USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 792 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 77 THR OG1 : rot 180:sc= 0.369 USER MOD Set 1.2: A 100 THR OG1 : rot -69:sc= 0.387 USER MOD Set 2.1: A 39 SER OG : rot -39:sc= -2.38! USER MOD Set 2.2: A 87 LYS NZ :NH3+ -162:sc= 0.612 (180deg=0) USER MOD Set 3.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ -176:sc=-0.00621 (180deg=-0.0213) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 70:sc= -0.071 USER MOD Single : A 18 GLN : amide:sc= -0.332 X(o=-0.33,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 44 TYR OH : rot 180:sc= -1.42 USER MOD Single : A 45 SER OG : rot 140:sc= 0.387 USER MOD Single : A 48 MET CE :methyl -138:sc= -0.49 (180deg=-2.56!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00876) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.381 USER MOD Single : A 61 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.84) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00184 USER MOD Single : A 67 CYS SG : rot -146:sc= 0.0015 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -55:sc= 0.196 USER MOD Single : A 76 LYS NZ :NH3+ -115:sc= -1 (180deg=-3.49!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -12:sc= 0.821! USER MOD Single : A 86 ASN : amide:sc= -2.85! C(o=-2.8!,f=-14!) USER MOD Single : A 88 MET CE :methyl -99:sc= -3.02! (180deg=-4.45!) USER MOD Single : A 94 SER OG : rot 80:sc= -0.0825 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot -168:sc= 0.00527 USER MOD Single : A 101 THR OG1 : rot -157:sc= 0.573 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0431 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.772 29.031 5.363 1.00 0.00 N ATOM 2 CA GLY A 1 15.929 29.907 5.346 1.00 0.00 C ATOM 3 C GLY A 1 15.692 31.164 4.533 1.00 0.00 C ATOM 4 O GLY A 1 14.866 32.000 4.897 1.00 0.00 O ATOM 0 H1 GLY A 1 14.960 28.220 5.986 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.945 29.554 5.716 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.580 28.690 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.187 30.183 6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.783 29.368 4.936 1.00 0.00 H new ATOM 8 N SER A 2 16.421 31.300 3.430 1.00 0.00 N ATOM 9 CA SER A 2 16.291 32.467 2.566 1.00 0.00 C ATOM 10 C SER A 2 15.372 32.169 1.385 1.00 0.00 C ATOM 11 O SER A 2 14.383 32.867 1.162 1.00 0.00 O ATOM 12 CB SER A 2 17.665 32.909 2.059 1.00 0.00 C ATOM 13 OG SER A 2 17.657 34.277 1.691 1.00 0.00 O ATOM 0 H SER A 2 17.108 30.616 3.114 1.00 0.00 H new ATOM 0 HA SER A 2 15.851 33.274 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.413 32.742 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.953 32.300 1.202 1.00 0.00 H new ATOM 0 HG SER A 2 18.547 34.535 1.372 1.00 0.00 H new ATOM 19 N SER A 3 15.708 31.127 0.631 1.00 0.00 N ATOM 20 CA SER A 3 14.916 30.738 -0.530 1.00 0.00 C ATOM 21 C SER A 3 13.806 29.770 -0.131 1.00 0.00 C ATOM 22 O SER A 3 12.652 29.936 -0.521 1.00 0.00 O ATOM 23 CB SER A 3 15.811 30.095 -1.592 1.00 0.00 C ATOM 24 OG SER A 3 16.427 31.080 -2.404 1.00 0.00 O ATOM 0 H SER A 3 16.522 30.538 0.803 1.00 0.00 H new ATOM 0 HA SER A 3 14.459 31.637 -0.945 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.576 29.488 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.218 29.425 -2.214 1.00 0.00 H new ATOM 0 HG SER A 3 16.995 30.644 -3.073 1.00 0.00 H new ATOM 30 N GLY A 4 14.166 28.756 0.651 1.00 0.00 N ATOM 31 CA GLY A 4 13.191 27.775 1.090 1.00 0.00 C ATOM 32 C GLY A 4 13.835 26.483 1.550 1.00 0.00 C ATOM 33 O GLY A 4 14.126 25.604 0.739 1.00 0.00 O ATOM 0 H GLY A 4 15.115 28.597 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.601 28.194 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.501 27.563 0.273 1.00 0.00 H new ATOM 37 N SER A 5 14.060 26.367 2.855 1.00 0.00 N ATOM 38 CA SER A 5 14.679 25.174 3.421 1.00 0.00 C ATOM 39 C SER A 5 14.032 23.909 2.863 1.00 0.00 C ATOM 40 O SER A 5 12.968 23.963 2.246 1.00 0.00 O ATOM 41 CB SER A 5 14.564 25.189 4.946 1.00 0.00 C ATOM 42 OG SER A 5 15.652 24.507 5.546 1.00 0.00 O ATOM 0 H SER A 5 13.823 27.085 3.540 1.00 0.00 H new ATOM 0 HA SER A 5 15.733 25.175 3.143 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.536 26.219 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.627 24.722 5.248 1.00 0.00 H new ATOM 0 HG SER A 5 15.556 24.532 6.521 1.00 0.00 H new ATOM 48 N SER A 6 14.683 22.772 3.085 1.00 0.00 N ATOM 49 CA SER A 6 14.175 21.493 2.603 1.00 0.00 C ATOM 50 C SER A 6 13.456 20.739 3.717 1.00 0.00 C ATOM 51 O SER A 6 13.552 21.100 4.889 1.00 0.00 O ATOM 52 CB SER A 6 15.319 20.641 2.051 1.00 0.00 C ATOM 53 OG SER A 6 16.035 21.337 1.045 1.00 0.00 O ATOM 0 H SER A 6 15.564 22.710 3.596 1.00 0.00 H new ATOM 0 HA SER A 6 13.461 21.692 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.996 20.368 2.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.920 19.713 1.642 1.00 0.00 H new ATOM 0 HG SER A 6 16.762 20.771 0.710 1.00 0.00 H new ATOM 59 N GLY A 7 12.733 19.688 3.341 1.00 0.00 N ATOM 60 CA GLY A 7 12.007 18.899 4.318 1.00 0.00 C ATOM 61 C GLY A 7 11.381 17.658 3.713 1.00 0.00 C ATOM 62 O GLY A 7 11.736 17.231 2.614 1.00 0.00 O ATOM 0 H GLY A 7 12.638 19.369 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.685 18.606 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.227 19.513 4.769 1.00 0.00 H new ATOM 66 N PRO A 8 10.426 17.058 4.439 1.00 0.00 N ATOM 67 CA PRO A 8 9.730 15.850 3.987 1.00 0.00 C ATOM 68 C PRO A 8 8.800 16.123 2.810 1.00 0.00 C ATOM 69 O PRO A 8 8.381 17.255 2.568 1.00 0.00 O ATOM 70 CB PRO A 8 8.925 15.423 5.217 1.00 0.00 C ATOM 71 CG PRO A 8 8.724 16.679 5.992 1.00 0.00 C ATOM 72 CD PRO A 8 9.953 17.512 5.757 1.00 0.00 C ATOM 0 HA PRO A 8 10.424 15.089 3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.972 14.977 4.931 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.463 14.678 5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.828 17.203 5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.594 16.466 7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.722 18.577 5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.703 17.349 6.531 1.00 0.00 H new ATOM 80 N PRO A 9 8.467 15.063 2.059 1.00 0.00 N ATOM 81 CA PRO A 9 7.582 15.163 0.895 1.00 0.00 C ATOM 82 C PRO A 9 6.139 15.461 1.288 1.00 0.00 C ATOM 83 O PRO A 9 5.641 14.952 2.291 1.00 0.00 O ATOM 84 CB PRO A 9 7.685 13.779 0.249 1.00 0.00 C ATOM 85 CG PRO A 9 8.067 12.869 1.365 1.00 0.00 C ATOM 86 CD PRO A 9 8.929 13.683 2.288 1.00 0.00 C ATOM 0 HA PRO A 9 7.871 15.979 0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.738 13.480 -0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.432 13.767 -0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.184 12.496 1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.608 12.000 0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.799 13.383 3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.987 13.570 2.054 1.00 0.00 H new ATOM 94 N GLY A 10 5.471 16.289 0.490 1.00 0.00 N ATOM 95 CA GLY A 10 4.092 16.640 0.772 1.00 0.00 C ATOM 96 C GLY A 10 3.184 15.427 0.821 1.00 0.00 C ATOM 97 O GLY A 10 3.635 14.284 0.747 1.00 0.00 O ATOM 0 H GLY A 10 5.861 16.723 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.042 17.166 1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.732 17.329 0.008 1.00 0.00 H new ATOM 101 N PRO A 11 1.871 15.671 0.950 1.00 0.00 N ATOM 102 CA PRO A 11 0.870 14.601 1.012 1.00 0.00 C ATOM 103 C PRO A 11 0.705 13.882 -0.322 1.00 0.00 C ATOM 104 O PRO A 11 0.163 14.442 -1.276 1.00 0.00 O ATOM 105 CB PRO A 11 -0.417 15.342 1.383 1.00 0.00 C ATOM 106 CG PRO A 11 -0.208 16.734 0.894 1.00 0.00 C ATOM 107 CD PRO A 11 1.263 17.008 1.044 1.00 0.00 C ATOM 0 HA PRO A 11 1.150 13.822 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.287 14.884 0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.589 15.322 2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.520 16.833 -0.146 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.798 17.444 1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.630 17.672 0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.488 17.485 1.998 1.00 0.00 H new ATOM 115 N CYS A 12 1.176 12.642 -0.382 1.00 0.00 N ATOM 116 CA CYS A 12 1.081 11.846 -1.601 1.00 0.00 C ATOM 117 C CYS A 12 -0.377 11.578 -1.963 1.00 0.00 C ATOM 118 O CYS A 12 -1.278 11.782 -1.149 1.00 0.00 O ATOM 119 CB CYS A 12 1.828 10.523 -1.431 1.00 0.00 C ATOM 120 SG CYS A 12 3.533 10.707 -0.858 1.00 0.00 S ATOM 0 H CYS A 12 1.628 12.166 0.399 1.00 0.00 H new ATOM 0 HA CYS A 12 1.540 12.412 -2.412 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.283 9.899 -0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.831 9.995 -2.384 1.00 0.00 H new ATOM 0 HG CYS A 12 3.534 11.107 0.379 1.00 0.00 H new ATOM 126 N LEU A 13 -0.601 11.121 -3.190 1.00 0.00 N ATOM 127 CA LEU A 13 -1.950 10.827 -3.662 1.00 0.00 C ATOM 128 C LEU A 13 -2.351 9.398 -3.308 1.00 0.00 C ATOM 129 O LEU A 13 -1.508 8.529 -3.081 1.00 0.00 O ATOM 130 CB LEU A 13 -2.039 11.034 -5.175 1.00 0.00 C ATOM 131 CG LEU A 13 -2.204 12.479 -5.646 1.00 0.00 C ATOM 132 CD1 LEU A 13 -1.714 12.633 -7.077 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.657 12.916 -5.528 1.00 0.00 C ATOM 0 H LEU A 13 0.133 10.946 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.639 11.512 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.137 10.625 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.880 10.452 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.599 13.121 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.839 13.668 -7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.660 12.362 -7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.291 11.980 -7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.756 13.947 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.282 12.270 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.975 12.845 -4.488 1.00 0.00 H new ATOM 145 N PRO A 14 -3.667 9.146 -3.262 1.00 0.00 N ATOM 146 CA PRO A 14 -4.210 7.823 -2.939 1.00 0.00 C ATOM 147 C PRO A 14 -3.955 6.807 -4.047 1.00 0.00 C ATOM 148 O PRO A 14 -4.054 7.110 -5.236 1.00 0.00 O ATOM 149 CB PRO A 14 -5.710 8.083 -2.786 1.00 0.00 C ATOM 150 CG PRO A 14 -5.972 9.294 -3.613 1.00 0.00 C ATOM 151 CD PRO A 14 -4.728 10.134 -3.521 1.00 0.00 C ATOM 0 HA PRO A 14 -3.745 7.397 -2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.296 7.232 -3.133 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.978 8.251 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.184 9.022 -4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.840 9.840 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.547 10.686 -4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.798 10.868 -2.719 1.00 0.00 H new ATOM 159 N PRO A 15 -3.620 5.570 -3.650 1.00 0.00 N ATOM 160 CA PRO A 15 -3.345 4.483 -4.595 1.00 0.00 C ATOM 161 C PRO A 15 -4.601 4.015 -5.322 1.00 0.00 C ATOM 162 O PRO A 15 -5.626 3.741 -4.697 1.00 0.00 O ATOM 163 CB PRO A 15 -2.797 3.367 -3.702 1.00 0.00 C ATOM 164 CG PRO A 15 -3.374 3.641 -2.356 1.00 0.00 C ATOM 165 CD PRO A 15 -3.484 5.137 -2.250 1.00 0.00 C ATOM 0 HA PRO A 15 -2.659 4.792 -5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.095 2.385 -4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.707 3.380 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.350 3.169 -2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.736 3.240 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.345 5.435 -1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.603 5.572 -1.779 1.00 0.00 H new ATOM 173 N ARG A 16 -4.516 3.927 -6.645 1.00 0.00 N ATOM 174 CA ARG A 16 -5.646 3.493 -7.457 1.00 0.00 C ATOM 175 C ARG A 16 -5.680 1.972 -7.573 1.00 0.00 C ATOM 176 O ARG A 16 -4.733 1.354 -8.062 1.00 0.00 O ATOM 177 CB ARG A 16 -5.571 4.120 -8.850 1.00 0.00 C ATOM 178 CG ARG A 16 -6.156 5.521 -8.920 1.00 0.00 C ATOM 179 CD ARG A 16 -7.676 5.488 -8.973 1.00 0.00 C ATOM 180 NE ARG A 16 -8.244 6.813 -9.208 1.00 0.00 N ATOM 181 CZ ARG A 16 -8.390 7.729 -8.258 1.00 0.00 C ATOM 182 NH1 ARG A 16 -8.010 7.466 -7.015 1.00 0.00 N ATOM 183 NH2 ARG A 16 -8.915 8.912 -8.550 1.00 0.00 N ATOM 0 H ARG A 16 -3.675 4.151 -7.178 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.562 3.823 -6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.529 