 -9.754 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -19.080 -8.918 -3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -15.273 -7.621 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -20.114 -6.816 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.308 -5.523 -0.745 1.00 0.00 H new ATOM 0 HZ PHE A 69 -18.730 -5.121 -1.084 1.00 0.00 H new ATOM 1097 N GLU A 70 -19.562 -10.850 -2.386 1.00 0.00 N ATOM 1098 CA GLU A 70 -20.835 -11.085 -3.103 1.00 0.00 C ATOM 1099 C GLU A 70 -21.611 -9.766 -3.157 1.00 0.00 C ATOM 1100 O GLU A 70 -22.306 -9.403 -2.229 1.00 0.00 O ATOM 1101 CB GLU A 70 -21.654 -12.150 -2.370 1.00 0.00 C ATOM 1102 CG GLU A 70 -22.389 -13.018 -3.393 1.00 0.00 C ATOM 1103 CD GLU A 70 -23.663 -12.304 -3.851 1.00 0.00 C ATOM 1104 OE1 GLU A 70 -23.561 -11.456 -4.722 1.00 0.00 O ATOM 1105 OE2 GLU A 70 -24.717 -12.617 -3.324 1.00 0.00 O ATOM 0 H GLU A 70 -19.648 -10.429 -1.461 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.637 -11.439 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -21.000 -12.768 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -22.369 -11.676 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -21.743 -13.215 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.639 -13.983 -2.953 1.00 0.00 H new ATOM 1112 N LEU A 71 -21.480 -9.034 -4.232 1.00 0.00 N ATOM 1113 CA LEU A 71 -22.193 -7.729 -4.336 1.00 0.00 C ATOM 1114 C LEU A 71 -23.310 -7.820 -5.370 1.00 0.00 C ATOM 1115 O LEU A 71 -23.093 -8.216 -6.491 1.00 0.00 O ATOM 1116 CB LEU A 71 -21.212 -6.646 -4.774 1.00 0.00 C ATOM 1117 CG LEU A 71 -21.961 -5.322 -4.904 1.00 0.00 C ATOM 1118 CD1 LEU A 71 -22.038 -4.648 -3.535 1.00 0.00 C ATOM 1119 CD2 LEU A 71 -21.221 -4.412 -5.882 1.00 0.00 C ATOM 0 H LEU A 71 -20.911 -9.284 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 71 -22.616 -7.484 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -20.405 -6.553 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -20.754 -6.915 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 71 -22.969 -5.507 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -22.572 -3.702 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.566 -5.299 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -21.030 -4.462 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -21.756 -3.467 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -20.213 -4.224 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -21.166 -4.895 -6.858 1.00 0.00 H new ATOM 1131 N CYS A 72 -24.501 -7.436 -5.014 1.00 0.00 N ATOM 1132 CA CYS A 72 -25.617 -7.494 -5.998 1.00 0.00 C ATOM 1133 C CYS A 72 -26.282 -6.121 -6.102 1.00 0.00 C ATOM 1134 O CYS A 72 -26.032 -5.236 -5.306 1.00 0.00 O ATOM 1135 CB CYS A 72 -26.646 -8.533 -5.551 1.00 0.00 C ATOM 1136 SG CYS A 72 -27.347 -9.342 -7.012 1.00 0.00 S ATOM 0 H CYS A 72 -24.751 -7.086 -4.089 1.00 0.00 H new ATOM 0 HA CYS A 72 -25.222 -7.778 -6.974 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -26.176 -9.272 -4.901 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -27.435 -8.055 -4.971 1.00 0.00 H new ATOM 1141 N GLY A 73 -27.123 -5.937 -7.082 1.00 0.00 N ATOM 1142 CA GLY A 73 -27.803 -4.621 -7.247 1.00 0.00 C ATOM 1143 C GLY A 73 -26.993 -3.752 -8.212 1.00 0.00 C ATOM 1144 O GLY A 73 -26.914 -2.550 -8.062 1.00 0.00 O ATOM 0 H GLY A 73 -27.369 -6.642 -7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -28.813 -4.766 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -27.896 -4.123 -6.282 1.00 0.00 H new ATOM 1148 N LEU A 74 -26.385 -4.354 -9.200 1.00 0.00 N ATOM 1149 CA LEU A 74 -25.573 -3.560 -10.169 1.00 0.00 C ATOM 1150 C LEU A 74 -26.225 -3.615 -11.554 1.00 0.00 C ATOM 1151 O LEU A 74 -25.563 -3.822 -12.552 1.00 0.00 O ATOM 1152 CB LEU A 74 -24.152 -4.134 -10.259 1.00 0.00 C ATOM 1153 CG LEU A 74 -23.821 -4.927 -8.991 1.00 0.00 C ATOM 1154 CD1 LEU A 74 -22.535 -5.729 -9.213 1.00 0.00 C ATOM 1155 CD2 LEU A 74 -23.625 -3.960 -7.821 1.00 0.00 C ATOM 0 H LEU A 74 -26.415 -5.358 -9.378 1.00 0.00 H new ATOM 0 HA LEU A 74 -25.525 -2.527 -9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -24.067 -4.780 -11.133 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -23.433 -3.325 -10.389 1.00 0.00 H new ATOM 0 HG LEU A 74 -24.640 -5.609 -8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -22.298 -6.294 -8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.675 -6.418 -10.046 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -21.715 -5.047 -9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -23.389 -4.524 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.806 -3.277 -8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -24.540 -3.389 -7.664 1.00 0.00 H new ATOM 1167 N HIS A 75 -27.514 -3.427 -11.627 1.00 0.00 N ATOM 1168 CA HIS A 75 -28.198 -3.466 -12.953 1.00 0.00 C ATOM 1169 C HIS A 75 -28.388 -2.038 -13.471 1.00 0.00 C ATOM 1170 O HIS A 75 -29.289 -1.335 -13.060 1.00 0.00 O ATOM 1171 CB HIS A 75 -29.565 -4.138 -12.805 1.00 0.00 C ATOM 1172 CG HIS A 75 -30.416 -3.332 -11.863 1.00 0.00 C ATOM 1173 ND1 HIS A 75 -31.424 -2.491 -12.309 1.00 0.00 N ATOM 1174 CD2 HIS A 75 -30.419 -3.226 -10.494 1.00 0.00 C ATOM 1175 CE1 HIS A 75 -31.985 -1.922 -11.227 1.00 0.00 C ATOM 1176 NE2 HIS A 75 -31.411 -2.335 -10.095 1.00 0.00 N ATOM 0 H HIS A 75 -28.123 -3.248 -10.829 1.00 0.00 H new ATOM 0 HA HIS A 75 -27.589 -4.032 -13.658 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -30.052 -4.216 -13.777 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -29.445 -5.153 -12.427 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -29.753 -3.754 -9.828 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -32.801 -1.216 -11.269 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -31.648 -2.057 -9.143 1.00 0.00 H new ATOM 1184 N GLN A 76 -27.545 -1.600 -14.367 1.00 0.00 N ATOM 1185 CA GLN A 76 -27.685 -0.216 -14.900 1.00 0.00 C ATOM 1186 C GLN A 76 -26.673 0.009 -16.026 1.00 0.00 C ATOM 1187 O GLN A 76 -26.949 0.693 -16.992 1.00 0.00 O ATOM 1188 CB GLN A 76 -27.426 0.788 -13.775 1.00 0.00 C ATOM 1189 CG GLN A 76 -28.691 1.608 -13.521 1.00 0.00 C ATOM 1190 CD GLN A 76 -28.396 2.693 -12.484 1.00 0.00 C ATOM 1191 OE1 GLN A 76 -28.159 2.396 -11.329 1.00 0.00 O ATOM 1192 NE2 GLN A 76 -28.397 3.946 -12.848 1.00 0.00 N ATOM 0 H GLN A 76 -26.769 -2.139 -14.751 1.00 0.00 H new ATOM 0 HA GLN A 76 -28.694 -0.079 -15.290 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -27.131 0.264 -12.866 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -26.601 1.447 -14.044 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -29.035 2.062 -14.450 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -29.492 0.960 -13.167 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -28.596 4.195 -13.817 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -28.199 