USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 449 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 43 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 47 HIS : no HD1:sc= -14.6! C(o=-15!,f=-17!) USER MOD Set 2.1: A 28 TYR OH : rot 15:sc= 0.178 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -131:sc= 0.0682 (180deg=-0.492) USER MOD Single : A 19 GLN : amide:sc= -1.31 K(o=-1.3,f=-2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 30 ASN : amide:sc= -4.11! C(o=-4.1!,f=-5.3!) USER MOD Single : A 31 HIS : no HE2:sc= -0.416 K(o=-0.42,f=-1.4) USER MOD Single : A 34 SER OG : rot -88:sc= 0.965 USER MOD Single : A 38 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-4.4!) USER MOD Single : A 40 SER OG : rot 170:sc= -1.06 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 170:sc= 0 (180deg=-0.0913) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 51 MET CE :methyl 172:sc= -5.61! (180deg=-6.13!) USER MOD Single : A 52 MET CE :methyl -110:sc= -4.09! (180deg=-6.33!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.7!) USER MOD Single : A 58 HIS : no HE2:sc= -0.378 X(o=-0.38,f=-0.23) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -6.63! C(o=-6.6!,f=-9.3!) USER MOD Single : A 66 CYS SG : rot 75:sc= -0.661 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 15 9.336 -4.721 -6.406 1.00 0.00 N ATOM 2 CA LEU A 15 8.361 -5.725 -6.790 1.00 0.00 C ATOM 3 C LEU A 15 7.315 -5.866 -5.683 1.00 0.00 C ATOM 4 O LEU A 15 6.115 -5.826 -5.947 1.00 0.00 O ATOM 5 CB LEU A 15 9.058 -7.040 -7.148 1.00 0.00 C ATOM 6 CG LEU A 15 9.314 -7.280 -8.637 1.00 0.00 C ATOM 7 CD1 LEU A 15 10.177 -8.524 -8.853 1.00 0.00 C ATOM 8 CD2 LEU A 15 7.997 -7.354 -9.415 1.00 0.00 C ATOM 0 HA LEU A 15 7.832 -5.415 -7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.014 -7.076 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.455 -7.864 -6.766 1.00 0.00 H new ATOM 0 HG LEU A 15 9.873 -6.430 -9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.343 -8.671 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.136 -8.393 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.668 -9.396 -8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.207 -7.525 -10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.391 -8.174 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.454 -6.416 -9.301 1.00 0.00 H new ATOM 19 N ARG A 16 7.809 -6.027 -4.463 1.00 0.00 N ATOM 20 CA ARG A 16 6.934 -6.172 -3.313 1.00 0.00 C ATOM 21 C ARG A 16 6.207 -4.856 -3.030 1.00 0.00 C ATOM 22 O ARG A 16 4.979 -4.820 -2.974 1.00 0.00 O ATOM 23 CB ARG A 16 7.721 -6.591 -2.071 1.00 0.00 C ATOM 24 CG ARG A 16 7.492 -8.070 -1.748 1.00 0.00 C ATOM 25 CD ARG A 16 6.498 -8.231 -0.596 1.00 0.00 C ATOM 26 NE ARG A 16 5.707 -9.468 -0.779 1.00 0.00 N ATOM 27 CZ ARG A 16 6.213 -10.714 -0.668 1.00 0.00 C ATOM 28 NH1 ARG A 16 7.517 -10.900 -0.372 1.00 0.00 N ATOM 29 NH2 ARG A 16 5.413 -11.748 -0.852 1.00 0.00 N ATOM 0 H ARG A 16 8.805 -6.060 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 16 6.206 -6.949 -3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.784 -6.411 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.419 -5.979 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.116 -8.585 -2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.440 -8.539 -1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.032 -8.268 0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.834 -7.368 -0.555 1.00 0.00 H new ATOM 0 HE ARG A 16 4.717 -9.373 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.128 -10.095 -0.230 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.892 -11.845 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.429 -11.598 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.779 -12.697 -0.772 1.00 0.00 H new ATOM 39 N GLU A 17 6.996 -3.807 -2.856 1.00 0.00 N ATOM 40 CA GLU A 17 6.445 -2.492 -2.579 1.00 0.00 C ATOM 41 C GLU A 17 5.896 -1.866 -3.863 1.00 0.00 C ATOM 42 O GLU A 17 5.143 -0.894 -3.810 1.00 0.00 O ATOM 43 CB GLU A 17 7.490 -1.584 -1.928 1.00 0.00 C ATOM 44 CG GLU A 17 8.127 -2.264 -0.716 1.00 0.00 C ATOM 45 CD GLU A 17 9.497 -2.846 -1.070 1.00 0.00 C ATOM 46 OE1 GLU A 17 9.574 -3.941 -1.648 1.00 0.00 O ATOM 47 OE2 GLU A 17 10.505 -2.119 -0.726 1.00 0.00 O ATOM 0 H GLU A 17 8.014 -3.841 -2.902 1.00 0.00 H new ATOM 0 HA GLU A 17 5.623 -2.606 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.262 -1.332 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.023 -0.648 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.233 -1.544 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.473 -3.058 -0.355 1.00 0.00 H new ATOM 53 N ARG A 18 6.295 -2.446 -4.984 1.00 0.00 N ATOM 54 CA ARG A 18 5.853 -1.957 -6.279 1.00 0.00 C ATOM 55 C ARG A 18 4.424 -2.424 -6.565 1.00 0.00 C ATOM 56 O ARG A 18 3.587 -1.640 -7.007 1.00 0.00 O ATOM 57 CB ARG A 18 6.776 -2.446 -7.397 1.00 0.00 C ATOM 58 CG ARG A 18 7.843 -1.400 -7.725 1.00 0.00 C ATOM 59 CD ARG A 18 8.345 -1.560 -9.162 1.00 0.00 C ATOM 60 NE ARG A 18 9.565 -2.398 -9.180 1.00 0.00 N ATOM 61 CZ ARG A 18 10.812 -1.924 -8.973 1.00 0.00 C ATOM 62 NH1 ARG A 18 11.014 -0.612 -8.728 1.00 0.00 N ATOM 63 NH2 ARG A 18 11.829 -2.763 -9.012 1.00 0.00 N ATOM 0 H ARG A 18 6.920 -3.251 -5.023 1.00 0.00 H new ATOM 0 HA ARG A 18 5.883 -0.868 -6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.255 -3.378 -7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.189 -2.663 -8.289 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.431 -0.400 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.678 -1.497 -7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.571 -2.017 -9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.559 -0.582 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 18 9.457 -3.396 -9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.221 0.029 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.959 -0.262 -8.573 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.667 -3.753 -9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.778 -2.422 -8.858 1.00 0.00 H new ATOM 73 N GLN A 19 4.191 -3.702 -6.298 1.00 0.00 N ATOM 74 CA GLN A 19 2.878 -4.283 -6.522 1.00 0.00 C ATOM 75 C GLN A 19 1.895 -3.801 -5.451 1.00 0.00 C ATOM 76 O GLN A 19 0.768 -3.422 -5.765 1.00 0.00 O ATOM 77 CB GLN A 19 2.953 -5.811 -6.547 1.00 0.00 C ATOM 78 CG GLN A 19 3.094 -6.378 -5.133 1.00 0.00 C ATOM 79 CD GLN A 19 3.235 -7.900 -5.166 1.00 0.00 C ATOM 80 OE1 GLN A 19 2.874 -8.564 -6.124 1.00 0.00 O ATOM 81 NE2 GLN A 19 3.779 -8.417 -4.066 1.00 0.00 N ATOM 0 H GLN A 19 4.888 -4.349 -5.930 1.00 0.00 H new ATOM 0 HA GLN A 19 2.517 -3.952 -7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.056 -6.215 -7.016 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.801 -6.127 -7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.965 -5.939 -4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.223 -6.102 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.060 -7.805 -3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.915 -9.425 -3.990 1.00 0.00 H new ATOM 88 N VAL A 20 2.359 -3.831 -4.212 1.00 0.00 N ATOM 89 CA VAL A 20 1.535 -3.402 -3.094 1.00 0.00 C ATOM 90 C VAL A 20 1.168 -1.928 -3.272 1.00 0.00 C ATOM 91 O VAL A 20 -0.011 -1.579 -3.321 1.00 0.00 O ATOM 92 CB VAL A 20 2.256 -3.682 -1.774 1.00 0.00 C ATOM 93 CG1 VAL A 20 1.410 -3.232 -0.581 1.00 0.00 C ATOM 94 CG2 VAL A 20 2.628 -5.161 -1.656 1.00 0.00 C ATOM 0 H VAL A 20 3.295 -4.146 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 20 0.604 -3.968 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 20 3.179 -3.103 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.945 -3.442 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.218 -2.161 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.463 -3.771 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.139 -5.333 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.723 -5.768 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.287 -5.437 -2.479 1.00 0.00 H new ATOM 104 N LEU A 21 2.198 -1.102 -3.369 1.00 0.00 N ATOM 105 CA LEU A 21 2.000 0.328 -3.542 1.00 0.00 C ATOM 106 C LEU A 21 1.037 0.567 -4.707 1.00 0.00 C ATOM 107 O LEU A 21 0.304 1.554 -4.719 1.00 0.00 O ATOM 108 CB LEU A 21 3.344 1.042 -3.698 1.00 0.00 C ATOM 109 CG LEU A 21 3.293 2.570 -3.726 1.00 0.00 C ATOM 110 CD1 LEU A 21 2.395 3.109 -2.612 1.00 0.00 C ATOM 111 CD2 LEU A 21 4.700 3.167 -3.669 1.00 0.00 C ATOM 0 H LEU A 21 3.174 -1.395 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 21 1.540 0.759 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.993 0.735 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.811 0.697 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 21 2.851 2.880 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.376 4.198 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.384 2.723 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.784 2.790 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.635 4.255 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.192 2.851 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.277 2.821 -4.527 1.00 0.00 H new ATOM 122 N LYS A 22 1.071 -0.356 -5.659 1.00 0.00 N ATOM 123 CA LYS A 22 0.212 -0.258 -6.826 1.00 0.00 C ATOM 124 C LYS A 22 -1.248 -0.417 -6.393 1.00 0.00 C ATOM 125 O LYS A 22 -2.074 0.460 -6.644 1.00 0.00 O ATOM 126 CB LYS A 22 0.648 -1.256 -7.898 1.00 0.00 C ATOM 127 CG LYS A 22 1.329 -0.543 -9.067 1.00 0.00 C ATOM 128 CD LYS A 22 2.312 -1.474 -9.780 1.00 0.00 C ATOM 129 CE LYS A 22 1.970 -1.595 -11.267 1.00 0.00 C ATOM 130 NZ LYS A 22 2.530 -2.845 -11.828 1.00 0.00 N ATOM 0 H LYS A 22 1.680 -1.174 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 22 0.304 0.726 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.332 -1.985 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.219 -1.808 -8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.576 -0.194 -9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.857 0.338 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.327 -1.094 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.287 -2.460 -9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.888 -1.583 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.367 -0.736 -11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.289 -2.911 -12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.564 -2.842 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.131 -3.662 -11.322 1.00 0.00 H new ATOM 139 N LEU A 23 -1.521 -1.545 -5.753 1.00 0.00 N ATOM 140 CA LEU A 23 -2.867 -1.830 -5.282 1.00 0.00 C ATOM 141 C LEU A 23 -3.222 -0.868 -4.148 1.00 0.00 C ATOM 142 O LEU A 23 -4.341 -0.360 -4.089 1.00 0.00 O ATOM 143 CB LEU A 23 -2.997 -3.307 -4.900 1.00 0.00 C ATOM 144 CG LEU A 23 -2.050 -3.803 -3.807 1.00 0.00 C ATOM 145 CD1 LEU A 23 -2.407 -3.188 -2.452 1.00 0.00 C ATOM 146 CD2 LEU A 23 -2.026 -5.332 -3.753 1.00 0.00 C ATOM 0 H LEU A 23 -0.835 -2.272 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.593 -1.664 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.021 -3.489 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.834 -3.909 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.041 -3.474 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.718 -3.557 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.331 -2.102 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.426 -3.466 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.345 -5.658 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.028 -5.704 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.688 -5.725 -4.712 1.00 0.00 H new ATOM 157 N ILE A 24 -2.249 -0.647 -3.275 1.00 0.00 N ATOM 158 CA ILE A 24 -2.446 0.246 -2.147 1.00 0.00 C ATOM 159 C ILE A 24 -2.845 1.630 -2.660 1.00 0.00 C ATOM 160 O ILE A 24 -3.704 2.289 -2.074 1.00 0.00 O ATOM 161 CB ILE A 24 -1.206 0.256 -1.249 1.00 0.00 C ATOM 162 CG1 ILE A 24 -1.594 0.131 0.225 1.00 0.00 C ATOM 163 CG2 ILE A 24 -0.348 1.497 -1.514 1.00 0.00 C ATOM 164 CD1 ILE A 24 -0.829 -1.009 0.899 1.00 0.00 C ATOM 0 H ILE A 24 -1.323 -1.071 -3.327 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.264 -0.108 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.599 -0.615 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.385 1.068 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.666 -0.047 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.527 1.480 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.026 1.501 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.933 2.394 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.124 -1.076 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.059 -1.949 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.242 -0.816 0.835 1.00 0.00 H new ATOM 175 N ASP A 25 -2.204 2.031 -3.748 1.00 0.00 N ATOM 176 CA ASP A 25 -2.482 3.325 -4.347 1.00 0.00 C ATOM 177 C ASP A 25 -3.978 3.436 -4.641 1.00 0.00 C ATOM 178 O ASP A 25 -4.589 4.475 -4.396 1.00 0.00 O ATOM 179 CB ASP A 25 -1.726 3.496 -5.666 1.00 0.00 C ATOM 180 CG ASP A 25 -2.144 4.708 -6.499 1.00 0.00 C ATOM 181 OD1 ASP A 25 -2.809 5.629 -5.999 1.00 0.00 O ATOM 182 OD2 ASP A 25 -1.756 4.685 -7.729 1.00 0.00 O ATOM 0 H ASP A 25 -1.492 1.482 -4.230 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.162 4.096 -3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.661 3.573 -5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.865 2.597 -6.266 1.00 0.00 H new ATOM 187 N GLU A 26 -4.527 2.348 -5.165 1.00 0.00 N ATOM 188 CA GLU A 26 -5.942 2.310 -5.497 1.00 0.00 C ATOM 189 C GLU A 26 -6.780 2.156 -4.225 1.00 0.00 C ATOM 190 O GLU A 26 -7.817 2.804 -4.079 1.00 0.00 O ATOM 191 CB GLU A 26 -6.242 1.186 -6.490 1.00 0.00 C ATOM 192 CG GLU A 26 -6.996 1.720 -7.710 1.00 0.00 C ATOM 193 CD GLU A 26 -6.477 1.080 -8.998 1.00 0.00 C ATOM 194 OE1 GLU A 26 -5.305 1.272 -9.357 1.00 0.00 O ATOM 195 OE2 GLU A 26 -7.337 0.360 -9.636 1.00 0.00 O ATOM 0 H GLU A 26 -4.018 1.488 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.210 3.253 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.310 0.719 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.835 0.413 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.061 1.516 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.883 2.803 -7.767 1.00 0.00 H new ATOM 201 N GLY A 27 -6.301 1.296 -3.339 1.00 0.00 N ATOM 202 CA GLY A 27 -6.994 1.050 -2.086 1.00 0.00 C ATOM 203 C GLY A 27 -6.487 -0.231 -1.422 1.00 0.00 C ATOM 204 O GLY A 27 -5.344 -0.290 -0.968 1.00 0.00 O ATOM 0 H GLY A 27 -5.442 0.761 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.848 1.895 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.066 0.970 -2.269 1.00 0.00 H new ATOM 208 N TYR A 28 -7.360 -1.226 -1.385 1.00 0.00 N ATOM 209 CA TYR A 28 -7.014 -2.504 -0.783 1.00 0.00 C ATOM 210 C TYR A 28 -6.581 -2.325 0.673 1.00 0.00 C ATOM 211 O TYR A 28 -5.435 -2.605 1.023 1.00 0.00 O ATOM 212 CB TYR A 28 -5.833 -3.045 -1.592 1.00 0.00 C ATOM 213 CG TYR A 28 -6.151 -3.294 -3.068 1.00 0.00 C ATOM 214 CD1 TYR A 28 -6.344 -2.226 -3.921 1.00 0.00 C ATOM 215 CD2 TYR A 28 -6.245 -4.585 -3.544 1.00 0.00 C ATOM 216 CE1 TYR A 28 -6.643 -2.461 -5.310 1.00 0.00 C ATOM 217 CE2 TYR A 28 -6.543 -4.820 -4.933 1.00 0.00 C ATOM 218 CZ TYR A 28 -6.728 -3.746 -5.748 1.00 0.00 C ATOM 219 OH TYR A 28 -7.011 -3.967 -7.059 1.00 0.00 O ATOM 0 H TYR A 28 -8.306 -1.174 -1.762 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.871 -3.178 -0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.005 -2.339 -1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.494 -3.978 -1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.271 -1.215 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.095 -5.420 -2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.796 -1.635 -5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.618 -5.826 -5.319 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.884 -3.138 -7.565 1.00 0.00 H new ATOM 228 N THR A 29 -7.521 -1.858 1.483 1.00 0.00 N ATOM 229 CA THR A 29 -7.250 -1.638 2.895 1.00 0.00 C ATOM 230 C THR A 29 -6.248 -2.671 3.412 1.00 0.00 C ATOM 231 O THR A 29 -5.149 -2.318 3.839 1.00 0.00 O ATOM 232 CB THR A 29 -8.584 -1.659 3.640 1.00 0.00 C ATOM 233 OG1 THR A 29 -9.119 -2.950 3.359 1.00 0.00 O ATOM 234 CG2 THR A 29 -9.607 -0.694 3.038 1.00 0.00 C ATOM 0 H THR A 29 -8.470 -1.626 1.189 1.00 0.00 H new ATOM 0 HA THR A 29 -6.783 -0.667 3.063 1.00 0.00 H new ATOM 0 HB THR A 29 -8.418 -1.405 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.985 -3.050 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.536 -0.749 3.605 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.216 0.323 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.798 -0.967 2.000 1.00 0.00 H new ATOM 242 N ASN A 30 -6.663 -3.930 3.359 1.00 0.00 N ATOM 243 CA ASN A 30 -5.815 -5.017 3.818 1.00 0.00 C ATOM 244 C ASN A 30 -6.361 -6.343 3.287 1.00 0.00 C ATOM 245 O ASN A 30 -5.599 -7.190 2.822 1.00 0.00 O ATOM 246 CB ASN A 30 -5.796 -5.093 5.347 1.00 0.00 C ATOM 247 CG ASN A 30 -5.267 -3.791 5.953 1.00 0.00 C ATOM 248 OD1 ASN A 30 -5.995 -2.836 6.167 1.00 0.00 O ATOM 249 ND2 ASN A 30 -3.964 -3.809 6.219 1.00 0.00 N ATOM 0 H ASN A 30 -7.575 -4.220 3.005 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.805 -4.833 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.802 -5.289 5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.171 -5.927 5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.516 -2.989 6.628 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.413 -4.643 6.014 1.00 0.00 H new ATOM 255 N HIS A 31 -7.676 -6.480 3.370 1.00 0.00 N ATOM 256 CA HIS A 31 -8.334 -7.689 2.903 1.00 0.00 C ATOM 257 C HIS A 31 -8.159 -7.815 1.388 1.00 0.00 C ATOM 258 O HIS A 31 -7.843 -8.890 0.881 1.00 0.00 O ATOM 259 CB HIS A 31 -9.800 -7.712 3.335 1.00 0.00 C ATOM 260 CG HIS A 31 -10.565 -8.923 2.853 1.00 0.00 C ATOM 261 ND1 HIS A 31 -10.873 -9.132 1.520 1.00 0.00 N ATOM 262 CD2 HIS A 31 -11.077 -9.985 3.538 1.00 0.00 C ATOM 263 CE1 HIS A 31 -11.542 -10.272 1.420 1.00 0.00 C ATOM 264 NE2 HIS A 31 -11.669 -10.798 2.673 1.00 0.00 N ATOM 0 H HIS A 31 -8.304 -5.774 3.754 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.868 -8.561 3.362 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.848 -7.675 4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.292 -6.813 2.963 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -10.627 -8.514 0.746 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.012 -10.138 4.605 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.920 -10.708 0.507 1.00 0.00 H new ATOM 271 N GLY A 32 -8.374 -6.700 0.706 1.00 0.00 N ATOM 272 CA GLY A 32 -8.247 -6.670 -0.742 1.00 0.00 C ATOM 273 C GLY A 32 -6.824 -7.038 -1.174 1.00 0.00 C ATOM 274 O GLY A 32 -6.631 -7.957 -1.967 1.00 0.00 O ATOM 0 H GLY A 32 -8.636 -5.810 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.958 -7.366 -1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.498 -5.676 -1.113 1.00 0.00 H new ATOM 278 N ILE A 33 -5.867 -6.300 -0.631 1.00 0.00 N ATOM 279 CA ILE A 33 -4.469 -6.537 -0.949 1.00 0.00 C ATOM 280 C ILE A 33 -4.164 -8.029 -0.811 1.00 0.00 C ATOM 281 O ILE A 33 -3.396 -8.585 -1.595 1.00 0.00 O ATOM 282 CB ILE A 33 -3.566 -5.642 -0.098 1.00 0.00 C ATOM 283 CG1 ILE A 33 -2.089 -5.907 -0.400 1.00 0.00 C ATOM 284 CG2 ILE A 33 -3.885 -5.802 1.390 1.00 0.00 C ATOM 285 CD1 ILE A 33 -1.197 -4.870 0.283 1.00 0.00 C ATOM 0 H ILE A 33 -6.032 -5.538 0.027 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.263 -6.265 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.766 -4.603 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.818 -6.906 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.924 -5.882 -1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.230 -5.156 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.924 -5.525 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.729 -6.839 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.153 -5.080 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.455 -3.874 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.347 -4.915 1.362 1.00 0.00 H new ATOM 296 N SER A 34 -4.782 -8.636 0.192 1.00 0.00 N ATOM 297 CA SER A 34 -4.587 -10.054 0.443 1.00 0.00 C ATOM 298 C SER A 34 -5.126 -10.873 -0.732 1.00 0.00 C ATOM 299 O SER A 34 -4.503 -11.847 -1.151 1.00 0.00 O ATOM 300 CB SER A 34 -5.268 -10.482 1.745 1.00 0.00 C ATOM 301 OG SER A 34 -6.633 -10.836 1.543 1.00 0.00 O ATOM 0 H SER A 34 -5.418 -8.172 0.840 1.00 0.00 H new ATOM 0 HA SER A 34 -3.518 -10.239 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.733 -11.330 2.172 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.208 -9.670 2.469 1.00 0.00 H new ATOM 0 HG SER A 34 -7.193 -10.036 1.620 1.00 0.00 H new ATOM 306 N GLU A 35 -6.278 -10.448 -1.228 1.00 0.00 N ATOM 307 CA GLU A 35 -6.907 -11.131 -2.346 1.00 0.00 C ATOM 308 C GLU A 35 -6.179 -10.798 -3.650 1.00 0.00 C ATOM 309 O GLU A 35 -6.358 -11.480 -4.657 1.00 0.00 O ATOM 310 CB GLU A 35 -8.392 -10.772 -2.442 1.00 0.00 C ATOM 311 CG GLU A 35 -9.172 -11.859 -3.184 1.00 0.00 C ATOM 312 CD GLU A 35 -9.386 -13.084 -2.293 1.00 0.00 C ATOM 313 OE1 GLU A 35 -9.792 -12.942 -1.130 1.00 0.00 O ATOM 314 OE2 GLU A 35 -9.118 -14.217 -2.850 1.00 0.00 O ATOM 0 H GLU A 35 -6.792 -9.640 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.835 -12.205 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.804 -10.643 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.507 -9.820 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.136 -11.465 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.631 -12.150 -4.084 1.00 0.00 H new ATOM 320 N LYS A 36 -5.372 -9.749 -3.589 1.00 0.00 N ATOM 321 CA LYS A 36 -4.615 -9.317 -4.751 1.00 0.00 C ATOM 322 C LYS A 36 -3.262 -10.031 -4.767 1.00 0.00 C ATOM 323 O LYS A 36 -2.939 -10.737 -5.721 1.00 0.00 O ATOM 324 CB LYS A 36 -4.506 -7.792 -4.784 1.00 0.00 C ATOM 325 CG LYS A 36 -3.799 -7.320 -6.056 1.00 0.00 C ATOM 326 CD LYS A 36 -4.315 -5.948 -6.494 1.00 0.00 C ATOM 327 CE LYS A 36 -3.438 -5.359 -7.600 1.00 0.00 C ATOM 328 NZ LYS A 36 -3.984 -4.063 -8.061 1.00 0.00 N ATOM 0 H LYS A 36 -5.226 -9.185 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.134 -9.595 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.502 -7.352 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.958 -7.444 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.724 -7.269 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.958 -8.044 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.342 -6.038 -6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.331 -5.272 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.421 -5.221 -7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.382 -6.055 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.035 -4.058 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.937 -3.928 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.364 -3.292 -7.741 1.00 0.00 H new ATOM 337 N LEU A 37 -2.505 -9.821 -3.698 1.00 0.00 N ATOM 338 CA LEU A 37 -1.195 -10.435 -3.578 1.00 0.00 C ATOM 339 C LEU A 37 -1.357 -11.896 -3.151 1.00 0.00 C ATOM 340 O LEU A 37 -0.818 -12.797 -3.792 1.00 0.00 O ATOM 341 CB LEU A 37 -0.303 -9.617 -2.641 1.00 0.00 C ATOM 342 CG LEU A 37 -0.424 -8.096 -2.759 1.00 0.00 C ATOM 343 CD1 LEU A 37 0.498 -7.394 -1.762 1.00 0.00 C ATOM 344 CD2 LEU A 37 -0.172 -7.636 -4.196 1.00 0.00 C ATOM 0 H LEU A 37 -2.775 -9.234 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.687 -10.438 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.532 -9.901 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.735 -9.895 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.446 -7.814 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.393 -6.314 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.228 -7.688 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.532 -7.678 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.264 -6.551 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.832 -7.931 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.904 -8.097 -4.859 1.00 0.00 H new ATOM 355 N HIS A 38 -2.103 -12.084 -2.073 1.00 0.00 N ATOM 356 CA HIS A 38 -2.344 -13.420 -1.553 1.00 0.00 C ATOM 357 C HIS A 38 -2.714 -13.335 -0.071 1.00 0.00 C ATOM 358 O HIS A 38 -2.131 -12.549 0.674 1.00 0.00 O ATOM 359 CB HIS A 38 -1.141 -14.329 -1.813 1.00 0.00 C ATOM 360 CG HIS A 38 -1.284 -15.201 -3.038 1.00 0.00 C ATOM 361 ND1 HIS A 38 -0.330 -15.246 -4.041 1.00 0.00 N ATOM 362 CD2 HIS A 38 -2.275 -16.060 -3.409 1.00 0.00 C ATOM 363 CE1 HIS A 38 -0.741 -16.098 -4.969 1.00 0.00 C ATOM 364 NE2 HIS A 38 -1.947 -16.600 -4.577 1.00 0.00 N ATOM 0 H HIS A 38 -2.549 -11.334 -1.545 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.187 -13.872 -2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.249 -13.712 -1.921 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.985 -14.966 -0.942 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.175 -16.266 -2.848 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.213 -16.351 -5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.505 -17.278 -5.095 1.00 0.00 H new ATOM 371 N ILE A 39 -3.682 -14.156 0.312 1.00 0.00 N ATOM 372 CA ILE A 39 -4.136 -14.184 1.691 1.00 0.00 C ATOM 373 C ILE A 39 -2.924 -14.137 2.624 1.00 0.00 C ATOM 374 O ILE A 39 -2.240 -15.143 2.810 1.00 0.00 O ATOM 375 CB ILE A 39 -5.050 -15.387 1.931 1.00 0.00 C ATOM 376 CG1 ILE A 39 -5.613 -15.374 3.353 1.00 0.00 C ATOM 377 CG2 ILE A 39 -4.325 -16.696 1.613 1.00 0.00 C ATOM 378 CD1 ILE A 39 -7.043 -14.827 3.370 1.00 0.00 C ATOM 0 H ILE A 39 -4.164 -14.806 -0.309 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.742 -13.305 1.910 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.898 -15.314 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.601 -16.384 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.978 -14.763 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.996 -17.536 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.014 -16.695 0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.447 -16.790 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.421 -14.828 4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.047 -13.808 2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.680 -15.455 2.747 1.00 0.00 H new ATOM 389 N SER A 40 -2.695 -12.960 3.187 1.00 0.00 N ATOM 390 CA SER A 40 -1.578 -12.769 4.096 1.00 0.00 C ATOM 391 C SER A 40 -1.520 -11.311 4.557 1.00 0.00 C ATOM 392 O SER A 40 -0.489 -10.654 4.425 1.00 0.00 O ATOM 393 CB SER A 40 -0.256 -13.168 3.436 1.00 0.00 C ATOM 394 OG SER A 40 0.608 -13.850 4.340 1.00 0.00 O ATOM 0 H SER A 40 -3.265 -12.128 3.031 1.00 0.00 H new ATOM 0 HA SER A 40 -1.730 -13.412 4.963 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.458 -13.807 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.245 -12.276 3.059 1.00 0.00 H new ATOM 0 HG SER A 40 1.366 -14.228 3.846 1.00 0.00 H new ATOM 399 N ILE A 41 -2.642 -10.848 5.089 1.00 0.00 N ATOM 400 CA ILE A 41 -2.732 -9.481 5.570 1.00 0.00 C ATOM 401 C ILE A 41 -1.488 -9.152 6.396 1.00 0.00 C ATOM 402 O ILE A 41 -1.034 -8.008 6.413 1.00 0.00 O ATOM 403 CB ILE A 41 -4.047 -9.264 6.325 1.00 0.00 C ATOM 404 CG1 ILE A 41 -5.242 -9.325 5.373 1.00 0.00 C ATOM 405 CG2 ILE A 41 -4.013 -7.958 7.120 1.00 0.00 C ATOM 406 CD1 ILE A 41 -6.502 -8.767 6.038 1.00 0.00 C ATOM 0 H ILE A 41 -3.496 -11.396 5.197 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.752 -8.783 4.733 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.167 -10.075 7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.021 -8.757 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.415 -10.357 5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.958 -7.828 7.647 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.197 -7.993 7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.859 -7.121 6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.337 -8.822 5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.734 -9.353 6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.334 -7.728 6.321 1.00 0.00 H new ATOM 417 N LYS A 42 -0.971 -10.173 7.062 1.00 0.00 N ATOM 418 CA LYS A 42 0.213 -10.008 7.888 1.00 0.00 C ATOM 419 C LYS A 42 1.409 -9.671 6.996 1.00 0.00 C ATOM 420 O LYS A 42 2.188 -8.772 7.309 1.00 0.00 O ATOM 421 CB LYS A 42 0.430 -11.241 8.768 1.00 0.00 C ATOM 422 CG LYS A 42 -0.091 -11.000 10.186 1.00 0.00 C ATOM 423 CD LYS A 42 -0.499 -12.316 10.850 1.00 0.00 C ATOM 424 CE LYS A 42 0.213 -12.498 12.193 1.00 0.00 C ATOM 425 NZ LYS A 42 0.485 -13.931 12.445 1.00 0.00 N ATOM 0 H LYS A 42 -1.351 -11.120 7.047 1.00 0.00 H new ATOM 0 HA LYS A 42 0.083 -9.173 8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.080 -12.099 8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.492 -11.485 8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.679 -10.511 10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.946 -10.324 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.578 -12.331 11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.258 -13.150 10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.148 -11.938 12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.402 -12.092 12.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.968 -14.037 13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.412 -14.456 12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.090 -14.308 11.688 1.00 0.00 H new ATOM 434 N THR A 43 1.517 -10.410 5.901 1.00 0.00 N ATOM 435 CA THR A 43 2.606 -10.201 4.961 1.00 0.00 C ATOM 436 C THR A 43 2.588 -8.762 4.439 1.00 0.00 C ATOM 437 O THR A 43 3.639 -8.138 4.295 1.00 0.00 O ATOM 438 CB THR A 43 2.483 -11.250 3.856 1.00 0.00 C ATOM 439 OG1 THR A 43 3.832 -11.596 3.553 1.00 0.00 O ATOM 440 CG2 THR A 43 1.946 -10.665 2.548 1.00 0.00 C ATOM 0 H THR A 43 0.868 -11.154 5.644 1.00 0.00 H new ATOM 0 HA THR A 43 3.576 -10.328 5.442 1.00 0.00 H new ATOM 0 HB THR A 43 1.826 -12.053 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.845 -12.274 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.879 -11.453 1.798 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.957 -10.241 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.620 -9.884 2.195 1.00 0.00 H new ATOM 448 N VAL A 44 1.385 -8.279 4.166 1.00 0.00 N ATOM 449 CA VAL A 44 1.219 -6.927 3.664 1.00 0.00 C ATOM 450 C VAL A 44 1.903 -5.944 4.614 1.00 0.00 C ATOM 451 O VAL A 44 2.562 -5.004 4.173 1.00 0.00 O ATOM 452 CB VAL A 44 -0.268 -6.624 3.459 1.00 0.00 C ATOM 453 CG1 VAL A 44 -0.548 -5.128 3.611 1.00 0.00 C ATOM 454 CG2 VAL A 44 -0.750 -7.137 2.101 1.00 0.00 C ATOM 0 H VAL A 44 0.516 -8.800 4.283 1.00 0.00 H new ATOM 0 HA VAL A 44 1.697 -6.821 2.690 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.827 -7.150 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.611 -4.940 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.260 -4.804 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.027 -4.573 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.809 -6.909 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.182 -6.653 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.603 -8.216 2.046 1.00 0.00 H new ATOM 464 N GLU A 45 1.724 -6.194 5.903 1.00 0.00 N ATOM 465 CA GLU A 45 2.316 -5.343 6.920 1.00 0.00 C ATOM 466 C GLU A 45 3.828 -5.234 6.708 1.00 0.00 C ATOM 467 O GLU A 45 4.383 -4.137 6.718 1.00 0.00 O ATOM 468 CB GLU A 45 1.998 -5.863 8.324 1.00 0.00 C ATOM 469 CG GLU A 45 2.433 -4.858 9.393 1.00 0.00 C ATOM 470 CD GLU A 45 1.443 -4.837 10.559 1.00 0.00 C ATOM 471 OE1 GLU A 45 1.176 -5.884 11.166 1.00 0.00 O ATOM 472 OE2 GLU A 45 0.945 -3.678 10.830 1.00 0.00 O ATOM 0 H GLU A 45 1.177 -6.975 6.266 1.00 0.00 H new ATOM 0 HA GLU A 45 1.882 -4.347 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.928 -6.052 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.505 -6.814 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.426 -5.118 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.505 -3.863 8.954 1.00 0.00 H new ATOM 478 N THR A 46 4.452 -6.388 6.519 1.00 0.00 N ATOM 479 CA THR A 46 5.888 -6.437 6.302 1.00 0.00 C ATOM 480 C THR A 46 6.285 -5.513 5.150 1.00 0.00 C ATOM 481 O THR A 46 7.354 -4.904 5.178 1.00 0.00 O ATOM 482 CB THR A 46 6.284 -7.897 6.076 1.00 0.00 C ATOM 483 OG1 THR A 46 6.203 -8.484 7.370 1.00 0.00 O ATOM 484 CG2 THR A 46 7.754 -8.052 5.687 1.00 0.00 C ATOM 0 H THR A 46 3.989 -7.297 6.512 1.00 0.00 H new ATOM 0 HA THR A 46 6.432 -6.070 7.173 1.00 0.00 H new ATOM 0 HB THR A 46 5.656 -8.326 5.295 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.443 -9.433 7.314 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.982 -9.108 5.539 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.945 -7.506 4.763 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.385 -7.653 6.481 1.00 0.00 H new ATOM 492 N HIS A 47 5.403 -5.436 4.164 1.00 0.00 N ATOM 493 CA HIS A 47 5.649 -4.597 3.004 1.00 0.00 C ATOM 494 C HIS A 47 5.480 -3.126 3.390 1.00 0.00 C ATOM 495 O HIS A 47 6.199 -2.263 2.889 1.00 0.00 O ATOM 496 CB HIS A 47 4.751 -5.011 1.834 1.00 0.00 C ATOM 497 CG HIS A 47 4.608 -6.504 1.670 1.00 0.00 C ATOM 498 ND1 HIS A 47 5.274 -7.414 2.470 1.00 0.00 N ATOM 499 CD2 HIS A 47 3.869 -7.236 0.786 1.00 0.00 C ATOM 500 CE1 HIS A 47 4.944 -8.637 2.079 1.00 0.00 C ATOM 501 NE2 HIS A 47 4.073 -8.524 1.034 1.00 0.00 N ATOM 0 H HIS A 47 4.517 -5.941 4.145 1.00 0.00 H new ATOM 0 HA HIS A 47 6.676 -4.732 2.664 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.762 -4.575 1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.155 -4.591 0.913 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.227 -6.835 0.015 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.301 -9.560 2.511 1.00 0.00 H new ATOM 0 HE2 HIS A 47 3.649 -9.301 0.527 1.00 0.00 H new ATOM 508 N ARG A 48 4.525 -2.886 4.276 1.00 0.00 N ATOM 509 CA ARG A 48 4.252 -1.534 4.735 1.00 0.00 C ATOM 510 C ARG A 48 5.553 -0.840 5.140 1.00 0.00 C ATOM 511 O ARG A 48 5.779 0.318 4.790 1.00 0.00 O ATOM 512 CB ARG A 48 3.292 -1.541 5.925 1.00 0.00 C ATOM 513 CG ARG A 48 2.924 -0.113 6.341 1.00 0.00 C ATOM 514 CD ARG A 48 2.952 0.039 7.862 1.00 0.00 C ATOM 515 NE ARG A 48 4.241 0.625 8.288 1.00 0.00 N ATOM 516 CZ ARG A 48 4.540 0.955 9.564 1.00 0.00 C ATOM 517 NH1 ARG A 48 3.639 0.756 10.549 1.00 0.00 N ATOM 518 NH2 ARG A 48 5.725 1.472 9.831 1.00 0.00 N ATOM 0 H ARG A 48 3.930 -3.605 4.689 1.00 0.00 H new ATOM 0 HA ARG A 48 3.788 -0.990 3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.388 -2.092 5.665 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.752 -2.061 6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.621 0.592 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.931 0.135 5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.129 0.675 8.187 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.811 -0.933 8.335 1.00 0.00 H new ATOM 0 HE ARG A 48 4.950 0.791 7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.727 0.355 10.332 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.870 1.007 11.510 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.399 1.617 9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.966 1.726 10.789 1.00 0.00 H new ATOM 528 N MET A 49 6.377 -1.575 5.874 1.00 0.00 N ATOM 529 CA MET A 49 7.649 -1.044 6.330 1.00 0.00 C ATOM 530 C MET A 49 8.638 -0.912 5.170 1.00 0.00 C ATOM 531 O MET A 49 9.377 0.067 5.089 1.00 0.00 O ATOM 532 CB MET A 49 8.236 -1.970 7.398 1.00 0.00 C ATOM 533 CG MET A 49 8.593 -1.190 8.664 1.00 0.00 C ATOM 534 SD MET A 49 9.091 -2.318 9.956 1.00 0.00 S ATOM 535 CE MET A 49 10.749 -2.696 9.413 1.00 0.00 C ATOM 0 H MET A 49 6.187 -2.534 6.164 1.00 0.00 H new ATOM 0 HA MET A 49 7.477 -0.053 6.750 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.518 -2.753 7.640 1.00 0.00 H new ATOM 0 HB3 MET A 49 9.126 -2.463 7.007 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.399 -0.487 8.453 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.736 -0.603 8.993 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.271 -3.247 10.195 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.706 -3.302 8.508 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.283 -1.769 9.204 1.00 0.00 H new ATOM 543 N ASN A 50 8.616 -1.912 4.300 1.00 0.00 N ATOM 544 CA ASN A 50 9.501 -1.920 3.148 1.00 0.00 C ATOM 545 C ASN A 50 9.283 -0.642 2.335 1.00 0.00 C ATOM 546 O ASN A 50 10.241 0.037 1.971 1.00 0.00 O ATOM 547 CB ASN A 50 9.211 -3.115 2.239 1.00 0.00 C ATOM 548 CG ASN A 50 9.589 -4.431 2.924 1.00 0.00 C ATOM 549 OD1 ASN A 50 10.119 -4.457 4.022 1.00 0.00 O ATOM 550 ND2 ASN A 50 9.290 -5.514 2.215 1.00 0.00 N ATOM 0 H ASN A 50 7.999 -2.722 4.370 1.00 0.00 H new ATOM 0 HA ASN A 50 10.527 -1.985 3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.153 -3.128 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.769 -3.012 1.308 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.504 -6.440 2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.846 -5.419 1.302 1.00 0.00 H new ATOM 556 N MET A 51 8.017 -0.355 2.073 1.00 0.00 N ATOM 557 CA MET A 51 7.660 0.829 1.309 1.00 0.00 C ATOM 558 C MET A 51 8.222 2.093 1.963 1.00 0.00 C ATOM 559 O MET A 51 8.754 2.966 1.279 1.00 0.00 O ATOM 560 CB MET A 51 6.137 0.937 1.214 1.00 0.00 C ATOM 561 CG MET A 51 5.554 -0.230 0.415 1.00 0.00 C ATOM 562 SD MET A 51 4.241 -1.007 1.340 1.00 0.00 S ATOM 563 CE MET A 51 2.981 0.249 1.205 1.00 0.00 C ATOM 0 H MET A 51 7.225 -0.922 2.376 1.00 0.00 H new ATOM 0 HA MET A 51 8.089 0.737 0.311 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.706 0.948 2.215 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.864 1.880 0.739 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.174 0.128 -0.542 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.335 -0.958 0.196 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.042 -0.133 1.607 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.285 1.131 1.768 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.845 0.517 0.157 1.00 0.00 H new ATOM 571 N MET A 52 8.085 2.151 3.279 1.00 0.00 N ATOM 572 CA MET A 52 8.572 3.293 4.033 1.00 0.00 C ATOM 573 C MET A 52 10.095 3.252 4.168 1.00 0.00 C ATOM 574 O MET A 52 10.699 4.175 4.712 1.00 0.00 O ATOM 575 CB MET A 52 7.935 3.295 5.425 1.00 0.00 C ATOM 576 CG MET A 52 6.409 3.286 5.330 1.00 0.00 C ATOM 577 SD MET A 52 5.826 4.845 4.684 1.00 0.00 S ATOM 578 CE MET A 52 5.151 4.302 3.123 1.00 0.00 C ATOM 0 H MET A 52 7.643 1.425 3.843 1.00 0.00 H new ATOM 0 HA MET A 52 8.298 4.202 3.497 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.273 2.423 5.985 1.00 0.00 H new ATOM 0 HB3 MET A 52 8.263 4.175 5.978 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.082 2.471 4.685 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.977 3.107 6.314 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.777 4.668 2.309 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.123 3.213 3.098 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.140 4.694 3.008 1.00 0.00 H new ATOM 586 N ARG A 53 10.672 2.171 3.666 1.00 0.00 N ATOM 587 CA ARG A 53 12.114 1.997 3.724 1.00 0.00 C ATOM 588 C ARG A 53 12.769 2.578 2.469 1.00 0.00 C ATOM 589 O ARG A 53 13.808 3.234 2.553 1.00 0.00 O ATOM 590 CB ARG A 53 12.486 0.519 3.847 1.00 0.00 C ATOM 591 CG ARG A 53 13.894 0.354 4.421 1.00 0.00 C ATOM 592 CD ARG A 53 13.878 -0.529 5.670 1.00 0.00 C ATOM 593 NE ARG A 53 15.104 -1.356 5.724 1.00 0.00 N ATOM 594 CZ ARG A 53 15.389 -2.224 6.718 1.00 0.00 C ATOM 595 NH1 ARG A 53 14.537 -2.385 7.751 1.00 0.00 N ATOM 596 NH2 ARG A 53 16.514 -2.912 6.663 1.00 0.00 N ATOM 0 H ARG A 53 10.168 1.406 3.217 1.00 0.00 H new ATOM 0 HA ARG A 53 12.477 2.525 4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.766 0.011 