4.154 -9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.099 3.479 -9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.833 6.095 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.771 6.034 -9.802 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.997 4.811 -9.764 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.063 5.089 -8.035 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.545 7.047 -10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.604 6.558 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.123 8.171 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.207 9.119 -9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.027 9.615 -7.819 1.00 0.00 H new ATOM 197 N LEU A 17 -6.776 1.374 -7.119 1.00 0.00 N ATOM 198 CA LEU A 17 -6.934 -0.076 -7.172 1.00 0.00 C ATOM 199 C LEU A 17 -6.592 -0.611 -8.558 1.00 0.00 C ATOM 200 O LEU A 17 -7.228 -0.249 -9.547 1.00 0.00 O ATOM 201 CB LEU A 17 -8.366 -0.466 -6.800 1.00 0.00 C ATOM 202 CG LEU A 17 -8.782 -1.897 -7.143 1.00 0.00 C ATOM 203 CD1 LEU A 17 -8.003 -2.896 -6.301 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.279 -2.080 -6.942 1.00 0.00 C ATOM 0 H LEU A 17 -7.568 1.870 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.245 -0.519 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.495 -0.319 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.050 0.220 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.552 -2.080 -8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.313 -3.909 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.936 -2.782 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.201 -2.714 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.557 -3.104 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.534 -1.877 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.820 -1.390 -7.589 1.00 0.00 H new ATOM 216 N GLN A 18 -5.585 -1.476 -8.621 1.00 0.00 N ATOM 217 CA GLN A 18 -5.160 -2.062 -9.887 1.00 0.00 C ATOM 218 C GLN A 18 -6.169 -3.097 -10.373 1.00 0.00 C ATOM 219 O GLN A 18 -6.755 -3.830 -9.577 1.00 0.00 O ATOM 220 CB GLN A 18 -3.781 -2.708 -9.736 1.00 0.00 C ATOM 221 CG GLN A 18 -2.961 -2.696 -11.016 1.00 0.00 C ATOM 222 CD GLN A 18 -1.750 -3.605 -10.942 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.754 -4.709 -11.486 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.704 -3.144 -10.266 1.00 0.00 N ATOM 0 H GLN A 18 -5.049 -1.786 -7.811 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.101 -1.264 -10.627 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.228 -2.186 -8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.906 -3.739 -9.404 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.592 -3.004 -11.850 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.634 -1.677 -11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.744 -2.222 -9.831 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.139 -3.711 -10.182 1.00 0.00 H new ATOM 233 N GLY A 19 -6.367 -3.152 -11.687 1.00 0.00 N ATOM 234 CA GLY A 19 -7.306 -4.100 -12.257 1.00 0.00 C ATOM 235 C GLY A 19 -8.500 -4.346 -11.356 1.00 0.00 C ATOM 236 O GLY A 19 -9.276 -3.432 -11.079 1.00 0.00 O ATOM 0 H GLY A 19 -5.894 -2.557 -12.367 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.653 -3.728 -13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.795 -5.045 -12.444 1.00 0.00 H new ATOM 240 N ARG A 20 -8.648 -5.585 -10.898 1.00 0.00 N ATOM 241 CA ARG A 20 -9.758 -5.950 -10.026 1.00 0.00 C ATOM 242 C ARG A 20 -9.247 -6.536 -8.713 1.00 0.00 C ATOM 243 O ARG A 20 -8.262 -7.273 -8.676 1.00 0.00 O ATOM 244 CB ARG A 20 -10.674 -6.956 -10.724 1.00 0.00 C ATOM 245 CG ARG A 20 -11.447 -6.367 -11.894 1.00 0.00 C ATOM 246 CD ARG A 20 -12.653 -5.572 -11.420 1.00 0.00 C ATOM 247 NE ARG A 20 -13.836 -6.414 -11.263 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.620 -6.776 -12.273 1.00 0.00 C ATOM 249 NH1 ARG A 20 -14.348 -6.371 -13.506 1.00 0.00 N ATOM 250 NH2 ARG A 20 -15.679 -7.544 -12.049 1.00 0.00 N ATOM 0 H ARG A 20 -8.013 -6.353 -11.116 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.326 -5.046 -9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.075 -7.794 -11.080 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.381 -7.356 -9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.790 -5.721 -12.477 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.775 -7.169 -12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.420 -5.093 -10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.866 -4.777 -12.134 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.073 -6.742 -10.327 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.535 -5.780 -13.681 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.952 -6.650 -14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.891 -7.856 -11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.281 -7.822 -12.824 1.00 0.00 H new ATOM 264 N PRO A 21 -9.933 -6.203 -7.609 1.00 0.00 N ATOM 265 CA PRO A 21 -9.567 -6.686 -6.274 1.00 0.00 C ATOM 266 C PRO A 21 -9.830 -8.178 -6.105 1.00 0.00 C ATOM 267 O PRO A 21 -10.391 -8.824 -6.991 1.00 0.00 O ATOM 268 CB PRO A 21 -10.472 -5.874 -5.344 1.00 0.00 C ATOM 269 CG PRO A 21 -11.646 -5.506 -6.183 1.00 0.00 C ATOM 270 CD PRO A 21 -11.118 -5.329 -7.580 1.00 0.00 C ATOM 0 HA PRO A 21 -8.503 -6.561 -6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.774 -6.459 -4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.960 -4.988 -4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.409 -6.284 -6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.111 -4.588 -5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.854 -5.624 -8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.857 -4.290 -7.782 1.00 0.00 H new ATOM 278 N LYS A 22 -9.423 -8.720 -4.963 1.00 0.00 N ATOM 279 CA LYS A 22 -9.616 -10.137 -4.676 1.00 0.00 C ATOM 280 C LYS A 22 -10.446 -10.327 -3.410 1.00 0.00 C ATOM 281 O LYS A 22 -10.862 -9.357 -2.778 1.00 0.00 O ATOM 282 CB LYS A 22 -8.264 -10.836 -4.522 1.00 0.00 C ATOM 283 CG LYS A 22 -7.336 -10.634 -5.708 1.00 0.00 C ATOM 284 CD LYS A 22 -7.620 -11.635 -6.814 1.00 0.00 C ATOM 285 CE LYS A 22 -7.195 -11.100 -8.173 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.764 -11.395 -8.462 1.00 0.00 N ATOM 0 H LYS A 22 -8.957 -8.199 -4.220 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.154 -10.582 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.774 -10.467 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.431 -11.904 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.452 -9.621 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.301 -10.734 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.093 -12.566 -6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.685 -11.868 -6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.821 -11.541 -8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.358 -10.023 -8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.513 -11.014 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.165 -10.953 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.613 -12.424 -8.455 1.00 0.00 H new ATOM 300 N ALA A 23 -10.681 -11.583 -3.046 1.00 0.00 N ATOM 301 CA ALA A 23 -11.457 -11.901 -1.853 1.00 0.00 C ATOM 302 C ALA A 23 -10.715 -11.485 -0.588 1.00 0.00 C ATOM 303 O ALA A 23 -11.267 -10.798 0.271 1.00 0.00 O ATOM 304 CB ALA A 23 -11.781 -13.387 -1.814 1.00 0.00 C ATOM 0 H ALA A 23 -10.345 -12.397 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.390 -11.339 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.360 -13.610 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.360 -13.656 -2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.855 -13.961 -1.799 1.00 0.00 H new ATOM 310 N LYS A 24 -9.459 -11.907 -0.479 1.00 0.00 N ATOM 311 CA LYS A 24 -8.640 -11.579 0.681 1.00 0.00 C ATOM 312 C LYS A 24 -7.371 -10.844 0.261 1.00 0.00 C ATOM 313 O LYS A 24 -6.429 -10.716 1.043 1.00 0.00 O ATOM 314 CB LYS A 24 -8.274 -12.851 1.449 1.00 0.00 C ATOM 315 CG LYS A 24 -9.479 -13.672 1.875 1.00 0.00 C ATOM 316 CD LYS A 24 -9.134 -14.623 3.008 1.00 0.00 C ATOM 317 CE LYS A 24 -10.337 -14.887 3.901 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.187 -16.150 4.675 1.00 0.00 N ATOM 0 H LYS A 24 -8.987 -12.477 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.221 -10.924 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.626 -13.468 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.699 -12.578 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.282 -13.005 2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.853 -14.240 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.772 -15.565 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.323 -14.203 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.468 -14.052 4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.238 -14.940 3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.027 -16.294 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.087 -16.950 4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.341 -16.090 5.277 1.00 0.00 H new ATOM 332 N GLU A 25 -7.355 -10.362 -0.978 1.00 0.00 N ATOM 333 CA GLU A 25 -6.201 -9.639 -1.500 1.00 0.00 C ATOM 334 C GLU A 25 -6.642 -8.447 -2.344 1.00 0.00 C ATOM 335 O GLU A 25 -7.791 -8.374 -2.781 1.00 0.00 O ATOM 336 CB GLU A 25 -5.322 -10.572 -2.336 1.00 0.00 C ATOM 337 CG GLU A 25 -4.689 -11.695 -1.532 1.00 0.00 C ATOM 338 CD GLU A 25 -4.088 -12.775 -2.411 1.00 0.00 C ATOM 339 OE1 GLU A 25 -3.513 -12.429 -3.464 1.00 0.00 O ATOM 340 OE2 GLU A 25 -4.192 -13.964 -2.045 1.00 0.00 O ATOM 0 H GLU A 25 -8.127 -10.459 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.623 -9.269 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.923 -11.004 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.534 -9.987 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.913 -11.283 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.441 -12.139 -0.880 1.00 0.00 H new ATOM 347 N ILE A 26 -5.722 -7.515 -2.568 1.00 0.00 N ATOM 348 CA ILE A 26 -6.016 -6.326 -3.359 1.00 0.00 C ATOM 349 C ILE A 26 -4.747 -5.755 -3.984 1.00 0.00 C ATOM 350 O ILE A 26 -3.701 -5.692 -3.340 1.00 0.00 O ATOM 351 CB ILE A 26 -6.691 -5.236 -2.507 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.868 -5.824 -1.726 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.156 -4.086 -3.390 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.547 -4.826 -0.814 1.00 0.00 C ATOM 0 H ILE A 26 -4.767 -7.560 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.701 -6.633 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.963 -4.850 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.601 -6.217 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.514 -6.666 -1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.631 -3.323 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.299 -3.654 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.871 -4.457 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.372 -5.312 -0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.828 -4.451 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.931 -3.995 -1.406 1.00 0.00 H new ATOM 366 N GLN A 27 -4.850 -5.337 -5.242 1.00 0.00 N ATOM 367 CA GLN A 27 -3.711 -4.769 -5.953 1.00 0.00 C ATOM 368 C GLN A 27 -3.831 -3.252 -6.049 1.00 0.00 C ATOM 369 O GLN A 27 -4.912 -2.718 -6.299 1.00 0.00 O ATOM 370 CB GLN A 27 -3.605 -5.374 -7.354 1.00 0.00 C ATOM 371 CG GLN A 27 -3.195 -6.838 -7.356 1.00 0.00 C ATOM 372 CD GLN A 27 -3.423 -7.506 -8.698 1.00 0.00 C ATOM 373 OE1 GLN A 27 -2.552 -7.491 -9.567 1.00 0.00 O ATOM 374 NE2 GLN A 27 -4.599 -8.098 -8.872 1.00 0.00 N ATOM 0 H GLN A 27 -5.710 -5.381 -5.789 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.808 -5.009 -5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.567 -5.274 -7.857 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.881 -4.802 -7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.141 -6.917 -7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.758 -7.370 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.292 -8.086 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.809 -8.565 -9.754 1.00 0.00 H new ATOM 383 N LEU A 28 -2.714 -2.562 -5.848 1.00 0.00 N ATOM 384 CA LEU A 28 -2.693 -1.104 -5.911 1.00 0.00 C ATOM 385 C LEU A 28 -1.565 -0.615 -6.814 1.00 0.00 C ATOM 386 O LEU A 28 -0.564 -1.306 -7.003 1.00 0.00 O ATOM 387 CB LEU A 28 -2.531 -0.516 -4.509 1.00 0.00 C ATOM 388 CG LEU A 28 -3.584 -0.932 -3.481 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.994 -0.924 -2.079 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.795 -0.013 -3.556 1.00 0.00 C ATOM 0 H LEU A 28 -1.811 -2.988 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.641 -0.769 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.549 -0.799 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.540 0.571 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.908 -1.947 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.758 -1.223 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.159 -1.623 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.642 0.079 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.534 -0.324 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.487 1.012 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.233 -0.068 -4.553 1.00 0.00 H new ATOM 402 N ARG A 29 -1.734 0.582 -7.366 1.00 0.00 N ATOM 403 CA ARG A 29 -0.729 1.165 -8.248 1.00 0.00 C ATOM 404 C ARG A 29 -0.708 2.685 -8.118 1.00 0.00 C ATOM 405 O ARG A 29 -1.596 3.373 -8.622 1.00 0.00 O ATOM 406 CB ARG A 29 -1.005 0.770 -9.700 1.00 0.00 C ATOM 407 CG ARG A 29 -0.312 1.664 -10.716 1.00 0.00 C ATOM 408 CD ARG A 29 0.025 0.904 -11.989 1.00 0.00 C ATOM 409 NE ARG A 29 0.416 1.799 -13.074 1.00 0.00 N ATOM 410 CZ ARG A 29 0.983 1.384 -14.202 1.00 0.00 C ATOM 411 NH1 ARG A 29 1.223 0.094 -14.391 1.00 0.00 N ATOM 412 NH2 ARG A 29 1.310 2.260 -15.143 1.00 0.00 N ATOM 0 H ARG A 29 -2.557 1.167 -7.218 1.00 0.00 H new ATOM 0 HA ARG A 29 0.247 0.779 -7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.683 -0.260 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.080 0.798 -9.877 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.955 2.511 -10.956 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.601 2.071 -10.281 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.835 0.202 -11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.838 0.315 -12.299 1.00 0.00 H new ATOM 0 HE ARG A 29 0.245 2.798 -12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.972 -0.582 -13.670 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.658 -0.222 -15.258 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.126 3.253 -15.001 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.745 1.940 -16.008 1.00 0.00 H new ATOM 426 N TRP A 30 0.310 3.201 -7.439 1.00 0.00 N ATOM 427 CA TRP A 30 0.447 4.639 -7.242 1.00 0.00 C ATOM 428 C TRP A 30 1.703 5.166 -7.928 1.00 0.00 C ATOM 429 O TRP A 30 2.436 4.411 -8.566 1.00 0.00 O ATOM 430 CB TRP A 30 0.490 4.969 -5.749 1.00 0.00 C ATOM 431 CG TRP A 30 1.600 4.274 -5.020 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.806 4.806 -4.664 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.605 2.918 -4.559 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.561 3.863 -4.010 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.847 2.697 -3.932 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.682 1.871 -4.614 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.186 1.470 -3.366 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.020 0.654 -4.052 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.263 0.463 -3.434 1.00 0.00 C ATOM 0 H TRP A 30 1.053 2.645 -7.016 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.420 5.125 -7.689 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.602 6.046 -5.625 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.462 4.693 -5.295 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.120 5.819 -4.867 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.501 4.008 -3.642 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.279 2.010 -5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.144 1.319 -2.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.315 -0.163 -4.090 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.497 -0.499 -3.003 1.00 0.00 H new ATOM 450 N GLY A 31 1.945 6.466 -7.793 1.00 0.00 N ATOM 451 CA GLY A 31 3.113 7.071 -8.406 1.00 0.00 C ATOM 452 C GLY A 31 3.775 8.096 -7.506 1.00 0.00 C ATOM 453 O GLY A 31 3.319 8.364 -6.394 1.00 0.00 O ATOM 0 H GLY A 31 1.353 7.111 -7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.833 6.292 -8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.822 7.548 -9.342 1.00 0.00 H new ATOM 457 N PRO A 32 4.877 8.689 -7.989 1.00 0.00 N ATOM 458 CA PRO A 32 5.626 9.699 -7.236 1.00 0.00 C ATOM 459 C PRO A 32 4.860 11.011 -7.104 1.00 0.00 C ATOM 460 O PRO A 32 4.264 11.508 -8.060 1.00 0.00 O ATOM 461 CB PRO A 32 6.891 9.901 -8.075 1.00 0.00 C ATOM 462 CG PRO A 32 6.494 9.516 -9.458 1.00 0.00 C ATOM 463 CD PRO A 32 5.476 8.419 -9.306 1.00 0.00 C ATOM 0 HA PRO A 32 5.823 9.381 -6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.232 10.936 -8.035 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.710 9.281 -7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.074 10.367 -9.995 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.356 9.172 -10.030 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.730 8.450 -10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.939 7.433 -9.342 1.00 0.00 H new ATOM 471 N PRO A 33 4.874 11.586 -5.893 1.00 0.00 N ATOM 472 CA PRO A 33 4.185 12.849 -5.608 1.00 0.00 C ATOM 473 C PRO A 33 4.852 14.039 -6.289 1.00 0.00 C ATOM 474 O PRO A 33 5.988 13.944 -6.756 1.00 0.00 O ATOM 475 CB PRO A 33 4.291 12.975 -4.086 1.00 0.00 C ATOM 476 CG PRO A 33 5.500 12.184 -3.724 1.00 0.00 C ATOM 477 CD PRO A 33 5.563 11.049 -4.708 1.00 0.00 C ATOM 0 HA PRO A 33 3.160 12.847 -5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.393 14.016 -3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.400 12.585 -3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.399 12.798 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.431 11.811 -2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.592 10.770 -4.934 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.067 10.157 -4.325 1.00 0.00 H new ATOM 485 N LEU A 34 4.140 15.159 -6.343 1.00 0.00 N ATOM 486 CA LEU A 34 4.663 16.369 -6.967 1.00 0.00 C ATOM 487 C LEU A 34 5.619 17.097 -6.027 1.00 0.00 C ATOM 488 O LEU A 34 6.634 17.644 -6.458 1.00 0.00 O ATOM 489 CB LEU A 34 3.515 17.299 -7.365 1.00 0.00 C ATOM 490 CG LEU A 34 2.946 17.098 -8.770 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.504 17.576 -8.834 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.798 17.827 -9.799 1.00 0.00 C ATOM 0 H LEU A 34 3.199 15.254 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 34 5.213 16.078 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.706 17.173 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.861 18.329 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 34 2.965 16.033 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.115 17.425 -9.841 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.901 17.010 -8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.461 18.636 -8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.379 17.673 -10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.811 18.893 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.816 17.438 -9.770 1.00 0.00 H new ATOM 504 N VAL A 35 5.289 17.097 -4.739 1.00 0.00 N ATOM 505 CA VAL A 35 6.119 17.755 -3.737 1.00 0.00 C ATOM 506 C VAL A 35 6.945 16.739 -2.956 1.00 0.00 C ATOM 507 O VAL A 35 6.449 16.101 -2.028 1.00 0.00 O ATOM 508 CB VAL A 35 5.266 18.573 -2.750 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.142 19.521 -1.945 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.180 19.338 -3.492 1.00 0.00 C ATOM 0 H VAL A 35 4.453 16.649 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 35 6.787 18.429 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 35 4.784 17.884 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.522 20.091 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.879 18.947 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.654 20.206 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.587 19.911 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.639 20.017 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.535 18.635 -4.019 1.00 0.00 H new ATOM 520 N ASP A 36 8.209 16.594 -3.338 1.00 0.00 N ATOM 521 CA ASP A 36 9.107 15.656 -2.673 1.00 0.00 C ATOM 522 C ASP A 36 9.962 16.370 -1.631 1.00 0.00 C ATOM 523 O ASP A 36 11.042 15.900 -1.273 1.00 0.00 O ATOM 524 CB ASP A 36 10.004 14.961 -3.698 1.00 0.00 C ATOM 525 CG ASP A 36 10.972 15.919 -4.364 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.326 16.938 -3.735 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.377 15.648 -5.514 1.00 0.00 O ATOM 0 H ASP A 36 8.635 17.114 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 36 8.500 14.906 -2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.565 14.166 -3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.383 14.489 -4.459 1.00 0.00 H new ATOM 532 N GLY A 37 9.472 17.508 -1.148 1.00 0.00 N ATOM 533 CA GLY A 37 10.205 18.268 -0.153 1.00 0.00 C ATOM 534 C GLY A 37 11.535 18.775 -0.675 1.00 0.00 C ATOM 535 O GLY A 37 12.450 19.051 0.101 1.00 0.00 O ATOM 0 H GLY A 37 8.581 17.917 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.599 19.114 0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.376 17.643 0.723 1.00 0.00 H new ATOM 539 N GLY A 38 11.645 18.897 -1.994 1.00 0.00 N ATOM 540 CA GLY A 38 12.877 19.372 -2.596 1.00 0.00 C ATOM 541 C GLY A 38 13.819 18.241 -2.957 1.00 0.00 C ATOM 542 O GLY A 38 14.567 18.333 -3.930 1.00 0.00 O ATOM 0 H GLY A 38 10.902 18.675 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.642 19.945 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.377 20.051 -1.905 1.00 0.00 H new ATOM 546 N SER A 39 13.786 17.170 -2.169 1.00 0.00 N ATOM 547 CA SER A 39 14.648 16.019 -2.408 1.00 0.00 C ATOM 548 C SER A 39 13.881 14.903 -3.111 1.00 0.00 C ATOM 549 O SER A 39 12.681 14.717 -2.910 1.00 0.00 O ATOM 550 CB SER A 39 15.224 15.504 -1.087 1.00 0.00 C ATOM 551 OG SER A 39 16.476 16.105 -0.808 1.00 0.00 O ATOM 0 H SER A 39 13.172 17.076 -1.360 1.00 0.00 H new ATOM 0 HA SER A 39 15.467 16.336 -3.054 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.527 15.715 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.339 14.421 -1.135 1.00 0.00 H new ATOM 0 HG SER A 39 16.991 16.189 -1.638 1.00 0.00 H new ATOM 557 N PRO A 40 14.591 14.141 -3.957 1.00 0.00 N ATOM 558 CA PRO A 40 13.999 13.029 -4.708 1.00 0.00 C ATOM 559 C PRO A 40 13.626 11.856 -3.808 1.00 0.00 C ATOM 560 O PRO A 40 14.485 11.273 -3.146 1.00 0.00 O ATOM 561 CB PRO A 40 15.110 12.626 -5.680 1.00 0.00 C ATOM 562 CG PRO A 40 16.371 13.061 -5.016 1.00 0.00 C ATOM 563 CD PRO A 40 16.025 14.305 -4.246 1.00 0.00 C ATOM 0 HA PRO A 40 13.069 13.317 -5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.108 11.551 -5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.984 13.111 -6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.751 12.284 -4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.150 13.261 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.612 14.387 -3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.217 15.205 -4.830 1.00 0.00 H new ATOM 571 N ILE A 41 12.343 11.514 -3.790 1.00 0.00 N ATOM 572 CA ILE A 41 11.858 10.409 -2.973 1.00 0.00 C ATOM 573 C ILE A 41 12.895 9.294 -2.885 1.00 0.00 C ATOM 574 O ILE A 41 13.625 9.035 -3.842 1.00 0.00 O ATOM 575 CB ILE A 41 10.545 9.830 -3.531 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.490 10.931 -3.660 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.039 8.707 -2.638 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.162 11.610 -2.349 1.00 0.00 C ATOM 0 H ILE A 41 11.620 11.987 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 41 11.674 10.811 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 41 10.739 9.420 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.843 11.680 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.578 10.502 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.110 8.308 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.785 7.914 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.858 9.093 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.408 12.379 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.779 10.873 