4.676 -12.164 1.00 0.00 H new ATOM 1201 N ALA A 77 -25.503 -0.556 -15.911 1.00 0.00 N ATOM 1202 CA ALA A 77 -24.478 -0.364 -16.977 1.00 0.00 C ATOM 1203 C ALA A 77 -24.150 -1.706 -17.632 1.00 0.00 C ATOM 1204 O ALA A 77 -24.334 -2.748 -17.034 1.00 0.00 O ATOM 1205 CB ALA A 77 -23.206 0.213 -16.356 1.00 0.00 C ATOM 0 H ALA A 77 -25.212 -1.141 -15.128 1.00 0.00 H new ATOM 0 HA ALA A 77 -24.869 0.320 -17.730 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -22.454 0.355 -17.132 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -23.431 1.172 -15.890 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -22.824 -0.476 -15.603 1.00 0.00 H new ATOM 1211 N PRO A 78 -23.658 -1.636 -18.842 1.00 0.00 N ATOM 1212 CA PRO A 78 -23.272 -2.829 -19.608 1.00 0.00 C ATOM 1213 C PRO A 78 -21.921 -3.336 -19.101 1.00 0.00 C ATOM 1214 O PRO A 78 -21.629 -4.515 -19.141 1.00 0.00 O ATOM 1215 CB PRO A 78 -23.169 -2.317 -21.048 1.00 0.00 C ATOM 1216 CG PRO A 78 -22.941 -0.791 -20.949 1.00 0.00 C ATOM 1217 CD PRO A 78 -23.439 -0.360 -19.557 1.00 0.00 C ATOM 0 HA PRO A 78 -23.973 -3.659 -19.519 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -22.346 -2.800 -21.575 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -24.079 -2.539 -21.606 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -21.886 -0.548 -21.075 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -23.485 -0.266 -21.734 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -22.705 0.263 -19.046 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -24.358 0.222 -19.625 1.00 0.00 H new ATOM 1225 N VAL A 79 -21.101 -2.447 -18.606 1.00 0.00 N ATOM 1226 CA VAL A 79 -19.774 -2.862 -18.072 1.00 0.00 C ATOM 1227 C VAL A 79 -19.540 -2.122 -16.749 1.00 0.00 C ATOM 1228 O VAL A 79 -19.786 -0.937 -16.645 1.00 0.00 O ATOM 1229 CB VAL A 79 -18.680 -2.505 -19.083 1.00 0.00 C ATOM 1230 CG1 VAL A 79 -18.965 -1.126 -19.677 1.00 0.00 C ATOM 1231 CG2 VAL A 79 -17.317 -2.490 -18.385 1.00 0.00 C ATOM 0 H VAL A 79 -21.296 -1.447 -18.549 1.00 0.00 H new ATOM 0 HA VAL A 79 -19.748 -3.939 -17.903 1.00 0.00 H new ATOM 0 HB VAL A 79 -18.668 -3.249 -19.880 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -18.187 -0.872 -20.396 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -19.933 -1.139 -20.179 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -18.979 -0.382 -18.880 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.541 -2.236 -19.107 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -17.326 -1.749 -17.586 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -17.113 -3.475 -17.965 1.00 0.00 H new ATOM 1241 N TYR A 80 -19.089 -2.809 -15.737 1.00 0.00 N ATOM 1242 CA TYR A 80 -18.868 -2.141 -14.425 1.00 0.00 C ATOM 1243 C TYR A 80 -17.372 -2.036 -14.124 1.00 0.00 C ATOM 1244 O TYR A 80 -16.595 -2.915 -14.438 1.00 0.00 O ATOM 1245 CB TYR A 80 -19.551 -2.958 -13.326 1.00 0.00 C ATOM 1246 CG TYR A 80 -20.948 -2.430 -13.101 1.00 0.00 C ATOM 1247 CD1 TYR A 80 -21.975 -2.770 -13.989 1.00 0.00 C ATOM 1248 CD2 TYR A 80 -21.216 -1.600 -12.006 1.00 0.00 C ATOM 1249 CE1 TYR A 80 -23.270 -2.281 -13.782 1.00 0.00 C ATOM 1250 CE2 TYR A 80 -22.511 -1.110 -11.798 1.00 0.00 C ATOM 1251 CZ TYR A 80 -23.538 -1.450 -12.687 1.00 0.00 C ATOM 1252 OH TYR A 80 -24.815 -0.967 -12.483 1.00 0.00 O ATOM 0 H TYR A 80 -18.864 -3.804 -15.762 1.00 0.00 H new ATOM 0 HA TYR A 80 -19.289 -1.136 -14.462 