4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.431 0.044 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.548 -0.087 3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.306 1.332 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.809 0.092 6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.997 -1.171 5.660 1.00 0.00 H new ATOM 0 HE ARG A 53 15.776 -1.264 4.962 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.670 -1.849 7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.760 -3.043 8.498 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.152 -2.784 5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.745 -3.572 7.406 1.00 0.00 H new ATOM 606 N LYS A 54 12.137 2.317 1.334 1.00 0.00 N ATOM 607 CA LYS A 54 12.645 2.806 0.064 1.00 0.00 C ATOM 608 C LYS A 54 12.060 4.191 -0.215 1.00 0.00 C ATOM 609 O LYS A 54 12.792 5.121 -0.551 1.00 0.00 O ATOM 610 CB LYS A 54 12.378 1.789 -1.046 1.00 0.00 C ATOM 611 CG LYS A 54 13.417 0.665 -1.025 1.00 0.00 C ATOM 612 CD LYS A 54 14.805 1.194 -1.389 1.00 0.00 C ATOM 613 CE LYS A 54 15.742 1.150 -0.180 1.00 0.00 C ATOM 614 NZ LYS A 54 16.161 -0.240 0.102 1.00 0.00 N ATOM 0 H LYS A 54 11.277 1.773 1.268 1.00 0.00 H new ATOM 0 HA LYS A 54 13.728 2.921 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.380 1.368 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.398 2.289 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.446 0.210 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.126 -0.117 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.224 0.599 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.724 2.218 -1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.619 1.769 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.239 1.568 0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.796 -0.251 0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.323 -0.821 0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.659 -0.627 -0.725 1.00 0.00 H new ATOM 623 N LEU A 55 10.748 4.285 -0.067 1.00 0.00 N ATOM 624 CA LEU A 55 10.056 5.541 -0.300 1.00 0.00 C ATOM 625 C LEU A 55 10.420 6.531 0.808 1.00 0.00 C ATOM 626 O LEU A 55 10.868 7.642 0.530 1.00 0.00 O ATOM 627 CB LEU A 55 8.551 5.306 -0.443 1.00 0.00 C ATOM 628 CG LEU A 55 8.126 4.344 -1.556 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.518 3.066 -0.973 1.00 0.00 C ATOM 630 CD2 LEU A 55 7.179 5.032 -2.541 1.00 0.00 C ATOM 0 H LEU A 55 10.145 3.511 0.212 1.00 0.00 H new ATOM 0 HA LEU A 55 10.377 5.983 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.171 4.925 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.068 6.268 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 55 9.015 4.051 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.224 2.400 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.254 2.568 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.642 3.319 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.892 4.328 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.288 5.371 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.682 5.888 -2.991 1.00 0.00 H new ATOM 641 N GLN A 56 10.214 6.093 2.042 1.00 0.00 N ATOM 642 CA GLN A 56 10.516 6.927 3.192 1.00 0.00 C ATOM 643 C GLN A 56 9.325 7.832 3.517 1.00 0.00 C ATOM 644 O GLN A 56 9.506 8.976 3.933 1.00 0.00 O ATOM 645 CB GLN A 56 11.782 7.752 2.955 1.00 0.00 C ATOM 646 CG GLN A 56 12.854 6.920 2.250 1.00 0.00 C ATOM 647 CD GLN A 56 14.177 6.963 3.016 1.00 0.00 C ATOM 648 OE1 GLN A 56 14.221 7.166 4.219 1.00 0.00 O ATOM 649 NE2 GLN A 56 15.250 6.762 2.256 1.00 0.00 N ATOM 0 H GLN A 56 9.842 5.171 2.270 1.00 0.00 H new ATOM 0 HA GLN A 56 10.701 6.278 4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.542 8.628 2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.167 8.116 3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.516 5.888 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.004 7.296 1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.142 6.598 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.180 6.772 2.674 1.00 0.00 H new ATOM 656 N VAL A 57 8.134 7.285 3.319 1.00 0.00 N ATOM 657 CA VAL A 57 6.916 8.028 3.586 1.00 0.00 C ATOM 658 C VAL A 57 6.522 7.843 5.052 1.00 0.00 C ATOM 659 O VAL A 57 7.385 7.754 5.924 1.00 0.00 O ATOM 660 CB VAL A 57 5.816 7.599 2.613 1.00 0.00 C ATOM 661 CG1 VAL A 57 4.815 8.732 2.382 1.00 0.00 C ATOM 662 CG2 VAL A 57 6.414 7.117 1.289 1.00 0.00 C ATOM 0 H VAL A 57 7.988 6.335 2.977 1.00 0.00 H new ATOM 0 HA VAL A 57 7.076 9.094 3.424 1.00 0.00 H new ATOM 0 HB VAL A 57 5.278 6.764 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.044 8.400 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.354 9.009 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.333 9.596 1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.611 6.818 0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.988 7.924 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.069 6.265 1.474 1.00 0.00 H new ATOM 672 N HIS A 58 5.216 7.791 5.280 1.00 0.00 N ATOM 673 CA HIS A 58 4.698 7.618 6.626 1.00 0.00 C ATOM 674 C HIS A 58 4.152 6.198 6.786 1.00 0.00 C ATOM 675 O HIS A 58 4.854 5.310 7.268 1.00 0.00 O ATOM 676 CB HIS A 58 3.658 8.694 6.949 1.00 0.00 C ATOM 677 CG HIS A 58 4.074 9.636 8.053 1.00 0.00 C ATOM 678 ND1 HIS A 58 3.633 10.947 8.125 1.00 0.00 N ATOM 679 CD2 HIS A 58 4.894 9.447 9.127 1.00 0.00 C ATOM 680 CE1 HIS A 58 4.169 11.511 9.198 1.00 0.00 C ATOM 681 NE2 HIS A 58 4.951 10.579 9.817 1.00 0.00 N ATOM 0 H HIS A 58 4.503 7.866 4.555 1.00 0.00 H new ATOM 0 HA HIS A 58 5.503 7.744 7.350 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.457 9.273 6.048 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.724 8.209 7.232 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.003 11.401 7.464 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.410 8.531 9.374 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.014 12.529 9.525 1.00 0.00 H new ATOM 688 N LYS A 59 2.905 6.028 6.373 1.00 0.00 N ATOM 689 CA LYS A 59 2.255 4.731 6.466 1.00 0.00 C ATOM 690 C LYS A 59 1.520 4.440 5.156 1.00 0.00 C ATOM 691 O LYS A 59 1.749 5.107 4.150 1.00 0.00 O ATOM 692 CB LYS A 59 1.360 4.667 7.703 1.00 0.00 C ATOM 693 CG LYS A 59 1.390 3.272 8.332 1.00 0.00 C ATOM 694 CD LYS A 59 1.608 3.356 9.843 1.00 0.00 C ATOM 695 CE LYS A 59 0.273 3.323 10.592 1.00 0.00 C ATOM 696 NZ LYS A 59 0.278 4.301 11.703 1.00 0.00 N ATOM 0 H LYS A 59 2.327 6.767 5.973 1.00 0.00 H new ATOM 0 HA LYS A 59 2.995 3.942 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.690 5.406 8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.337 4.924 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.453 2.756 8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.186 2.682 7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.234 2.526 10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.143 4.274 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.542 3.549 9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.093 2.321 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.635 4.266 12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.044 4.068 12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.428 5.257 11.323 1.00 0.00 H new ATOM 705 N VAL A 60 0.650 3.442 5.213 1.00 0.00 N ATOM 706 CA VAL A 60 -0.121 3.053 4.044 1.00 0.00 C ATOM 707 C VAL A 60 -0.957 4.244 3.572 1.00 0.00 C ATOM 708 O VAL A 60 -0.904 4.619 2.401 1.00 0.00 O ATOM 709 CB VAL A 60 -0.965 1.818 4.361 1.00 0.00 C ATOM 710 CG1 VAL A 60 -1.924 1.500 3.213 1.00 0.00 C ATOM 711 CG2 VAL A 60 -0.078 0.613 4.684 1.00 0.00 C ATOM 0 H VAL A 60 0.462 2.891 6.051 1.00 0.00 H new ATOM 0 HA VAL A 60 0.541 2.775 3.224 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.562 2.040 5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.512 0.617 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.591 2.347 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.353 1.309 