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.063 12.068 -1.941 1.00 0.00 H new ATOM 590 N SER A 42 12.953 8.636 -1.732 1.00 0.00 N ATOM 591 CA SER A 42 13.902 7.550 -1.518 1.00 0.00 C ATOM 592 C SER A 42 13.174 6.246 -1.206 1.00 0.00 C ATOM 593 O SER A 42 13.747 5.161 -1.312 1.00 0.00 O ATOM 594 CB SER A 42 14.859 7.898 -0.376 1.00 0.00 C ATOM 595 OG SER A 42 15.940 6.984 -0.320 1.00 0.00 O ATOM 0 H SER A 42 12.354 8.836 -0.931 1.00 0.00 H new ATOM 0 HA SER A 42 14.475 7.416 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.241 8.910 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.319 7.886 0.571 1.00 0.00 H new ATOM 0 HG SER A 42 16.538 7.229 0.417 1.00 0.00 H new ATOM 601 N CYS A 43 11.907 6.361 -0.822 1.00 0.00 N ATOM 602 CA CYS A 43 11.099 5.191 -0.493 1.00 0.00 C ATOM 603 C CYS A 43 9.649 5.587 -0.238 1.00 0.00 C ATOM 604 O CYS A 43 9.324 6.771 -0.151 1.00 0.00 O ATOM 605 CB CYS A 43 11.670 4.480 0.734 1.00 0.00 C ATOM 606 SG CYS A 43 12.486 5.581 1.913 1.00 0.00 S ATOM 0 H CYS A 43 11.417 7.251 -0.731 1.00 0.00 H new ATOM 0 HA CYS A 43 11.126 4.510 -1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.863 3.954 1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.384 3.726 0.404 1.00 0.00 H new ATOM 0 HG CYS A 43 12.934 4.887 2.917 1.00 0.00 H new ATOM 612 N TYR A 44 8.781 4.589 -0.122 1.00 0.00 N ATOM 613 CA TYR A 44 7.363 4.832 0.119 1.00 0.00 C ATOM 614 C TYR A 44 6.822 3.890 1.190 1.00 0.00 C ATOM 615 O TYR A 44 7.530 3.002 1.666 1.00 0.00 O ATOM 616 CB TYR A 44 6.568 4.661 -1.176 1.00 0.00 C ATOM 617 CG TYR A 44 6.868 5.717 -2.216 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.215 6.943 -2.198 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.806 5.489 -3.215 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.485 7.911 -3.146 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.084 6.451 -4.167 1.00 0.00 C ATOM 622 CZ TYR A 44 7.421 7.660 -4.128 1.00 0.00 C ATOM 623 OH TYR A 44 7.694 8.622 -5.074 1.00 0.00 O ATOM 0 H TYR A 44 9.034 3.603 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 44 7.251 5.857 0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.782 3.678 -1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.503 4.684 -0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.483 7.143 -1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.327 4.544 -3.248 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.967 8.858 -3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.816 6.258 -4.937 1.00 0.00 H new ATOM 0 HH TYR A 44 8.377 8.288 -5.693 1.00 0.00 H new ATOM 633 N SER A 45 5.563 4.090 1.563 1.00 0.00 N ATOM 634 CA SER A 45 4.926 3.260 2.580 1.00 0.00 C ATOM 635 C SER A 45 3.408 3.290 2.432 1.00 0.00 C ATOM 636 O SER A 45 2.805 4.356 2.305 1.00 0.00 O ATOM 637 CB SER A 45 5.323 3.736 3.978 1.00 0.00 C ATOM 638 OG SER A 45 4.526 3.118 4.973 1.00 0.00 O ATOM 0 H SER A 45 4.963 4.819 1.177 1.00 0.00 H new ATOM 0 HA SER A 45 5.267 2.234 2.443 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.374 3.510 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.214 4.819 4.041 1.00 0.00 H new ATOM 0 HG SER A 45 5.086 2.886 5.743 1.00 0.00 H new ATOM 644 N VAL A 46 2.794 2.111 2.450 1.00 0.00 N ATOM 645 CA VAL A 46 1.346 2.000 2.320 1.00 0.00 C ATOM 646 C VAL A 46 0.712 1.525 3.622 1.00 0.00 C ATOM 647 O VAL A 46 0.898 0.380 4.033 1.00 0.00 O ATOM 648 CB VAL A 46 0.958 1.030 1.188 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.555 0.902 1.091 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.548 1.491 -0.135 1.00 0.00 C ATOM 0 H VAL A 46 3.277 1.219 2.553 1.00 0.00 H new ATOM 0 HA VAL A 46 0.972 2.995 2.080 1.00 0.00 H new ATOM 0 HB VAL A 46 1.368 0.047 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.811 0.213 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.949 0.522 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.990 1.880 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.263 0.794 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.170 2.484 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.635 1.526 -0.056 1.00 0.00 H new ATOM 660 N GLU A 47 -0.038 2.413 4.267 1.00 0.00 N ATOM 661 CA GLU A 47 -0.700 2.083 5.524 1.00 0.00 C ATOM 662 C GLU A 47 -2.185 1.811 5.302 1.00 0.00 C ATOM 663 O GLU A 47 -2.981 2.738 5.152 1.00 0.00 O ATOM 664 CB GLU A 47 -0.524 3.221 6.532 1.00 0.00 C ATOM 665 CG GLU A 47 -1.097 2.912 7.905 1.00 0.00 C ATOM 666 CD GLU A 47 -0.794 3.995 8.921 1.00 0.00 C ATOM 667 OE1 GLU A 47 0.355 4.048 9.408 1.00 0.00 O ATOM 668 OE2 GLU A 47 -1.706 4.791 9.230 1.00 0.00 O ATOM 0 H GLU A 47 -0.202 3.365 3.940 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.238 1.179 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.538 3.445 6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.003 4.119 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.177 2.787 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.692 1.964 8.259 1.00 0.00 H new ATOM 675 N MET A 48 -2.550 0.534 5.281 1.00 0.00 N ATOM 676 CA MET A 48 -3.939 0.139 5.078 1.00 0.00 C ATOM 677 C MET A 48 -4.661 -0.015 6.413 1.00 0.00 C ATOM 678 O MET A 48 -4.064 -0.423 7.409 1.00 0.00 O ATOM 679 CB MET A 48 -4.010 -1.172 4.292 1.00 0.00 C ATOM 680 CG MET A 48 -5.424 -1.701 4.119 1.00 0.00 C ATOM 681 SD MET A 48 -5.465 -3.466 3.750 1.00 0.00 S ATOM 682 CE MET A 48 -5.252 -4.159 5.388 1.00 0.00 C ATOM 0 H MET A 48 -1.903 -0.245 5.402 1.00 0.00 H new ATOM 0 HA MET A 48 -4.434 0.924 4.506 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.565 -1.021 3.309 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.409 -1.925 4.802 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.993 -1.511 5.029 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.917 -1.154 3.315 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.562 -5.001 5.340 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.849 -3.397 6.056 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.215 -4.500 5.767 1.00 0.00 H new ATOM 692 N SER A 49 -5.949 0.314 6.425 1.00 0.00 N ATOM 693 CA SER A 49 -6.751 0.215 7.639 1.00 0.00 C ATOM 694 C SER A 49 -8.203 -0.113 7.305 1.00 0.00 C ATOM 695 O SER A 49 -8.810 0.476 6.410 1.00 0.00 O ATOM 696 CB SER A 49 -6.681 1.523 8.429 1.00 0.00 C ATOM 697 OG SER A 49 -7.863 1.727 9.184 1.00 0.00 O ATOM 0 H SER A 49 -6.459 0.651 5.609 1.00 0.00 H new ATOM 0 HA SER A 49 -6.345 -0.592 8.249 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.819 1.503 9.096 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.535 2.358 7.744 1.00 0.00 H new ATOM 0 HG SER A 49 -7.793 2.569 9.681 1.00 0.00 H new ATOM 703 N PRO A 50 -8.776 -1.077 8.042 1.00 0.00 N ATOM 704 CA PRO A 50 -10.163 -1.506 7.844 1.00 0.00 C ATOM 705 C PRO A 50 -11.167 -0.442 8.278 1.00 0.00 C ATOM 706 O PRO A 50 -11.387 -0.234 9.471 1.00 0.00 O ATOM 707 CB PRO A 50 -10.281 -2.746 8.733 1.00 0.00 C ATOM 708 CG PRO A 50 -9.245 -2.557 9.786 1.00 0.00 C ATOM 709 CD PRO A 50 -8.112 -1.821 9.126 1.00 0.00 C ATOM 0 HA PRO A 50 -10.385 -1.695 6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.277 -2.828 9.168 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.105 -3.659 8.164 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.642 -1.988 10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.910 -3.516 10.180 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.607 -1.152 9.823 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.358 -2.507 8.740 1.00 0.00 H new ATOM 717 N ILE A 51 -11.771 0.227 7.302 1.00 0.00 N ATOM 718 CA ILE A 51 -12.752 1.268 7.584 1.00 0.00 C ATOM 719 C ILE A 51 -13.596 0.912 8.804 1.00 0.00 C ATOM 720 O ILE A 51 -13.965 1.782 9.591 1.00 0.00 O ATOM 721 CB ILE A 51 -13.683 1.505 6.381 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.974 2.191 6.834 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.994 0.188 5.684 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.587 3.082 5.777 1.00 0.00 C ATOM 0 H ILE A 51 -11.599 0.067 6.309 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.193 2.182 7.786 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.176 2.159 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.699 1.430 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.767 2.786 7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.653 0.372 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.067 -0.265 5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.485 -0.488 6.385 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.498 3.535 6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.879 3.866 5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.826 2.488 4.895 1.00 0.00 H new ATOM 736 N GLU A 52 -13.897 -0.375 8.953 1.00 0.00 N ATOM 737 CA GLU A 52 -14.697 -0.846 10.078 1.00 0.00 C ATOM 738 C GLU A 52 -14.050 -0.460 11.405 1.00 0.00 C ATOM 739 O GLU A 52 -14.716 0.041 12.311 1.00 0.00 O ATOM 740 CB GLU A 52 -14.873 -2.364 10.006 1.00 0.00 C ATOM 741 CG GLU A 52 -13.584 -3.114 9.714 1.00 0.00 C ATOM 742 CD GLU A 52 -13.774 -4.618 9.703 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.655 -5.111 10.438 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.041 -5.302 8.959 1.00 0.00 O ATOM 0 H GLU A 52 -13.599 -1.109 8.310 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.676 -0.371 10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.283 -2.719 10.951 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.604 -2.600 9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.193 -2.794 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.837 -2.851 10.463 1.00 0.00 H new ATOM 751 N LYS A 53 -12.747 -0.698 11.512 1.00 0.00 N ATOM 752 CA LYS A 53 -12.007 -0.375 12.727 1.00 0.00 C ATOM 753 C LYS A 53 -10.699 0.335 12.395 1.00 0.00 C ATOM 754 O LYS A 53 -10.048 0.022 11.398 1.00 0.00 O ATOM 755 CB LYS A 53 -11.721 -1.648 13.527 1.00 0.00 C ATOM 756 CG LYS A 53 -10.807 -2.626 12.808 1.00 0.00 C ATOM 757 CD LYS A 53 -10.783 -3.978 13.500 1.00 0.00 C ATOM 758 CE LYS A 53 -10.172 -5.049 12.610 1.00 0.00 C ATOM 759 NZ LYS A 53 -11.137 -5.534 11.585 1.00 0.00 N ATOM 0 H LYS A 53 -12.181 -1.114 10.772 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.620 0.295 13.329 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.268 -1.374 14.480 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.665 -2.145 13.753 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.142 -2.749 11.778 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.797 -2.219 12.768 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.213 -3.904 14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.798 -4.266 13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.287 -4.649 12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.842 -5.887 13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.706 -6.310 11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.999 -5.877 12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.380 -4.755 10.941 1.00 0.00 H new ATOM 773 N ASP A 54 -10.319 1.289 13.237 1.00 0.00 N ATOM 774 CA ASP A 54 -9.087 2.042 13.035 1.00 0.00 C ATOM 775 C ASP A 54 -7.871 1.210 13.432 1.00 0.00 C ATOM 776 O ASP A 54 -7.404 1.280 14.568 1.00 0.00 O ATOM 777 CB ASP A 54 -9.118 3.340 13.842 1.00 0.00 C ATOM 778 CG ASP A 54 -8.121 4.363 13.333 1.00 0.00 C ATOM 779 OD1 ASP A 54 -8.320 4.877 12.212 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.143 4.649 14.054 1.00 0.00 O ATOM 0 H ASP A 54 -10.847 1.560 14.067 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.009 2.285 11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.121 3.764 13.803 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.905 3.119 14.888 1.00 0.00 H new ATOM 785 N GLU A 55 -7.364 0.423 12.487 1.00 0.00 N ATOM 786 CA GLU A 55 -6.204 -0.423 12.740 1.00 0.00 C ATOM 787 C GLU A 55 -5.185 -0.300 11.612 1.00 0.00 C ATOM 788 O GLU A 55 -4.923 -1.249 10.872 1.00 0.00 O ATOM 789 CB GLU A 55 -6.634 -1.883 12.897 1.00 0.00 C ATOM 790 CG GLU A 55 -5.720 -2.693 13.801 1.00 0.00 C ATOM 791 CD GLU A 55 -6.391 -3.942 14.341 1.00 0.00 C ATOM 792 OE1 GLU A 55 -7.090 -3.842 15.371 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.217 -5.018 13.732 1.00 0.00 O ATOM 0 H GLU A 55 -7.738 0.354 11.541 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.737 -0.088 13.666 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.647 -1.913 