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -19.590 -4.010 -13.610 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.975 -2.898 -12.403 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.768 -3.410 -14.834 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -20.423 -1.337 -11.321 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.063 -2.544 -14.467 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -22.718 -0.470 -10.953 1.00 0.00 H new ATOM 0 HH TYR A 80 -25.090 -0.433 -13.257 1.00 0.00 H new ATOM 1262 N THR A 81 -16.971 -0.960 -13.502 1.00 0.00 N ATOM 1263 CA THR A 81 -15.531 -0.781 -13.153 1.00 0.00 C ATOM 1264 C THR A 81 -15.378 -0.915 -11.639 1.00 0.00 C ATOM 1265 O THR A 81 -16.329 -0.753 -10.900 1.00 0.00 O ATOM 1266 CB THR A 81 -15.061 0.610 -13.592 1.00 0.00 C ATOM 1267 OG1 THR A 81 -14.935 0.639 -15.006 1.00 0.00 O ATOM 1268 CG2 THR A 81 -13.708 0.922 -12.950 1.00 0.00 C ATOM 0 H THR A 81 -17.582 -0.193 -13.219 1.00 0.00 H new ATOM 0 HA THR A 81 -14.930 -1.535 -13.660 1.00 0.00 H new ATOM 0 HB THR A 81 -15.789 1.357 -13.275 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.609 1.519 -15.287 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.376 1.912 -13.264 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.806 0.899 -11.865 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.976 0.177 -13.263 1.00 0.00 H new ATOM 1276 N LEU A 82 -14.202 -1.220 -11.163 1.00 0.00 N ATOM 1277 CA LEU A 82 -14.029 -1.374 -9.692 1.00 0.00 C ATOM 1278 C LEU A 82 -12.580 -1.083 -9.287 1.00 0.00 C ATOM 1279 O LEU A 82 -11.643 -1.519 -9.926 1.00 0.00 O ATOM 1280 CB LEU A 82 -14.388 -2.809 -9.298 1.00 0.00 C ATOM 1281 CG LEU A 82 -15.890 -3.031 -9.487 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -16.161 -3.510 -10.916 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -16.377 -4.091 -8.495 1.00 0.00 C ATOM 0 H LEU A 82 -13.362 -1.368 -11.722 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.682 -0.667 -9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.826 -3.516 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.111 -2.992 -8.260 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.420 -2.095 -9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.231 -3.668 -11.050 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.814 -2.757 -11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.631 -4.446 -11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.447 -4.250 -8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -15.846 -5.026 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.185 -3.752 -7.477 1.00 0.00 H new ATOM 1295 N GLN A 83 -12.397 -0.361 -8.212 1.00 0.00 N ATOM 1296 CA GLN A 83 -11.019 -0.049 -7.736 1.00 0.00 C ATOM 1297 C GLN A 83 -10.857 -0.608 -6.319 1.00 0.00 C ATOM 1298 O GLN A 83 -11.689 -1.355 -5.841 1.00 0.00 O ATOM 1299 CB GLN A 83 -10.809 1.469 -7.707 1.00 0.00 C ATOM 1300 CG GLN A 83 -9.494 1.820 -8.406 1.00 0.00 C ATOM 1301 CD GLN A 83 -9.775 2.742 -9.593 1.00 0.00 C ATOM 1302 OE1 GLN A 83 -10.766 3.446 -9.610 1.00 0.00 O ATOM 1303 NE2 GLN A 83 -8.938 2.770 -10.593 1.00 0.00 N ATOM 0 H GLN A 83 -13.148 0.027 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.286 -0.496 -8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -11.641 1.971 -8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.791 1.824 -6.677 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.817 