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.705 -0.251 4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.558 0.390 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.545 0.841 5.549 1.00 0.00 H new ATOM 721 N THR A 61 -1.708 4.807 4.507 1.00 0.00 N ATOM 722 CA THR A 61 -2.555 5.948 4.202 1.00 0.00 C ATOM 723 C THR A 61 -1.753 7.024 3.470 1.00 0.00 C ATOM 724 O THR A 61 -2.215 7.577 2.473 1.00 0.00 O ATOM 725 CB THR A 61 -3.180 6.436 5.509 1.00 0.00 C ATOM 726 OG1 THR A 61 -3.646 7.747 5.203 1.00 0.00 O ATOM 727 CG2 THR A 61 -2.138 6.659 6.607 1.00 0.00 C ATOM 0 H THR A 61 -1.748 4.494 5.477 1.00 0.00 H new ATOM 0 HA THR A 61 -3.363 5.673 3.524 1.00 0.00 H new ATOM 0 HB THR A 61 -3.920 5.712 5.850 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.068 8.138 5.997 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.634 7.005 7.514 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.619 5.723 6.812 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.418 7.408 6.278 1.00 0.00 H new ATOM 735 N GLU A 62 -0.566 7.291 3.993 1.00 0.00 N ATOM 736 CA GLU A 62 0.305 8.294 3.403 1.00 0.00 C ATOM 737 C GLU A 62 0.630 7.927 1.953 1.00 0.00 C ATOM 738 O GLU A 62 0.530 8.767 1.061 1.00 0.00 O ATOM 739 CB GLU A 62 1.585 8.461 4.226 1.00 0.00 C ATOM 740 CG GLU A 62 2.182 9.857 4.033 1.00 0.00 C ATOM 741 CD GLU A 62 1.634 10.836 5.074 1.00 0.00 C ATOM 742 OE1 GLU A 62 1.277 10.422 6.187 1.00 0.00 O ATOM 743 OE2 GLU A 62 1.588 12.067 4.693 1.00 0.00 O ATOM 0 H GLU A 62 -0.186 6.830 4.820 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.218 9.250 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.367 8.297 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.313 7.706 3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.268 9.806 4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.952 10.219 3.031 1.00 0.00 H new ATOM 749 N LEU A 63 1.011 6.672 1.764 1.00 0.00 N ATOM 750 CA LEU A 63 1.351 6.184 0.439 1.00 0.00 C ATOM 751 C LEU A 63 0.143 6.353 -0.486 1.00 0.00 C ATOM 752 O LEU A 63 0.302 6.610 -1.678 1.00 0.00 O ATOM 753 CB LEU A 63 1.872 4.749 0.513 1.00 0.00 C ATOM 754 CG LEU A 63 3.382 4.573 0.340 1.00 0.00 C ATOM 755 CD1 LEU A 63 3.779 3.100 0.440 1.00 0.00 C ATOM 756 CD2 LEU A 63 3.861 5.208 -0.967 1.00 0.00 C ATOM 0 H LEU A 63 1.092 5.978 2.507 1.00 0.00 H new ATOM 0 HA LEU A 63 2.165 6.771 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.586 4.329 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.368 4.161 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 63 3.882 5.096 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.857 3.004 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.493 2.712 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.270 2.532 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.938 5.069 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.355 4.734 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.632 6.274 -0.959 1.00 0.00 H new ATOM 767 N LEU A 64 -1.036 6.200 0.099 1.00 0.00 N ATOM 768 CA LEU A 64 -2.269 6.333 -0.659 1.00 0.00 C ATOM 769 C LEU A 64 -2.381 7.760 -1.197 1.00 0.00 C ATOM 770 O LEU A 64 -2.969 7.984 -2.254 1.00 0.00 O ATOM 771 CB LEU A 64 -3.467 5.899 0.189 1.00 0.00 C ATOM 772 CG LEU A 64 -3.367 4.514 0.831 1.00 0.00 C ATOM 773 CD1 LEU A 64 -4.745 3.855 0.928 1.00 0.00 C ATOM 774 CD2 LEU A 64 -2.362 3.634 0.086 1.00 0.00 C ATOM 0 H LEU A 64 -1.164 5.985 1.088 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.260 5.667 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.613 6.635 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.359 5.924 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.995 4.635 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.646 2.872 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.403 4.476 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.168 3.748 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.311 2.656 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.680 3.516 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.378 4.103 0.113 1.00 0.00 H new ATOM 785 N ASN A 65 -1.809 8.689 -0.445 1.00 0.00 N ATOM 786 CA ASN A 65 -1.837 10.089 -0.834 1.00 0.00 C ATOM 787 C ASN A 65 -0.609 10.400 -1.692 1.00 0.00 C ATOM 788 O ASN A 65 -0.489 11.498 -2.235 1.00 0.00 O ATOM 789 CB ASN A 65 -1.801 11.002 0.393 1.00 0.00 C ATOM 790 CG ASN A 65 -1.502 12.447 -0.008 1.00 0.00 C ATOM 791 OD1 ASN A 65 -1.963 12.945 -1.023 1.00 0.00 O ATOM 792 ND2 ASN A 65 -0.707 13.092 0.842 1.00 0.00 N ATOM 0 H ASN A 65 -1.323 8.500 0.432 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.758 10.267 -1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.758 10.956 0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.041 10.650 1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.449 14.062 0.663 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.356 12.616 1.673 1.00 0.00 H new ATOM 798 N CYS A 66 0.272 9.416 -1.785 1.00 0.00 N ATOM 799 CA CYS A 66 1.487 9.572 -2.567 1.00 0.00 C ATOM 800 C CYS A 66 1.200 9.112 -3.998 1.00 0.00 C ATOM 801 O CYS A 66 1.323 9.891 -4.942 1.00 0.00 O ATOM 802 CB CYS A 66 2.661 8.810 -1.947 1.00 0.00 C ATOM 803 SG CYS A 66 3.357 9.763 -0.550 1.00 0.00 S ATOM 0 H CYS A 66 0.169 8.508 -1.332 1.00 0.00 H new ATOM 0 HA CYS A 66 1.784 10.621 -2.576 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.328 7.832 -1.600 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.431 8.637 -2.699 1.00 0.00 H new ATOM 0 HG CYS A 66 2.558 9.682 0.472 1.00 0.00 H new ATOM 808 N ALA A 67 0.824 7.847 -4.115 1.00 0.00 N ATOM 809 CA ALA A 67 0.517 7.273 -5.413 1.00 0.00 C ATOM 810 C ALA A 67 -0.659 8.029 -6.036 1.00 0.00 C ATOM 811 O ALA A 67 -0.559 8.525 -7.157 1.00 0.00 O ATOM 812 CB ALA A 67 0.233 5.778 -5.257 1.00 0.00 C ATOM 0 H ALA A 67 0.725 7.203 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 67 1.367 7.374 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.003 5.348 -6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.110 5.283 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.616 5.637 -4.588 1.00 0.00 H new ATOM 818 N ARG A 68 -1.746 8.092 -5.281 1.00 0.00 N ATOM 819 CA ARG A 68 -2.940 8.777 -5.744 1.00 0.00 C ATOM 820 C ARG A 68 -2.653 10.269 -5.935 1.00 0.00 C ATOM 821 O ARG A 68 -2.862 10.810 -7.021 1.00 0.00 O ATOM 822 CB ARG A 68 -4.091 8.610 -4.751 1.00 0.00 C ATOM 823 CG ARG A 68 -5.437 8.556 -5.477 1.00 0.00 C ATOM 824 CD ARG A 68 -6.424 9.561 -4.879 1.00 0.00 C ATOM 825 NE ARG A 68 -7.568 9.754 -5.799 1.00 0.00 N ATOM 826 CZ ARG A 68 -7.475 10.337 -7.012 1.00 0.00 C ATOM 827 NH1 ARG A 68 -6.288 10.792 -7.464 1.00 0.00 N ATOM 828 NH2 ARG A 68 -8.563 10.458 -7.749 1.00 0.00 N ATOM 0 H ARG A 68 -1.824 7.680 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.230 8.333 -6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.948 7.697 -4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.088 9.439 -4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.292 8.770 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.851 7.550 -5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.780 9.203 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.924 10.513 -4.702 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.485 9.425 -5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.452 10.696 -6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.227 11.232 -8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.457 10.113 -7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.510 10.896 -8.668 1.00 0.00 H new ATOM 838 N ARG A 69 -2.181 10.890 -4.866 1.00 0.00 N ATOM 839 CA ARG A 69 -1.865 12.308 -4.903 1.00 0.00 C ATOM 840 C ARG A 69 -3.138 13.131 -5.109 1.00 0.00 C ATOM 841 O ARG A 69 -3.255 13.867 -6.088 1.00 0.00 O ATOM 842 CB ARG A 69 -0.875 12.622 -6.027 1.00 0.00 C ATOM 843 CG ARG A 69 0.132 13.687 -5.589 1.00 0.00 C ATOM 844 CD ARG A 69 1.344 13.714 -6.523 1.00 0.00 C ATOM 845 NE ARG