13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.666 -2.351 11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.825 -2.976 13.247 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.395 -2.070 14.635 1.00 0.00 H new ATOM 800 N PRO A 56 -4.595 0.897 11.475 1.00 0.00 N ATOM 801 CA PRO A 56 -3.595 1.173 10.440 1.00 0.00 C ATOM 802 C PRO A 56 -2.280 0.445 10.695 1.00 0.00 C ATOM 803 O PRO A 56 -1.786 0.412 11.822 1.00 0.00 O ATOM 804 CB PRO A 56 -3.394 2.688 10.535 1.00 0.00 C ATOM 805 CG PRO A 56 -3.766 3.031 11.937 1.00 0.00 C ATOM 806 CD PRO A 56 -4.858 2.072 12.322 1.00 0.00 C ATOM 0 HA PRO A 56 -3.922 0.833 9.457 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.362 2.965 10.320 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.022 3.217 9.818 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.909 2.934 12.603 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.110 4.063 12.008 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.817 1.821 13.382 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.846 2.491 12.132 1.00 0.00 H new ATOM 814 N ARG A 57 -1.717 -0.138 9.641 1.00 0.00 N ATOM 815 CA ARG A 57 -0.460 -0.867 9.752 1.00 0.00 C ATOM 816 C ARG A 57 0.283 -0.876 8.418 1.00 0.00 C ATOM 817 O ARG A 57 -0.334 -0.930 7.355 1.00 0.00 O ATOM 818 CB ARG A 57 -0.716 -2.302 10.215 1.00 0.00 C ATOM 819 CG ARG A 57 -1.287 -3.200 9.129 1.00 0.00 C ATOM 820 CD ARG A 57 -2.785 -2.994 8.967 1.00 0.00 C ATOM 821 NE ARG A 57 -3.552 -3.773 9.935 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.743 -5.084 9.837 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.224 -5.759 8.821 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.453 -5.723 10.758 1.00 0.00 N ATOM 0 H ARG A 57 -2.112 -0.119 8.701 1.00 0.00 H new ATOM 0 HA ARG A 57 0.161 -0.360 10.491 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.219 -2.731 10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.405 -2.285 11.060 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.786 -2.993 8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.086 -4.243 9.375 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.020 -1.936 9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.083 -3.276 7.957 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.964 -3.284 10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.676 -5.272 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.372 -6.766 8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.853 -5.208 11.542 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.599 -6.730 10.682 1.00 0.00 H new ATOM 838 N GLU A 58 1.609 -0.822 8.485 1.00 0.00 N ATOM 839 CA GLU A 58 2.434 -0.823 7.283 1.00 0.00 C ATOM 840 C GLU A 58 2.343 -2.165 6.561 1.00 0.00 C ATOM 841 O GLU A 58 3.000 -3.134 6.943 1.00 0.00 O ATOM 842 CB GLU A 58 3.892 -0.520 7.637 1.00 0.00 C ATOM 843 CG GLU A 58 4.866 -0.810 6.507 1.00 0.00 C ATOM 844 CD GLU A 58 6.313 -0.762 6.958 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.682 0.198 7.666 1.00 0.00 O ATOM 846 OE2 GLU A 58 7.076 -1.685 6.604 1.00 0.00 O ATOM 0 H GLU A 58 2.135 -0.777 9.358 1.00 0.00 H new ATOM 0 HA GLU A 58 2.060 -0.045 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.978 0.529 7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.175 -1.109 8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.651 -1.794 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.714 -0.086 5.707 1.00 0.00 H new ATOM 853 N VAL A 59 1.524 -2.214 5.516 1.00 0.00 N ATOM 854 CA VAL A 59 1.346 -3.435 4.740 1.00 0.00 C ATOM 855 C VAL A 59 2.347 -3.507 3.591 1.00 0.00 C ATOM 856 O VAL A 59 2.429 -4.514 2.888 1.00 0.00 O ATOM 857 CB VAL A 59 -0.081 -3.535 4.169 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.109 -3.482 5.290 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.328 -2.429 3.155 1.00 0.00 C ATOM 0 H VAL A 59 0.973 -1.421 5.187 1.00 0.00 H new ATOM 0 HA VAL A 59 1.516 -4.269 5.420 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.184 -4.493 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.111 -3.554 4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.943 -4.313 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.010 -2.541 5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.341 -2.515 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.207 -1.459 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.387 -2.519 2.337 1.00 0.00 H new ATOM 869 N TYR A 60 3.105 -2.432 3.407 1.00 0.00 N ATOM 870 CA TYR A 60 4.100 -2.372 2.342 1.00 0.00 C ATOM 871 C TYR A 60 5.122 -1.272 2.613 1.00 0.00 C ATOM 872 O TYR A 60 4.807 -0.259 3.236 1.00 0.00 O ATOM 873 CB TYR A 60 3.420 -2.131 0.994 1.00 0.00 C ATOM 874 CG TYR A 60 4.371 -2.176 -0.181 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.789 -3.389 -0.714 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.852 -1.007 -0.756 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.659 -3.436 -1.787 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.720 -1.044 -1.830 1.00 0.00 C ATOM 879 CZ TYR A 60 6.121 -2.260 -2.341 1.00 0.00 C ATOM 880 OH TYR A 60 6.987 -2.301 -3.410 1.00 0.00 O ATOM 0 H TYR A 60 3.050 -1.591 3.981 1.00 0.00 H new ATOM 0 HA TYR A 60 4.622 -3.328 2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.642 -2.881 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.926 -1.159 1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.428 -4.311 -0.283 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.542 -0.053 -0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.975 -4.387 -2.189 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.083 -0.125 -2.267 1.00 0.00 H new ATOM 0 HH TYR A 60 6.814 -3.107 -3.940 1.00 0.00 H new ATOM 890 N GLN A 61 6.346 -1.481 2.139 1.00 0.00 N ATOM 891 CA GLN A 61 7.415 -0.508 2.330 1.00 0.00 C ATOM 892 C GLN A 61 8.613 -0.836 1.446 1.00 0.00 C ATOM 893 O GLN A 61 9.259 -1.870 1.616 1.00 0.00 O ATOM 894 CB GLN A 61 7.844 -0.471 3.797 1.00 0.00 C ATOM 895 CG GLN A 61 8.654 0.762 4.163 1.00 0.00 C ATOM 896 CD GLN A 61 8.897 0.879 5.655 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.757 0.195 6.211 1.00 0.00 O ATOM 898 NE2 GLN A 61 8.139 1.749 6.312 1.00 0.00 N ATOM 0 H GLN A 61 6.622 -2.315 1.620 1.00 0.00 H new ATOM 0 HA GLN A 61 7.034 0.473 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.956 -0.513 4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.433 -1.361 4.017 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.612 0.730 3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.132 1.652 3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.438 2.295 5.811 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.258 1.871 7.318 1.00 0.00 H new ATOM 907 N GLY A 62 8.906 0.052 0.500 1.00 0.00 N ATOM 908 CA GLY A 62 10.026 -0.162 -0.398 1.00 0.00 C ATOM 909 C GLY A 62 10.337 1.060 -1.238 1.00 0.00 C ATOM 910 O GLY A 62 10.257 2.190 -0.756 1.00 0.00 O ATOM 0 H GLY A 62 8.388 0.916 0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.907 -0.433 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.806 -1.004 -1.054 1.00 0.00 H new ATOM 914 N SER A 63 10.695 0.835 -2.498 1.00 0.00 N ATOM 915 CA SER A 63 11.025 1.927 -3.406 1.00 0.00 C ATOM 916 C SER A 63 10.070 1.951 -4.596 1.00 0.00 C ATOM 917 O SER A 63 9.972 2.952 -5.306 1.00 0.00 O ATOM 918 CB SER A 63 12.467 1.792 -3.898 1.00 0.00 C ATOM 919 OG SER A 63 12.662 2.500 -5.110 1.00 0.00 O ATOM 0 H SER A 63 10.764 -0.094 -2.913 1.00 0.00 H new ATOM 0 HA SER A 63 10.922 2.865 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.151 2.171 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.707 0.739 -4.046 1.00 0.00 H new ATOM 0 HG SER A 63 13.592 2.399 -5.402 1.00 0.00 H new ATOM 925 N GLU A 64 9.369 0.842 -4.807 1.00 0.00 N ATOM 926 CA GLU A 64 8.422 0.736 -5.911 1.00 0.00 C ATOM 927 C GLU A 64 7.152 1.528 -5.617 1.00 0.00 C ATOM 928 O GLU A 64 6.968 2.042 -4.514 1.00 0.00 O ATOM 929 CB GLU A 64 8.073 -0.731 -6.173 1.00 0.00 C ATOM 930 CG GLU A 64 9.000 -1.410 -7.167 1.00 0.00 C ATOM 931 CD GLU A 64 8.528 -1.262 -8.600 1.00 0.00 C ATOM 932 OE1 GLU A 64 8.801 -0.207 -9.209 1.00 0.00 O ATOM 933 OE2 GLU A 64 7.886 -2.203 -9.112 1.00 0.00 O ATOM 0 H GLU A 64 9.439 0.005 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 64 8.892 1.155 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.103 -1.277 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.050 -0.791 -6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.000 -0.987 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.077 -2.469 -6.921 1.00 0.00 H new ATOM 940 N VAL A 65 6.277 1.624 -6.614 1.00 0.00 N ATOM 941 CA VAL A 65 5.024 2.353 -6.464 1.00 0.00 C ATOM 942 C VAL A 65 3.827 1.455 -6.756 1.00 0.00 C ATOM 943 O VAL A 65 2.755 1.934 -7.125 1.00 0.00 O ATOM 944 CB VAL A 65 4.972 3.579 -7.395 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.197 4.457 -7.191 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.856 3.139 -8.847 1.00 0.00 C ATOM 0 H VAL A 65 6.414 1.206 -7.534 1.00 0.00 H new ATOM 0 HA VAL A 65 4.977 2.691 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 65 4.089 4.167 -7.145 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.143 5.318 -7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.231 4.800 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.097 3.883 -7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.820 4.017 -9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.719 2.529 -9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.945 2.555 -8.979 1.00 0.00 H new ATOM 956 N GLU A 66 4.019 0.150 -6.589 1.00 0.00 N ATOM 957 CA GLU A 66 2.954 -0.815 -6.836 1.00 0.00 C ATOM 958 C GLU A 66 3.184 -2.095 -6.038 1.00 0.00 C ATOM 959 O GLU A 66 4.281 -2.656 -6.047 1.00 0.00 O ATOM 960 CB GLU A 66 2.866 -1.141 -8.328 1.00 0.00 C ATOM 961 CG GLU A 66 4.209 -1.467 -8.960 1.00 0.00 C ATOM 962 CD GLU A 66 4.070 -2.175 -10.294 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.935 -3.416 -10.297 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.095 -1.486 -11.335 1.00 0.00 O ATOM 0 H GLU A 66 4.901 -0.263 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 66 2.013 -0.369 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.193 -1.987 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.424 -0.293 -8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.774 -0.545 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.784 -2.094 -8.279 1.00 0.00 H new ATOM 971 N CYS A 67 2.144 -2.551 -5.348 1.00 0.00 N ATOM 972 CA CYS A 67 2.233 -3.764 -4.543 1.00 0.00 C ATOM 973 C CYS A 67 0.884 -4.474 -4.481 1.00 0.00 C ATOM 974 O CYS A 67 -0.089 -4.039 -5.097 1.00 0.00 O ATOM 975 CB CYS A 67 2.712 -3.429 -3.130 1.00 0.00 C ATOM 976 SG CYS A 67 1.405 -2.842 -2.027 1.00 0.00 S ATOM 0 H CYS A 67 1.230 -2.099 -5.330 1.00 0.00 H new ATOM 0 HA CYS A 67 2.954 -4.432 -5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.170 -4.317 -2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.489 -2.667 -3.192 1.00 0.00 H new ATOM 0 HG CYS A 67 1.894 -1.961 -1.205 1.00 0.00 H new ATOM 982 N THR A 68 0.834 -5.572 -3.733 1.00 0.00 N ATOM 983 CA THR A 68 -0.393 -6.345 -3.592 1.00 0.00 C ATOM 984 C THR A 68 -0.641 -6.723 -2.136 1.00 0.00 C ATOM 985 O THR A 68 0.165 -7.417 -1.518 1.00 0.00 O ATOM 986 CB THR A 68 -0.350 -7.629 -4.443 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.213 -7.294 -5.828 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.609 -8.457 -4.238 1.00 0.00 C ATOM 0 H THR A 68 1.630 -5.946 -3.216 1.00 0.00 H new ATOM 0 HA THR A 68 -1.207 -5.711 -3.944 1.00 0.00 H new ATOM 0 HB THR A 68 0.509 -8.220 -4.126 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.185 -8.115 -6.362 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.555 -9.358 -4.849 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.694 -8.735 -3.188 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.481 -7.872 -4.530 1.00 0.00 H new ATOM 996 N VAL A 69 -1.764 -6.262 -1.593 1.00 0.00 N ATOM 997 CA VAL A 69 -2.119 -6.553 -0.209 1.00 0.00 C ATOM 998 C VAL A 69 -2.822 -7.900 -0.094 1.00 0.00 C ATOM 999 O VAL A 69 -3.397 -8.397 -1.063 1.00 0.00 O ATOM 1000 CB VAL A 69 -3.031 -5.459 0.378 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.129 -5.600 1.889 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.520 -4.078 -0.005 1.00 0.00 C ATOM 0 H VAL A 69 -2.443 -5.686 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.188 -6.583 0.357 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.030 -5.580 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.777 -4.819 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.544 -6.577 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.136 -5.506 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.176 -3.317 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.510 -3.943 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.507 -3.983 -1.091 1.00 0.00 H new ATOM 1012 N SER A 70 -2.772 -8.488 1.097 1.00 0.00 N ATOM 1013 CA SER A 70 -3.402 -9.781 1.339 1.00 0.00 C ATOM 1014 C SER A 70 -3.815 -9.919 2.801 1.00 0.00 C ATOM 1015 O SER A 70 -3.599 -9.014 3.606 1.00 0.00 O ATOM 1016 CB SER A 70 -2.449 -10.915 0.957 1.00 0.00 C ATOM 1017 OG SER A 70 -1.499 -11.151 1.982 1.00 0.00 O ATOM 0 H SER A 70 -2.302 -8.090 1.910 1.00 0.00 H new ATOM 0 HA SER A 70 -4.297 -9.843 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.019 -11.825 0.769 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.933 -10.664 0.030 1.00 0.00 H new ATOM 0 HG SER A 70 -0.903 -11.881 1.714 1.00 0.00 H new ATOM 1023 N SER A 71 -4.410 -11.060 3.135 1.00 0.00 N ATOM 1024 CA SER A 71 -4.858 -11.317 4.499 1.00 0.00 C ATOM 1025 C SER A 71 -6.050 -10.434 4.855 1.00 0.00 C ATOM 1026 O SER A 71 -6.238 -10.062 6.014 1.00 0.00 O ATOM 1027 CB SER A 71 -3.716 -11.074 5.488 1.00 0.00 C ATOM 1028 OG SER A 71 -3.998 -11.658 6.747 1.00 0.00 O ATOM 0 H SER A 71 -4.593 -11.821 2.480 1.00 0.00 H new ATOM 0 HA SER A 71 -5.169 -12.360 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.791 -11.491 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.557 -10.002 5.608 1.00 0.00 H new ATOM 0 HG SER A 71 -4.855 -11.320 7.080 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.853 -10.101 3.850 1.00 0.00 N ATOM 1035 CA LEU A 72 -8.028 -9.262 4.055 1.00 0.00 C ATOM 1036 C LEU A 72 -9.308 -10.088 3.977 1.00 0.00 C ATOM 1037 O LEU A 72 -9.271 -11.283 3.680 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.066 -8.141 3.015 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.711 -7.583 2.579 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.876 -6.645 1.394 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -6.032 -6.867 3.738 1.00 0.00 C ATOM 0 H LEU A 72 -6.711 -10.399 2.885 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.961 -8.823 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.586 -8.510 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.662 -7.321 3.416 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.079 -8.416 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.901 -6.258 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.320 -7.188 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.526 -5.816 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.069 -6.476 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.662 -6.044 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.879 -7.568 4.559 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.439 -9.444 4.243 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.731 -10.119 4.201 1.00 0.00 C ATOM 1055 C LEU A 73 -12.538 -9.673 2.985 1.00 0.00 C ATOM 1056 O LEU A 73 -12.589 -8.492 2.642 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.519 -9.835 5.481 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.833 -10.225 6.791 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.599 -9.669 7.981 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.705 -11.738 6.896 1.00 0.00 C ATOM 0 H LEU A 73 -10.487 -8.456 4.490 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.551 -11.191 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.745 -8.769 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.472 -10.362 5.422 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.832 -9.794 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.096 -9.957 8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.638 -8.582 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.613 -10.069 7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.215 -11.997 7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.697 -12.190 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.112 -12.112 6.061 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.186 -10.640 2.318 1.00 0.00 N ATOM 1073 CA PRO A 74 -14.005 -10.372 1.132 1.00 0.00 C ATOM 1074 C PRO A 74 -15.283 -9.613 1.470 1.00 0.00 C ATOM 1075 O PRO A 74 -15.730 -9.609 2.617 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.337 -11.770 0.606 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.248 -12.656 1.801 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.170 -12.070 2.671 1.00 0.00 C ATOM 0 HA PRO A 74 -13.483 -9.743 0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.333 -11.800 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.635 -12.078 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.200 -12.694 2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.004 -13.678 1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.379 -12.225 3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.200 -12.523 2.468 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.869 -8.970 0.464 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.091 -8.217 0.675 1.00 0.00 C ATOM 1088 C GLY A 75 -16.951 -7.181 1.774 1.00 0.00 C ATOM 1089 O GLY A 75 -17.936 -6.798 2.406 1.00 0.00 O ATOM 0 H GLY A 75 -15.518 -8.958 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.374 -7.721 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.898 -8.904 0.928 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.723 -6.728 2.004 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.456 -5.731 3.035 1.00 0.00 C ATOM 1095 C LYS A 76 -14.614 -4.587 2.479 1.00 0.00 C ATOM 1096 O LYS A 76 -13.775 -4.789 1.600 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.740 -6.376 4.223 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.648 -7.230 5.090 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.537 -6.375 5.979 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.741 -5.718 7.096 1.00 0.00 C ATOM 1101 NZ LYS A 76 -15.196 -4.395 6.684 1.00 0.00 N ATOM 0 H LYS A 76 -14.897 -7.035 1.491 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.411 -5.326 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.921 -6.992 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.296 -5.593 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.268 -7.863 4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.043 -7.893 5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.024 -5.607 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.326 -6.993 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.379 -5.592 7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.921 -6.373 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.157 -4.437 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.548 -4.155 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.502 -3.667 7.361 1.00 0.00 H new ATOM 1115 N THR A 77 -14.841 -3.385 2.998 1.00 0.00 N ATOM 1116 CA THR A 77 -14.103 -2.209 2.555 1.00 0.00 C ATOM 1117 C THR A 77 -12.882 -1.962 3.434 1.00 0.00 C ATOM 1118 O THR A 77 -12.862 -2.341 4.605 1.00 0.00 O ATOM 1119 CB THR A 77 -14.992 -0.951 2.565 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.122 -1.142 1.706 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.206 0.271 2.112 1.00 0.00 C ATOM 0 H THR A 77 -15.531 -3.200 3.726 1.00 0.00 H new ATOM 0 HA THR A 77 -13.778 -2.407 1.534 1.00 0.00 H new ATOM 0 HB THR A 77 -15.336 -0.785 3.586 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.683 -0.338 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.855 1.147 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.363 0.432 2.785 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.836 0.111 1.099 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.867 -1.323 2.863 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.642 -1.027 3.595 1.00 0.00 C ATOM 1131 C TYR A 78 -10.037 0.295 3.132 1.00 0.00 C ATOM 1132 O TYR A 78 -9.872 0.530 1.935 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.627 -2.157 3.411 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.946 -3.394 4.220 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.955 -4.264 3.827 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.237 -3.693 5.377 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.250 -5.395 4.564 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.524 -4.822 6.119 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.531 -5.670 5.709 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.821 -6.796 6.444 1.00 0.00 O ATOM 0 H TYR A 78 -11.869 -1.000 1.895 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.892 -0.941 4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.581 -2.425 2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.638 -1.795 3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.519 -4.053 2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.448 -3.031 5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.039 -6.060 4.246 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.963 -5.039 7.016 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.223 -6.844 7.219 1.00 0.00 H new ATOM 1150 N SER A 79 -9.708 1.155 4.090 1.00 0.00 N ATOM 1151 CA SER A 79 -9.123 2.456 3.783 1.00 0.00 C ATOM 1152 C SER A 79 -7.607 2.353 3.656 1.00 0.00 C ATOM 1153 O SER A 79 -6.910 2.044 4.623 1.00 0.00 O ATOM 1154 CB SER A 79 -9.488 3.472 4.867 1.00 0.00 C ATOM 1155 OG SER A 79 -8.521 3.483 5.902 1.00 0.00 O ATOM 0 H SER A 79 -9.836 0.975 5.086 1.00 0.00 H new ATOM 0 HA SER A 79 -9.528 2.793 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.565 4.466 4.427 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.467 3.230 5.282 1.00 0.00 H new ATOM 0 HG SER A 79 -7.928 2.709 5.803 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.101 2.616 2.455 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.667 2.553 2.199 1.00 0.00 C ATOM 1163 C PHE A 80 -5.063 3.953 2.137 1.00 0.00 C ATOM 1164 O PHE A 80 -5.775 4.939 1.949 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.393 1.809 0.890 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.765 0.355 0.938 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.078 -0.045 0.742 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.803 -0.613 1.178 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.423 -1.382 0.786 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.143 -1.952 1.223 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.455 -2.337 1.026 1.00 0.00 C ATOM 0 H PHE A 80 -7.663 2.875 1.644 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.200 2.011 3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.947 2.291 0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.334 1.897 0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.840 0.697 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.776 -0.318 1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.450 -1.680 0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.384 -2.696 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.723 -3.383 1.060 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.746 4.030 2.298 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.046 5.309 2.263 1.00 0.00 C ATOM 1183 C ARG A 81 -1.674 5.160 1.612 1.00 0.00 C ATOM 1184 O ARG A 81 -1.295 4.070 1.181 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.893 5.870 3.677 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.114 6.633 4.165 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.273 6.524 5.674 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.580 7.600 6.377 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.769 7.879 7.662 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.624 7.164 8.380 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -3.100 8.874 8.231 1.00 0.00 N ATOM 0 H ARG A 81 -3.142 3.223 2.454 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.639 6.003 1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.689 5.049 4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.027 6.531 3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.026 7.682 