USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 554 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ 150:sc= -0.019 (180deg=-1.05) USER MOD Set 2.1: A 2 SER OG : rot 37:sc= 0.836 USER MOD Set 2.2: A 6 SER OG : rot 68:sc= 0.224 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=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 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= -0.176 (180deg=-1.27!) USER MOD Single : A 35 SER OG : rot 22:sc= 0.249 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 43 TYR OH : rot 150:sc=-0.00807 USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= 0.294 (180deg=-1.96!) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -0.132 (180deg=-1.19) USER MOD Single : A 48 ASN : amide:sc= -9.46! C(o=-9.5!,f=-16!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -117:sc= -0.122 (180deg=-0.987) USER MOD Single : A 58 ASN : amide:sc= -1.54! C(o=-1.5!,f=-1.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.681 USER MOD Single : A 67 ASN : amide:sc= -0.111 K(o=-0.11,f=-3!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 55:sc= 0.998 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.890 -17.974 -1.172 1.00 0.00 N ATOM 2 CA GLY A 1 4.266 -18.326 -1.469 1.00 0.00 C ATOM 3 C GLY A 1 5.218 -17.926 -0.361 1.00 0.00 C ATOM 4 O GLY A 1 6.121 -17.115 -0.572 1.00 0.00 O ATOM 0 H1 GLY A 1 2.279 -18.268 -1.960 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.589 -18.456 -0.301 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.815 -16.945 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.335 -19.401 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.570 -17.842 -2.397 1.00 0.00 H new ATOM 8 N SER A 2 5.018 -18.493 0.825 1.00 0.00 N ATOM 9 CA SER A 2 5.864 -18.184 1.972 1.00 0.00 C ATOM 10 C SER A 2 5.660 -19.206 3.087 1.00 0.00 C ATOM 11 O SER A 2 4.606 -19.247 3.720 1.00 0.00 O ATOM 12 CB SER A 2 5.561 -16.777 2.493 1.00 0.00 C ATOM 13 OG SER A 2 4.219 -16.675 2.933 1.00 0.00 O ATOM 0 H SER A 2 4.278 -19.168 1.016 1.00 0.00 H new ATOM 0 HA SER A 2 6.904 -18.227 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.236 -16.537 3.315 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.745 -16.046 1.705 1.00 0.00 H new ATOM 0 HG SER A 2 3.951 -17.514 3.364 1.00 0.00 H new ATOM 19 N SER A 3 6.678 -20.028 3.320 1.00 0.00 N ATOM 20 CA SER A 3 6.610 -21.054 4.355 1.00 0.00 C ATOM 21 C SER A 3 6.660 -20.426 5.746 1.00 0.00 C ATOM 22 O SER A 3 7.733 -20.242 6.317 1.00 0.00 O ATOM 23 CB SER A 3 7.758 -22.050 4.192 1.00 0.00 C ATOM 24 OG SER A 3 7.545 -23.209 4.979 1.00 0.00 O ATOM 0 H SER A 3 7.559 -20.004 2.807 1.00 0.00 H new ATOM 0 HA SER A 3 5.663 -21.582 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.853 -22.331 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.697 -21.578 4.482 1.00 0.00 H new ATOM 0 HG SER A 3 8.293 -23.830 4.855 1.00 0.00 H new ATOM 30 N GLY A 4 5.488 -20.100 6.283 1.00 0.00 N ATOM 31 CA GLY A 4 5.419 -19.496 7.601 1.00 0.00 C ATOM 32 C GLY A 4 6.348 -18.306 7.744 1.00 0.00 C ATOM 33 O GLY A 4 6.605 -17.591 6.775 1.00 0.00 O ATOM 0 H GLY A 4 4.586 -20.243 5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.395 -19.179 7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.672 -20.243 8.353 1.00 0.00 H new ATOM 37 N SER A 5 6.854 -18.095 8.954 1.00 0.00 N ATOM 38 CA SER A 5 7.755 -16.980 9.222 1.00 0.00 C ATOM 39 C SER A 5 7.192 -15.678 8.661 1.00 0.00 C ATOM 40 O SER A 5 7.897 -14.917 7.998 1.00 0.00 O ATOM 41 CB SER A 5 9.134 -17.255 8.616 1.00 0.00 C ATOM 42 OG SER A 5 9.894 -18.114 9.447 1.00 0.00 O ATOM 0 H SER A 5 6.656 -18.681 9.765 1.00 0.00 H new ATOM 0 HA SER A 5 7.853 -16.877 10.303 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.018 -17.706 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.667 -16.315 8.475 1.00 0.00 H new ATOM 0 HG SER A 5 10.769 -18.275 9.037 1.00 0.00 H new ATOM 48 N SER A 6 5.915 -15.429 8.932 1.00 0.00 N ATOM 49 CA SER A 6 5.252 -14.221 8.454 1.00 0.00 C ATOM 50 C SER A 6 4.371 -13.616 9.541 1.00 0.00 C ATOM 51 O SER A 6 3.716 -14.333 10.295 1.00 0.00 O ATOM 52 CB SER A 6 4.411 -14.532 7.213 1.00 0.00 C ATOM 53 OG SER A 6 5.234 -14.869 6.109 1.00 0.00 O ATOM 0 H SER A 6 5.318 -16.048 9.481 1.00 0.00 H new ATOM 0 HA SER A 6 6.021 -13.495 8.191 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.731 -15.356 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.796 -13.668 6.961 1.00 0.00 H new ATOM 0 HG SER A 6 5.671 -15.730 6.278 