2.309 -7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.998 0.911 -8.748 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.107 2.179 -10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.115 3.383 -11.389 1.00 0.00 H new ATOM 1312 N MET A 84 -9.800 -0.258 -5.642 1.00 0.00 N ATOM 1313 CA MET A 84 -9.602 -0.778 -4.254 1.00 0.00 C ATOM 1314 C MET A 84 -8.744 0.206 -3.452 1.00 0.00 C ATOM 1315 O MET A 84 -7.731 0.677 -3.920 1.00 0.00 O ATOM 1316 CB MET A 84 -8.892 -2.131 -4.327 1.00 0.00 C ATOM 1317 CG MET A 84 -9.192 -2.938 -3.064 1.00 0.00 C ATOM 1318 SD MET A 84 -10.441 -4.194 -3.435 1.00 0.00 S ATOM 1319 CE MET A 84 -11.281 -4.155 -1.834 1.00 0.00 C ATOM 0 H MET A 84 -9.066 0.362 -5.984 1.00 0.00 H new ATOM 0 HA MET A 84 -10.569 -0.892 -3.763 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.224 -2.680 -5.208 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.817 -1.984 -4.429 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.282 -3.412 -2.697 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.548 -2.278 -2.273 1.00 0.00 H new ATOM 0 HE1 MET A 84 -12.261 -4.623 -1.926 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.687 -4.697 -1.098 1.00 0.00 H new ATOM 0 HE3 MET A 84 -11.402 -3.121 -1.512 1.00 0.00 H new ATOM 1329 N ARG A 85 -9.135 0.520 -2.242 1.00 0.00 N ATOM 1330 CA ARG A 85 -8.325 1.474 -1.426 1.00 0.00 C ATOM 1331 C ARG A 85 -8.292 1.014 0.035 1.00 0.00 C ATOM 1332 O ARG A 85 -9.221 0.406 0.525 1.00 0.00 O ATOM 1333 CB ARG A 85 -8.941 2.871 -1.502 1.00 0.00 C ATOM 1334 CG ARG A 85 -7.903 3.908 -1.067 1.00 0.00 C ATOM 1335 CD ARG A 85 -8.300 5.286 -1.599 1.00 0.00 C ATOM 1336 NE ARG A 85 -8.855 6.107 -0.486 1.00 0.00 N ATOM 1337 CZ ARG A 85 -9.763 7.012 -0.734 1.00 0.00 C ATOM 1338 NH1 ARG A 85 -9.498 7.999 -1.545 1.00 0.00 N ATOM 1339 NH2 ARG A 85 -10.935 6.930 -0.167 1.00 0.00 N ATOM 0 H ARG A 85 -9.974 0.160 -1.787 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.309 1.501 -1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -9.275 3.079 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.820 2.928 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.833 3.933 0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.918 3.632 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.433 5.783 -2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.040 5.182 -2.393 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.526 5.962 0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.581 8.064 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.208 8.705 -1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.141 6.160 0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.645 7.636 -0.360 1.00 0.00 H new ATOM 1353 N CYS A 86 -7.224 1.303 0.731 1.00 0.00 N ATOM 1354 CA CYS A 86 -7.121 0.882 2.161 1.00 0.00 C ATOM 1355 C CYS A 86 -6.682 2.073 3.016 1.00 0.00 C ATOM 1356 O CYS A 86 -6.507 3.166 2.518 1.00 0.00 O ATOM 1357 CB CYS A 86 -6.080 -0.236 2.277 1.00 0.00 C ATOM 1358 SG CYS A 86 -6.868 -1.767 2.835 1.00 0.00 S ATOM 0 H CYS A 86 -6.417 1.813 0.371 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.090 0.525 2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.599 -0.397 1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.298 0.056 2.978 1.00 0.00 H new ATOM 1537 N TRP A 98 -5.725 5.158 -4.516 1.00 0.00 N ATOM 1538 CA TRP A 98 -6.766 4.281 -5.130 1.00 0.00 C ATOM 1539 C TRP A 98 -6.100 3.252 -6.045 1.00 0.00 C ATOM 1540 O TRP A 98 -5.919 3.480 -7.224 1.00 0.00 O ATOM 1541 CB TRP A 98 -7.740 5.129 -5.952 1.00 0.00 C ATOM 1542 CG TRP A 98 -8.968 5.392 -5.145 1.00 0.00 C ATOM 1543 CD1 TRP A 98 -9.396 6.614 -4.757 1.00 0.00 C ATOM 1544 CD2 TRP A 98 -9.931 4.433 -4.620 1.00 0.00 C ATOM 1545 NE1 TRP A 98 -10.561 6.468 -4.025 1.00 0.00 N ATOM 1546 CE2 TRP A 98 -10.931 5.142 -3.913 1.00 0.00 C ATOM 1547 CE3 TRP A 98 -10.032 3.030 -4.687 1.00 0.00 C ATOM 1548 CZ2 TRP A 98 -11.993 4.483 -3.292 1.00 0.00 C ATOM 1549 CZ3 TRP A 98 -11.100 2.364 -4.063 1.00 0.00 C ATOM 1550 CH2 TRP A 98 -12.078 3.090 -3.367 1.00 0.00 C ATOM 0 HA TRP A 98 -7.310 3.768 -4.337 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -7.270 6.070 -6.237 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -8.001 4.611 -6.875 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -8.908 7.551 -4.982 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -11.083 7.244 -3.618 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -9.284 2.463 -5.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -12.744 5.046 -2.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -11.168 1.288 -4.119 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -12.897 2.572 -2.889 1.00 0.00 H new ATOM 1561 N SER A 99 -5.747 2.115 -5.515 1.00 0.00 N ATOM 1562 CA SER A 99 -5.108 1.067 -6.357 1.00 0.00 C ATOM 1563 C SER A 99 -5.959 0.845 -7.610 1.00 0.00 C ATOM 1564 O SER A 99 -7.169 0.966 -7.563 1.00 0.00 O ATOM 1565 CB SER A 99 -5.016 -0.239 -5.565 1.00 0.00 C ATOM 1566 OG SER A 99 -6.207 -0.990 -5.761 1.00 0.00 O ATOM 0 H SER A 99 -5.874 1.866 -4.534 1.00 0.00 H new ATOM 0 HA SER A 99 -4.106 1.386 -6.644 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.150 -0.816 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.876 -0.026 -4.505 1.00 0.00 H new ATOM 0 HG SER A 99 -6.005 -1.947 -5.696 1.00 0.00 H new ATOM 1572 N PRO A 100 -5.297 0.530 -8.694 1.00 0.00 N ATOM 1573 CA PRO A 100 -5.959 0.288 -9.986 1.00 0.00 C ATOM 1574 C PRO A 100 -6.601 -1.100 -10.005 1.00 0.00 C ATOM 1575 O PRO A 100 -5.923 -2.107 -10.017 1.00 0.00 O ATOM 1576 CB PRO A 100 -4.814 0.377 -10.998 1.00 0.00 C ATOM 1577 CG PRO A 100 -3.512 0.099 -10.209 1.00 0.00 C ATOM 1578 CD PRO A 100 -3.828 0.376 -8.728 1.00 0.00 C ATOM 0 HA PRO A 100 -6.762 0.995 -10.197 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.946 -0.351 -11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.783 1.362 -11.464 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.186 -0.932 -10.350 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.703 0.740 -10.559 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.499 -0.444 -8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.325 1.276 -8.375 1.00 0.00 H new ATOM 1586 N GLY A 101 -7.904 -1.160 -10.008 1.00 0.00 N ATOM 1587 CA GLY A 101 -8.586 -2.484 -10.025 1.00 0.00 C ATOM 1588 C GLY A 101 -8.733 -2.961 -11.470 1.00 0.00 C ATOM 1589 O GLY A 101 -7.765 -3.276 -12.132 1.00 0.00 O ATOM 0 H GLY A 101 -8.525 -0.351 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.012 -3.209 -9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.566 -2.407 -9.554 1.00 0.00 H new ATOM 1593 N LEU A 102 -9.937 -3.012 -11.964 1.00 0.00 N ATOM 1594 CA LEU A 102 -10.140 -3.468 -13.369 1.00 0.00 C ATOM 1595 C LEU A 102 -11.589 -3.214 -13.791 1.00 0.00 C ATOM 1596 O LEU A 102 -12.346 -2.569 -13.093 1.00 0.00 O ATOM 1597 CB LEU A 102 -9.826 -4.961 -13.480 1.00 0.00 C ATOM 1598 CG LEU A 102 -10.858 -5.766 -12.689 1.00 0.00 C ATOM 1599 CD1 LEU A 102 -10.758 -7.241 -13.080 1.00 0.00 C ATOM 1600 CD2 LEU A 102 -10.582 -5.617 -11.191 1.00 0.00 C ATOM 0 H LEU A 102 -10.787 -2.759 -11.460 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.471 -2.911 -14.025 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.836 -5.268 -14.526 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.825 -5.161 -13.099 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.858 -5.396 -12.913 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.493 -7.817 -12.517 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.952 -7.349 -14.147 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.758 -7.610 -12.854 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.317 -6.191 -10.627 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.582 -5.988 -10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.650 -4.566 -10.911 1.00 0.00 H new ATOM 1612 N GLN A 103 -11.975 -3.709 -14.934 1.00 0.00 N ATOM 1613 CA GLN A 103 -13.370 -3.493 -15.408 1.00 0.00 C ATOM 1614 C GLN A 103 -13.835 -4.709 -16.215 1.00 0.00 C ATOM 1615 O GLN A 103 -13.132 -5.199 -17.078 1.00 0.00 O ATOM 1616 CB GLN A 103 -13.410 -2.251 -16.299 1.00 0.00 C ATOM 1617 CG GLN A 103 -12.332 -2.369 -17.379 1.00 0.00 C ATOM 1618 CD GLN A 103 -12.750 -1.562 -18.609 1.00 0.00 C ATOM 1619 OE1 GLN A 103 -12.400 -0.406 -18.737 1.00 0.00 O ATOM 1620 NE2 GLN A 103 -13.487 -2.128 -19.524 1.00 0.00 N ATOM 0 H GLN A 103 -11.384 -4.254 -15.561 1.00 0.00 H new ATOM 0 HA GLN A 103 -14.028 -3.356 -14.550 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.393 -2.151 -16.759 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.245 -1.355 -15.701 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.379 -2.003 -16.998 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.186 -3.415 -17.650 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.780 -3.099 -19.414 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.771 -1.600 -20.349 1.00 0.00 H new ATOM 1629 N LEU A 104 -15.013 -5.198 -15.942 1.00 0.00 N ATOM 1630 CA LEU A 104 -15.526 -6.380 -16.693 1.00 0.00 C ATOM 1631 C LEU A 104 -17.052 -6.298 -16.779 1.00 0.00 C ATOM 1632 O LEU A 104 -17.647 -5.316 -16.390 1.00 0.00 O ATOM 1633 CB LEU A 104 -15.126 -7.662 -15.960 1.00 0.00 C ATOM 1634 CG LEU A 104 -13.948 -8.319 -16.680 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -13.646 -9.673 -16.036 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -14.303 -8.526 -18.155 1.00 0.00 C ATOM 0 H LEU A 104 -15.644 -4.830 -15.230 1.00 0.00 H new ATOM 0 HA LEU A 104 -15.102 -6.389 -17.697 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.854 -7.434 -14.930 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -15.971 -8.350 -15.922 1.00 0.00 H new ATOM 0 HG LEU A 104 -13.072 -7.676 -16.602 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -12.806 -10.141 -16.550 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.394 -9.528 -14.986 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.523 -10.316 -16.113 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.464 -8.994 -18.669 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.180 -9.169 -18.231 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.519 -7.562 -18.616 1.00 0.00 H new ATOM 1648 N ARG A 105 -17.692 -7.318 -17.285 1.00 0.00 N ATOM 1649 CA ARG A 105 -19.177 -7.283 -17.392 1.00 0.00 C ATOM 1650 C ARG A 105 -19.787 -8.245 -16.364 1.00 0.00 C ATOM 1651 O ARG A 105 -19.445 -9.411 -16.334 1.00 0.00 O ATOM 1652 CB ARG A 105 -19.583 -7.712 -18.799 1.00 0.00 C ATOM 1653 CG ARG A 105 -19.108 -6.656 -19.798 1.00 0.00 C ATOM 1654 CD ARG A 105 -19.725 -6.935 -21.166 1.00 0.00 C ATOM 1655 NE ARG A 105 -19.537 -8.374 -21.510 1.00 0.00 N ATOM 1656 CZ ARG A 105 -20.035 -8.855 -22.617 1.00 0.00 C ATOM 1657 NH1 ARG A 105 -21.237 -8.512 -22.996 1.00 0.00 N ATOM 1658 NH2 ARG A 105 -19.331 -9.680 -23.344 1.00 0.00 N ATOM 0 H ARG A 105 -17.251 -8.171 -17.628 1.00 0.00 H new ATOM 0 HA ARG A 105 -19.538 -6.273 -17.197 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -19.145 -8.681 -19.038 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -20.665 -7.828 -18.860 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -19.393 -5.661 -19.455 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -18.020 -6.670 -19.868 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -20.787 -6.688 -21.156 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -19.258 -6.305 -21.923 1.00 0.00 H new ATOM 0 HE ARG A 105 -19.018 -8.984 -20.879 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -21.787 -7.868 -22.427 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.626 -8.888 -23.861 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -18.393 -9.948 -23.047 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -19.719 -10.056 -24.209 1.00 0.00 H new ATOM 1672 N PRO A 106 -20.671 -7.723 -15.544 1.00 0.00 N ATOM 1673 CA PRO A 106 -21.343 -8.511 -14.492 1.00 0.00 C ATOM 1674 C PRO A 106 -22.460 -9.374 -15.092 1.00 0.00 C ATOM 1675 O PRO A 106 -22.452 -9.685 -16.266 1.00 0.00 O ATOM 1676 CB PRO A 106 -21.917 -7.442 -13.556 1.00 0.00 C ATOM 1677 CG PRO A 106 -22.041 -6.149 -14.393 1.00 0.00 C ATOM 1678 CD PRO A 106 -21.085 -6.305 -15.588 1.00 0.00 C ATOM 0 HA PRO A 106 -20.673 -9.203 -13.982 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -22.888 -7.747 -13.167 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -21.264 -7.287 -12.697 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -23.066 -6.005 -14.734 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -21.777 -5.275 -13.797 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -21.582 -6.065 -16.528 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -20.228 -5.638 -15.501 1.00 0.00 H new ATOM 1686 N THR A 107 -23.416 -9.765 -14.288 1.00 0.00 N ATOM 1687 CA THR A 107 -24.536 -10.609 -14.800 1.00 0.00 C ATOM 1688 C THR A 107 -24.975 -10.100 -16.176 1.00 0.00 C ATOM 1689 O THR A 107 -24.760 -8.955 -16.520 1.00 0.00 O ATOM 1690 CB THR A 107 -25.714 -10.533 -13.824 1.00 0.00 C ATOM 1691 OG1 THR A 107 -26.310 -9.247 -13.905 1.00 0.00 O ATOM 1692 CG2 THR A 107 -25.219 -10.779 -12.396 1.00 0.00 C ATOM 0 H THR A 107 -23.468 -9.535 -13.296 1.00 0.00 H new ATOM 0 HA THR A 107 -24.203 -11.643 -14.889 1.00 0.00 H new ATOM 0 HB THR A 107 -26.450 -11.294 -14.085 1.00 0.00 H new ATOM 0 HG1 THR A 107 -27.065 -9.197 -13.282 1.00 0.00 H new ATOM 0 HG21 THR A 107 -26.060 -10.724 -11.705 1.00 0.00 H new ATOM 0 HG22 THR A 107 -24.763 -11.767 -12.334 1.00 0.00 H new ATOM 0 HG23 THR A 107 -24.482 -10.021 -12.131 1.00 0.00 H new