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.007 6.245 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.332 6.548 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.885 5.563 6.011 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.915 8.168 5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.138 6.398 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.767 7.380 9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.440 9.425 7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.245 9.088 9.218 1.00 0.00 H new ATOM 1205 N LEU A 82 -0.935 6.261 1.544 1.00 0.00 N ATOM 1206 CA LEU A 82 0.396 6.254 0.945 1.00 0.00 C ATOM 1207 C LEU A 82 1.237 7.410 1.474 1.00 0.00 C ATOM 1208 O LEU A 82 0.733 8.514 1.683 1.00 0.00 O ATOM 1209 CB LEU A 82 0.291 6.339 -0.579 1.00 0.00 C ATOM 1210 CG LEU A 82 1.616 6.403 -1.340 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.357 5.079 -1.232 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.377 6.765 -2.798 1.00 0.00 C ATOM 0 H LEU A 82 -1.234 7.170 1.896 1.00 0.00 H new ATOM 0 HA LEU A 82 0.886 5.319 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.267 5.473 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.295 7.222 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 82 2.234 7.180 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.297 5.143 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.561 4.861 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.744 4.283 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.331 6.806 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.740 6.011 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.889 7.738 -2.856 1.00 0.00 H new ATOM 1224 N ARG A 83 2.523 7.151 1.688 1.00 0.00 N ATOM 1225 CA ARG A 83 3.435 8.170 2.191 1.00 0.00 C ATOM 1226 C ARG A 83 4.848 7.948 1.658 1.00 0.00 C ATOM 1227 O ARG A 83 5.354 6.827 1.664 1.00 0.00 O ATOM 1228 CB ARG A 83 3.449 8.161 3.721 1.00 0.00 C ATOM 1229 CG ARG A 83 4.125 6.938 4.317 1.00 0.00 C ATOM 1230 CD ARG A 83 4.232 7.041 5.830 1.00 0.00 C ATOM 1231 NE ARG A 83 4.524 5.751 6.448 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.002 5.618 7.681 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.239 6.690 8.423 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.243 4.409 8.173 1.00 0.00 N ATOM 0 H ARG A 83 2.957 6.243 1.521 1.00 0.00 H new ATOM 0 HA ARG A 83 3.082 9.141 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.959 9.057 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.423 8.212 4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.561 6.044 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.121 6.826 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.015 7.753 6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.298 7.433 6.233 1.00 0.00 H new ATOM 0 HE ARG A 83 4.352 4.906 5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.055 7.621 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.606 6.585 9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.061 3.582 7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.610 4.307 9.119 1.00 0.00 H new ATOM 1248 N ALA A 84 5.477 9.024 1.197 1.00 0.00 N ATOM 1249 CA ALA A 84 6.830 8.947 0.662 1.00 0.00 C ATOM 1250 C ALA A 84 7.854 9.421 1.688 1.00 0.00 C ATOM 1251 O ALA A 84 7.548 10.244 2.550 1.00 0.00 O ATOM 1252 CB ALA A 84 6.940 9.767 -0.615 1.00 0.00 C ATOM 0 H ALA A 84 5.071 9.959 1.183 1.00 0.00 H new ATOM 0 HA ALA A 84 7.044 7.904 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.956 9.700 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.242 9.380 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.701 10.809 -0.400 1.00 0.00 H new ATOM 1258 N ALA A 85 9.071 8.897 1.588 1.00 0.00 N ATOM 1259 CA ALA A 85 10.141 9.269 2.506 1.00 0.00 C ATOM 1260 C ALA A 85 11.397 9.681 1.748 1.00 0.00 C ATOM 1261 O ALA A 85 11.694 9.145 0.681 1.00 0.00 O ATOM 1262 CB ALA A 85 10.447 8.117 3.452 1.00 0.00 C ATOM 0 H ALA A 85 9.341 8.214 0.881 1.00 0.00 H new ATOM 0 HA ALA A 85 9.804 10.126 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.248 8.408 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.554 7.871 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.759 7.246 2.876 1.00 0.00 H new ATOM 1268 N ASN A 86 12.132 10.639 2.305 1.00 0.00 N ATOM 1269 CA ASN A 86 13.357 11.124 1.679 1.00 0.00 C ATOM 1270 C ASN A 86 14.450 11.342 2.721 1.00 0.00 C ATOM 1271 O ASN A 86 14.271 11.033 3.899 1.00 0.00 O ATOM 1272 CB ASN A 86 13.087 12.429 0.926 1.00 0.00 C ATOM 1273 CG ASN A 86 12.364 13.451 1.782 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.190 13.258 2.985 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.938 14.546 1.162 1.00 0.00 N ATOM 0 H ASN A 86 11.901 11.094 3.188 1.00 0.00 H new ATOM 0 HA ASN A 86 13.699 10.368 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.032 12.850 0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.492 12.217 0.038 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.444 15.269 1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.105 14.664 0.163 1.00 0.00 H new ATOM 1282 N LYS A 87 15.583 11.877 2.278 1.00 0.00 N ATOM 1283 CA LYS A 87 16.706 12.139 3.171 1.00 0.00 C ATOM 1284 C LYS A 87 16.235 12.821 4.452 1.00 0.00 C ATOM 1285 O LYS A 87 16.924 12.791 5.471 1.00 0.00 O ATOM 1286 CB LYS A 87 17.749 13.012 2.469 1.00 0.00 C ATOM 1287 CG LYS A 87 17.165 14.259 1.828 1.00 0.00 C ATOM 1288 CD LYS A 87 18.255 15.175 1.296 1.00 0.00 C ATOM 1289 CE LYS A 87 17.852 16.638 1.394 1.00 0.00 C ATOM 1290 NZ LYS A 87 18.454 17.454 0.304 1.00 0.00 N ATOM 0 H LYS A 87 15.748 12.138 1.306 1.00 0.00 H new ATOM 0 HA LYS A 87 17.159 11.183 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.510 13.307 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.250 12.420 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.499 13.973 1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.561 14.797 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.175 15.012 1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.467 14.924 0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.766 16.719 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.163 17.036 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.418 18.460 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.444 17.168 0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.921 17.304 -0.576 1.00 0.00 H new ATOM 1304 N MET A 88 15.057 13.434 4.392 1.00 0.00 N ATOM 1305 CA MET A 88 14.494 14.120 5.549 1.00 0.00 C ATOM 1306 C MET A 88 13.711 13.151 6.428 1.00 0.00 C ATOM 1307 O MET A 88 13.957 13.049 7.629 1.00 0.00 O ATOM 1308 CB MET A 88 13.586 15.265 5.097 1.00 0.00 C ATOM 1309 CG MET A 88 14.330 16.390 4.394 1.00 0.00 C ATOM 1310 SD MET A 88 15.587 17.150 5.439 1.00 0.00 S ATOM 1311 CE MET A 88 17.054 16.279 4.892 1.00 0.00 C ATOM 0 H MET A 88 14.475 13.470 3.555 1.00 0.00 H new ATOM 0 HA MET A 88 15.318 14.528 6.134 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.823 14.870 4.426 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.067 15.671 5.965 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.800 16.001 3.491 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.616 17.151 4.079 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.282 15.476 5.592 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.879 15.858 3.902 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.894 16.972 4.849 1.00 0.00 H new ATOM 1321 N GLY A 89 12.765 12.441 5.821 1.00 0.00 N ATOM 1322 CA GLY A 89 11.959 11.489 6.565 1.00 0.00 C ATOM 1323 C GLY A 89 10.638 11.191 5.884 1.00 0.00 C ATOM 1324 O GLY A 89 10.430 11.561 4.728 1.00 0.00 O ATOM 0 H GLY A 89 12.542 12.508 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.518 10.562 6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.769 11.881 7.564 1.00 0.00 H new ATOM 1328 N PHE A 90 9.743 10.519 6.601 1.00 0.00 N ATOM 1329 CA PHE A 90 8.436 10.169 6.058 1.00 0.00 C ATOM 1330 C PHE A 90 7.454 11.327 6.214 1.00 0.00 C ATOM 1331 O PHE A 90 7.326 11.906 7.292 1.00 0.00 O ATOM 1332 CB PHE A 90 7.887 8.923 6.756 1.00 0.00 C ATOM 1333 CG PHE A 90 8.346 7.636 6.133 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.699 7.120 5.021 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.423 6.941 6.659 1.00 0.00 C ATOM 1336 CE1 PHE A 90 8.119 5.936 4.444 1.00 0.00 C ATOM 1337 CE2 PHE A 90 9.847 5.756 6.086 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.193 5.253 4.978 1.00 0.00 C ATOM 0 H PHE A 90 9.899 10.206 7.559 1.00 0.00 H new ATOM 0 HA PHE A 90 8.557 9.958 4.995 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.191 8.939 7.803 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.798 8.957 6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.857 7.649 4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 90 9.937 7.329 7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.607 5.546 3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.689 5.224 6.504 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.522 4.327 4.530 1.00 0.00 H new ATOM 1348 N GLY A 91 6.763 11.659 5.128 1.00 0.00 N ATOM 1349 CA GLY A 91 5.802 12.746 5.164 1.00 0.00 C ATOM 1350 C GLY A 91 4.400 12.270 5.489 1.00 0.00 C ATOM 1351 O GLY A 91 4.190 11.135 5.916 1.00 0.00 O ATOM 0 H GLY A 91 6.851 11.195 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.115 13.479 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.796 13.253 4.199 1.00 0.00 H new ATOM 1355 N PRO A 92 3.410 13.153 5.289 1.00 0.00 N ATOM 1356 CA PRO A 92 2.004 12.840 5.559 1.00 0.00 C ATOM 1357 C PRO A 92 1.435 11.828 4.570 1.00 0.00 C ATOM 1358 O PRO A 92 1.817 11.807 3.399 1.00 0.00 O ATOM 1359 CB PRO A 92 1.303 14.192 5.404 1.00 0.00 C ATOM 1360 CG PRO A 92 2.182 14.971 4.488 1.00 0.00 C ATOM 1361 CD PRO A 92 3.587 14.524 4.783 1.00 0.00 C ATOM 0 HA PRO A 92 1.869 12.385 6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.303 14.074 4.987 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.191 14.692 6.366 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.923 14.783 3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.070 16.042 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.211 14.545 3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.066 15.166 5.522 1.00 0.00 H new ATOM 1369 N PHE A 93 0.520 10.991 5.047 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.102 9.976 4.204 1.00 0.00 C ATOM 1371 C PHE A 93 -1.062 10.613 3.204 1.00 0.00 C ATOM 1372 O PHE A 93 -1.425 11.782 3.334 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.848 8.955 5.065 1.00 0.00 C ATOM 1374 CG PHE A 93 0.002 7.789 5.484 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.371 6.818 4.567 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.432 7.664 6.796 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.154 5.745 4.949 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.215 6.593 7.184 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.575 5.632 6.260 1.00 0.00 C ATOM 0 H PHE A 93 0.192 10.995 6.013 1.00 0.00 H new ATOM 0 HA PHE A 93 0.686 9.467 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.231 9.453 5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.710 8.585 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.043 6.901 3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.152 8.412 7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.436 4.996 4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.545 6.508 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.185 4.793 6.562 1.00 0.00 H new ATOM 1389 N SER A 94 -1.469 9.836 2.206 1.00 0.00 N ATOM 1390 CA SER A 94 -2.384 10.324 1.181 1.00 0.00 C ATOM 1391 C SER A 94 -3.831 10.238 1.658 1.00 0.00 C ATOM 1392 O SER A 94 -4.096 9.896 2.810 1.00 0.00 O ATOM 1393 CB SER A 94 -2.212 9.521 -0.110 1.00 0.00 C ATOM 1394 OG SER A 94 -2.692 8.197 0.045 1.00 0.00 O ATOM 0 H SER A 94 -1.180 8.865 2.085 1.00 0.00 H new ATOM 0 HA SER A 94 -2.146 11.370 0.985 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.748 10.013 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.159 9.499 -0.391 1.00 0.00 H new ATOM 0 HG SER A 94 -3.668 8.191 -0.042 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.762 10.551 0.762 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.182 10.510 1.092 1.00 0.00 C ATOM 1402 C GLU A 95 -6.664 9.070 1.242 1.00 0.00 C