A 69 2.341 14.689 -6.031 1.00 0.00 N ATOM 846 CZ ARG A 69 3.530 14.923 -6.628 1.00 0.00 C ATOM 847 NH1 ARG A 69 3.878 14.254 -7.746 1.00 0.00 N ATOM 848 NH2 ARG A 69 4.346 15.817 -6.100 1.00 0.00 N ATOM 0 H ARG A 69 -2.009 10.438 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.409 12.571 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.346 11.713 -6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.417 12.969 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.348 14.666 -5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.459 13.485 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.791 12.722 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.030 13.981 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 69 2.117 15.218 -5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.242 13.565 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.778 14.437 -8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.075 16.318 -5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.248 16.006 -6.538 1.00 0.00 H new ATOM 858 N MET A 70 -4.061 12.979 -4.170 1.00 0.00 N ATOM 859 CA MET A 70 -5.321 13.699 -4.236 1.00 0.00 C ATOM 860 C MET A 70 -5.866 13.982 -2.835 1.00 0.00 C ATOM 861 O MET A 70 -6.314 15.091 -2.552 1.00 0.00 O ATOM 862 CB MET A 70 -6.341 12.873 -5.023 1.00 0.00 C ATOM 863 CG MET A 70 -7.322 13.779 -5.770 1.00 0.00 C ATOM 864 SD MET A 70 -7.027 13.682 -7.527 1.00 0.00 S ATOM 865 CE MET A 70 -8.635 14.159 -8.138 1.00 0.00 C ATOM 0 H MET A 70 -3.961 12.368 -3.360 1.00 0.00 H new ATOM 0 HA MET A 70 -5.147 14.651 -4.737 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.822 12.229 -5.733 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.889 12.221 -4.343 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.347 13.480 -5.548 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.209 14.809 -5.430 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.627 14.151 -9.228 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.385 13.456 -7.775 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.876 15.161 -7.784 1.00 0.00 H new ATOM 873 N ARG A 71 -5.808 12.958 -1.995 1.00 0.00 N ATOM 874 CA ARG A 71 -6.288 13.083 -0.630 1.00 0.00 C ATOM 875 C ARG A 71 -7.803 13.307 -0.619 1.00 0.00 C ATOM 876 O ARG A 71 -8.281 14.314 -0.098 1.00 0.00 O ATOM 877 CB ARG A 71 -5.603 14.245 0.092 1.00 0.00 C ATOM 878 CG ARG A 71 -4.087 14.047 0.133 1.00 0.00 C ATOM 879 CD ARG A 71 -3.467 14.807 1.307 1.00 0.00 C ATOM 880 NE ARG A 71 -3.817 14.141 2.582 1.00 0.00 N ATOM 881 CZ ARG A 71 -3.261 14.447 3.774 1.00 0.00 C ATOM 882 NH1 ARG A 71 -2.321 15.414 3.862 1.00 0.00 N ATOM 883 NH2 ARG A 71 -3.649 13.790 4.850 1.00 0.00 N ATOM 0 H ARG A 71 -5.436 12.039 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.049 12.156 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.838 15.181 -0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.990 14.326 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.858 12.985 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.646 14.392 -0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.384 14.847 1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.825 15.836 1.314 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.522 13.405 2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.028 15.918 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.905 15.640 4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.360 13.062 4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.238 14.010 5.757 1.00 0.00 H new ATOM 893 N LEU A 72 -8.515 12.352 -1.199 1.00 0.00 N ATOM 894 CA LEU A 72 -9.964 12.432 -1.264 1.00 0.00 C ATOM 895 C LEU A 72 -10.494 11.304 -2.151 1.00 0.00 C ATOM 896 O LEU A 72 -10.858 11.535 -3.303 1.00 0.00 O ATOM 897 CB LEU A 72 -10.404 13.826 -1.714 1.00 0.00 C ATOM 898 CG LEU A 72 -9.585 14.457 -2.842 1.00 0.00 C ATOM 899 CD1 LEU A 72 -10.304 14.315 -4.185 1.00 0.00 C ATOM 900 CD2 LEU A 72 -9.245 15.915 -2.523 1.00 0.00 C ATOM 0 H LEU A 72 -8.115 11.518 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.398 12.290 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.444 13.771 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.371 14.492 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.641 13.918 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.701 14.771 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.452 13.258 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.272 14.814 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.663 16.340 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.166 16.485 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.664 15.960 -1.602 1.00 0.00 H new ATOM 911 N ILE A 73 -10.520 10.109 -1.581 1.00 0.00 N ATOM 912 CA ILE A 73 -11.000 8.944 -2.306 1.00 0.00 C ATOM 913 C ILE A 73 -12.076 8.239 -1.477 1.00 0.00 C ATOM 914 O ILE A 73 -13.145 7.913 -1.991 1.00 0.00 O ATOM 915 CB ILE A 73 -9.831 8.035 -2.693 1.00 0.00 C ATOM 916 CG1 ILE A 73 -10.317 6.834 -3.507 1.00 0.00 C ATOM 917 CG2 ILE A 73 -9.035 7.607 -1.459 1.00 0.00 C ATOM 918 CD1 ILE A 73 -9.136 6.035 -4.065 1.00 0.00 C ATOM 0 H ILE A 73 -10.217 9.922 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.466 9.246 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 73 -9.154 8.604 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.932 6.190 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.948 7.177 -4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.211 6.962 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.639 8.490 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.688 7.064 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.509 5.187 -4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.536 6.676 -4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.520 5.673 -3.242 1.00 0.00 H new ATOM 929 N GLU A 74 -11.756 8.028 -0.208 1.00 0.00 N ATOM 930 CA GLU A 74 -12.683 7.369 0.696 1.00 0.00 C ATOM 931 C GLU A 74 -12.983 5.950 0.208 1.00 0.00 C ATOM 932 O GLU A 74 -14.122 5.491 0.283 1.00 0.00 O ATOM 933 CB GLU A 74 -13.971 8.181 0.848 1.00 0.00 C ATOM 934 CG GLU A 74 -14.109 8.729 2.270 1.00 0.00 C ATOM 935 CD GLU A 74 -15.030 9.951 2.299 1.00 0.00 C ATOM 936 OE1 GLU A 74 -16.221 9.822 2.620 1.00 0.00 O ATOM 937 OE2 GLU A 74 -14.466 11.065 1.975 1.00 0.00 O ATOM 0 H GLU A 74 -10.869 8.302 0.215 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.216 7.303 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.972 9.005 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.831 7.554 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.506 7.954 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.126 9.000 2.656 1.00 0.00 H new ATOM 943 N TYR A 75 -11.942 5.294 -0.282 1.00 0.00 N ATOM 944 CA TYR A 75 -12.080 3.937 -0.783 1.00 0.00 C ATOM 945 C TYR A 75 -12.532 2.986 0.327 1.00 0.00 C ATOM 946 O TYR A 75 -11.948 2.970 1.410 1.00 0.00 O ATOM 947 CB TYR A 75 -10.687 3.520 -1.260 1.00 0.00 C ATOM 948 CG TYR A 75 -10.684 2.302 -2.186 1.00 0.00 C ATOM 949 CD1 TYR A 75 -10.827 1.034 -1.660 1.00 0.00 C ATOM 950 CD2 TYR A 75 -10.542 2.472 -3.549 1.00 0.00 C ATOM 951 CE1 TYR A 75 -10.826 -0.111 -2.532 1.00 0.00 C ATOM 952 CE2 TYR A 75 -10.540 1.327 -4.420 1.00 0.00 C ATOM 953 CZ TYR A 75 -10.682 0.091 -3.869 1.00 0.00 C ATOM 954 OH TYR A 75 -10.681 -0.992 -4.692 1.00 0.00 O ATOM 0 H TYR A 75 -10.999 5.677 -0.343 1.00 0.00 H new ATOM 0 HA TYR A 75 -12.824 3.895 -1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.226 4.360 -1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -10.066 3.304 -0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.940 0.901 -0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.432 3.464 -3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.937 -1.109 -2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.428 1.446 -5.488 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.571 -0.697 -5.620 1.00 0.00 H new TER 963 TYR A 75