ATOM 1403 O GLU A 95 -6.357 8.211 0.416 1.00 0.00 O ATOM 1404 CB GLU A 95 -6.999 11.223 0.013 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.662 12.698 -0.132 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.545 13.402 -1.143 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.706 12.975 -1.318 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -7.076 14.381 -1.760 1.00 0.00 O ATOM 0 H GLU A 95 -4.559 10.835 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.323 11.023 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.834 10.726 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.059 11.123 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.764 13.187 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.619 12.801 -0.432 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.421 8.814 2.304 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.948 7.480 2.565 1.00 0.00 C ATOM 1417 C LYS A 96 -8.794 6.990 1.394 1.00 0.00 C ATOM 1418 O LYS A 96 -9.923 7.442 1.200 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.784 7.481 3.847 1.00 0.00 C ATOM 1420 CG LYS A 96 -7.967 7.712 5.106 1.00 0.00 C ATOM 1421 CD LYS A 96 -8.852 7.793 6.338 1.00 0.00 C ATOM 1422 CE LYS A 96 -9.524 9.152 6.453 1.00 0.00 C ATOM 1423 NZ LYS A 96 -9.886 9.475 7.861 1.00 0.00 N ATOM 0 H LYS A 96 -7.683 9.514 2.998 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.104 6.801 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.547 8.255 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.305 6.527 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.247 6.903 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.396 8.635 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.612 7.013 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.254 7.605 7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.857 9.921 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.422 9.167 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.342 10.409 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.543 8.755 8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.027 9.486 8.447 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.242 6.065 0.617 1.00 0.00 N ATOM 1438 CA CYS A 97 -8.946 5.513 -0.535 1.00 0.00 C ATOM 1439 C CYS A 97 -9.706 4.247 -0.152 1.00 0.00 C ATOM 1440 O CYS A 97 -9.106 3.202 0.097 1.00 0.00 O ATOM 1441 CB CYS A 97 -7.961 5.209 -1.664 1.00 0.00 C ATOM 1442 SG CYS A 97 -8.743 4.656 -3.197 1.00 0.00 S ATOM 0 H CYS A 97 -7.308 5.681 0.764 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.665 6.256 -0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.374 6.104 -1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.264 4.442 -1.327 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.836 4.193 -4.005 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.030 4.349 -0.106 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.873 3.213 0.247 1.00 0.00 C ATOM 1450 C ASP A 98 -11.926 2.201 -0.893 1.00 0.00 C ATOM 1451 O ASP A 98 -12.274 2.543 -2.024 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.286 3.686 0.592 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.202 3.702 -0.616 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.743 2.632 -0.963 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -14.378 4.785 -1.214 1.00 0.00 O ATOM 0 H ASP A 98 -11.543 5.207 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.438 2.727 1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.708 3.033 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.237 4.687 1.020 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.579 0.955 -0.589 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.588 -0.106 -1.588 1.00 0.00 C ATOM 1462 C ILE A 99 -12.342 -1.331 -1.083 1.00 0.00 C ATOM 1463 O ILE A 99 -12.000 -1.902 -0.047 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.157 -0.523 -1.979 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.387 0.677 -2.535 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.194 -1.653 -2.996 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.003 0.326 -3.036 1.00 0.00 C ATOM 0 H ILE A 99 -11.288 0.656 0.342 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.095 0.293 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.642 -0.880 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.959 1.119 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.302 1.436 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.176 -1.936 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.709 -2.512 -2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.724 -1.321 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.515 1.224 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.414 -0.089 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.081 -0.410 -3.836 1.00 0.00 H new ATOM 1479 N THR A 100 -13.371 -1.732 -1.823 1.00 0.00 N ATOM 1480 CA THR A 100 -14.174 -2.890 -1.451 1.00 0.00 C ATOM 1481 C THR A 100 -13.688 -4.148 -2.162 1.00 0.00 C ATOM 1482 O THR A 100 -13.628 -4.195 -3.391 1.00 0.00 O ATOM 1483 CB THR A 100 -15.663 -2.670 -1.781 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.083 -1.382 -1.317 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.524 -3.750 -1.143 1.00 0.00 C ATOM 0 H THR A 100 -13.668 -1.272 -2.684 1.00 0.00 H new ATOM 0 HA THR A 100 -14.063 -3.019 -0.374 1.00 0.00 H new ATOM 0 HB THR A 100 -15.784 -2.723 -2.863 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.091 -1.374 -0.337 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.571 -3.574 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.222 -4.727 -1.521 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.397 -3.724 -0.061 1.00 0.00 H new ATOM 1493 N THR A 101 -13.342 -5.167 -1.382 1.00 0.00 N ATOM 1494 CA THR A 101 -12.861 -6.425 -1.937 1.00 0.00 C ATOM 1495 C THR A 101 -13.971 -7.158 -2.683 1.00 0.00 C ATOM 1496 O THR A 101 -15.097 -6.670 -2.773 1.00 0.00 O ATOM 1497 CB THR A 101 -12.302 -7.348 -0.837 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.272 -7.512 0.204 1.00 0.00 O ATOM 1499 CG2 THR A 101 -11.017 -6.778 -0.255 1.00 0.00 C ATOM 0 H THR A 101 -13.386 -5.145 -0.363 1.00 0.00 H new ATOM 0 HA THR A 101 -12.061 -6.176 -2.634 1.00 0.00 H new ATOM 0 HB THR A 101 -12.081 -8.318 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.820 -7.770 1.034 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.641 -7.446 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.272 -6.681 -1.044 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.217 -5.798 0.177 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.645 -8.331 -3.215 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.616 -9.132 -3.951 1.00 0.00 C ATOM 1509 C ALA A 102 -15.501 -9.932 -3.001 1.00 0.00 C ATOM 1510 O ALA A 102 -15.092 -10.307 -1.902 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.905 -10.063 -4.922 1.00 0.00 C ATOM 0 H ALA A 102 -12.716 -8.748 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.255 -8.454 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.642 -10.655 -5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.321 -9.474 -5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.242 -10.728 -4.369 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.743 -10.198 -3.431 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.711 -10.956 -2.633 1.00 0.00 C ATOM 1519 C PRO A 103 -17.334 -12.428 -2.507 1.00 0.00 C ATOM 1520 O PRO A 103 -18.068 -13.219 -1.916 1.00 0.00 O ATOM 1521 CB PRO A 103 -19.016 -10.804 -3.420 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.584 -10.554 -4.823 1.00 0.00 C ATOM 1523 CD PRO A 103 -17.297 -9.782 -4.730 1.00 0.00 C ATOM 0 HA PRO A 103 -17.769 -10.589 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.629 -11.703 -3.348 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.616 -9.978 -3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.438 -11.492 -5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.339 -9.989 -5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.622 -10.025 -5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.470 -8.706 -4.767 1.00 0.00 H new ATOM 1531 N GLY A 104 -16.182 -12.789 -3.066 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.727 -14.165 -3.004 1.00 0.00 C ATOM 1533 C GLY A 104 -16.171 -14.977 -4.204 1.00 0.00 C ATOM 1534 O GLY A 104 -17.166 -14.648 -4.851 1.00 0.00 O ATOM 0 H GLY A 104 -15.557 -12.153 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.639 -14.182 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -16.107 -14.629 -2.094 1.00 0.00 H new ATOM 1538 N SER A 105 -15.432 -16.040 -4.504 1.00 0.00 N ATOM 1539 CA SER A 105 -15.752 -16.899 -5.639 1.00 0.00 C ATOM 1540 C SER A 105 -17.154 -17.485 -5.498 1.00 0.00 C ATOM 1541 O SER A 105 -17.686 -17.593 -4.394 1.00 0.00 O ATOM 1542 CB SER A 105 -14.725 -18.026 -5.759 1.00 0.00 C ATOM 1543 OG SER A 105 -15.107 -18.961 -6.752 1.00 0.00 O ATOM 0 H SER A 105 -14.607 -16.327 -3.977 1.00 0.00 H new ATOM 0 HA SER A 105 -15.720 -16.291 -6.543 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.749 -17.608 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 105 -14.622 -18.532 -4.799 1.00 0.00 H new ATOM 0 HG SER A 105 -14.433 -19.670 -6.810 1.00 0.00 H new ATOM 1549 N GLY A 106 -17.746 -17.864 -6.626 1.00 0.00 N ATOM 1550 CA GLY A 106 -19.080 -18.434 -6.608 1.00 0.00 C ATOM 1551 C GLY A 106 -19.250 -19.478 -5.522 1.00 0.00 C ATOM 1552 O GLY A 106 -18.356 -20.284 -5.261 1.00 0.00 O ATOM 0 H GLY A 106 -17.326 -17.786 -7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -19.810 -17.638 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -19.292 -18.885 -7.577 1.00 0.00 H new ATOM 1556 N PRO A 107 -20.420 -19.471 -4.867 1.00 0.00 N ATOM 1557 CA PRO A 107 -20.730 -20.418 -3.791 1.00 0.00 C ATOM 1558 C PRO A 107 -20.916 -21.841 -4.307 1.00 0.00 C ATOM 1559 O PRO A 107 -20.950 -22.794 -3.528 1.00 0.00 O ATOM 1560 CB PRO A 107 -22.044 -19.882 -3.216 1.00 0.00 C ATOM 1561 CG PRO A 107 -22.669 -19.126 -4.337 1.00 0.00 C ATOM 1562 CD PRO A 107 -21.530 -18.539 -5.125 1.00 0.00 C ATOM 0 HA PRO A 107 -19.924 -20.484 -3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -22.688 -20.694 -2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -21.866 -19.238 -2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -23.277 -19.782 -4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -23.328 -18.343 -3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -21.765 -18.479 -6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -21.291 -17.528 -4.794 1.00 0.00 H new ATOM 1570 N SER A 108 -21.034 -21.977 -5.623 1.00 0.00 N ATOM 1571 CA SER A 108 -21.219 -23.285 -6.243 1.00 0.00 C ATOM 1572 C SER A 108 -19.951 -23.729 -6.964 1.00 0.00 C ATOM 1573 O SER A 108 -18.965 -22.993 -7.020 1.00 0.00 O ATOM 1574 CB SER A 108 -22.391 -23.246 -7.225 1.00 0.00 C ATOM 1575 OG SER A 108 -22.012 -22.636 -8.447 1.00 0.00 O ATOM 0 H SER A 108 -21.005 -21.198 -6.281 1.00 0.00 H new ATOM 0 HA SER A 108 -21.438 -24.005 -5.455 1.00 0.00 H new ATOM 0 HB2 SER A 108 -22.744 -24.260 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 108 -23.222 -22.696 -6.783 1.00 0.00 H new ATOM 0 HG SER A 108 -22.778 -22.625 -9.058 1.00 0.00 H new ATOM 1581 N SER A 109 -19.983 -24.938 -7.515 1.00 0.00 N ATOM 1582 CA SER A 109 -18.835 -25.483 -8.230 1.00 0.00 C ATOM 1583 C SER A 109 -18.274 -24.462 -9.216 1.00 0.00 C ATOM 1584 O SER A 109 -17.067 -24.225 -9.262 1.00 0.00 O ATOM 1585 CB SER A 109 -19.230 -26.761 -8.973 1.00 0.00 C ATOM 1586 OG SER A 109 -19.505 -27.814 -8.065 1.00 0.00 O ATOM 0 H SER A 109 -20.792 -25.559 -7.480 1.00 0.00 H new ATOM 0 HA SER A 109 -18.062 -25.720 -7.499 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.108 -26.570 -9.590 1.00 0.00 H new ATOM 0 HB3 SER A 109 -18.426 -27.058 -9.646 1.00 0.00 H new ATOM 0 HG SER A 109 -19.757 -28.619 -8.564 1.00 0.00 H new ATOM 1592 N GLY A 110 -19.160 -23.859 -10.003 1.00 0.00 N ATOM 1593 CA GLY A 110 -18.735 -22.871 -10.977 1.00 0.00 C ATOM 1594 C GLY A 110 -19.524 -22.953 -12.269 1.00 0.00 C ATOM 1595 O GLY A 110 -19.272 -23.822 -13.104 1.00 0.00 O ATOM 0 H GLY A 110 -20.164 -24.037 -9.983 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -18.845 -21.874 -10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -17.676 -23.010 -11.192 1.00 0.00 H new TER 1599 GLY A 110