1.00 0.00 H new ATOM 59 N GLY A 7 4.360 -12.288 9.615 1.00 0.00 N ATOM 60 CA GLY A 7 3.556 -11.607 10.614 1.00 0.00 C ATOM 61 C GLY A 7 2.544 -10.662 9.997 1.00 0.00 C ATOM 62 O GLY A 7 2.632 -9.448 10.173 1.00 0.00 O ATOM 0 H GLY A 7 4.893 -11.672 9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.035 -12.346 11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.210 -11.048 11.283 1.00 0.00 H new ATOM 66 N ASP A 8 1.581 -11.221 9.272 1.00 0.00 N ATOM 67 CA ASP A 8 0.547 -10.421 8.627 1.00 0.00 C ATOM 68 C ASP A 8 -0.807 -10.640 9.294 1.00 0.00 C ATOM 69 O ASP A 8 -1.139 -11.742 9.733 1.00 0.00 O ATOM 70 CB ASP A 8 0.460 -10.766 7.138 1.00 0.00 C ATOM 71 CG ASP A 8 0.682 -12.242 6.874 1.00 0.00 C ATOM 72 OD1 ASP A 8 -0.074 -13.065 7.429 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.613 -12.573 6.110 1.00 0.00 O ATOM 0 H ASP A 8 1.495 -12.225 9.116 1.00 0.00 H new ATOM 0 HA ASP A 8 0.816 -9.370 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.519 -10.474 6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.202 -10.186 6.589 1.00 0.00 H new ATOM 78 N PRO A 9 -1.608 -9.567 9.375 1.00 0.00 N ATOM 79 CA PRO A 9 -2.938 -9.617 9.988 1.00 0.00 C ATOM 80 C PRO A 9 -3.932 -10.420 9.153 1.00 0.00 C ATOM 81 O PRO A 9 -3.674 -10.763 8.000 1.00 0.00 O ATOM 82 CB PRO A 9 -3.357 -8.147 10.050 1.00 0.00 C ATOM 83 CG PRO A 9 -2.586 -7.487 8.960 1.00 0.00 C ATOM 84 CD PRO A 9 -1.277 -8.224 8.874 1.00 0.00 C ATOM 0 HA PRO A 9 -2.920 -10.110 10.960 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.431 -8.035 9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.124 -7.710 11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.125 -7.538 8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.426 -6.431 9.179 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.902 -8.258 7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.507 -7.747 9.481 1.00 0.00 H new ATOM 92 N PRO A 10 -5.095 -10.723 9.748 1.00 0.00 N ATOM 93 CA PRO A 10 -6.152 -11.486 9.075 1.00 0.00 C ATOM 94 C PRO A 10 -6.817 -10.693 7.956 1.00 0.00 C ATOM 95 O PRO A 10 -7.101 -11.231 6.886 1.00 0.00 O ATOM 96 CB PRO A 10 -7.152 -11.771 10.197 1.00 0.00 C ATOM 97 CG PRO A 10 -6.935 -10.677 11.184 1.00 0.00 C ATOM 98 CD PRO A 10 -5.470 -10.344 11.119 1.00 0.00 C ATOM 0 HA PRO A 10 -5.764 -12.384 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.176 -11.770 9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.976 -12.749 10.645 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.544 -9.806 10.941 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.219 -10.995 12.187 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.290 -9.286 11.307 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.898 -10.901 11.861 1.00 0.00 H new ATOM 106 N TRP A 11 -7.063 -9.414 8.210 1.00 0.00 N ATOM 107 CA TRP A 11 -7.694 -8.546 7.222 1.00 0.00 C ATOM 108 C TRP A 11 -6.850 -8.455 5.956 1.00 0.00 C ATOM 109 O TRP A 11 -7.378 -8.458 4.845 1.00 0.00 O ATOM 110 CB TRP A 11 -7.914 -7.149 7.805 1.00 0.00 C ATOM 111 CG TRP A 11 -6.660 -6.522 8.334 1.00 0.00 C ATOM 112 CD1 TRP A 11 -6.227 -6.520 9.630 1.00 0.00 C ATOM 113 CD2 TRP A 11 -5.677 -5.806 7.581 1.00 0.00 C ATOM 114 NE1 TRP A 11 -5.035 -5.846 9.727 1.00 0.00 N ATOM 115 CE2 TRP A 11 -4.675 -5.397 8.483 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.543 -5.470 6.231 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -3.559 -4.671 8.078 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -4.436 -4.748 5.831 1.00 0.00 C ATOM 119 CH2 TRP A 11 -3.454 -4.354 6.751 1.00 0.00 C ATOM 0 H TRP A 11 -6.835 -8.954 9.092 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.660 -8.979 6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.337 -6.504 7.035 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.648 -7.210 8.608 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.746 -6.981 10.457 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.503 -5.703 10.586 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.292 -5.770 5.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.802 -4.368 8.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.325 -4.482 4.790 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.600 -3.790 6.406 1.00 0.00 H new ATOM 130 N ALA A 12 -5.535 -8.374 6.133 1.00 0.00 N ATOM 131 CA ALA A 12 -4.616 -8.284 5.004 1.00 0.00 C ATOM 132 C ALA A 12 -5.053 -9.204 3.868 1.00 0.00 C ATOM 133 O ALA A 12 -5.566 -10.301 4.087 1.00 0.00 O ATOM 134 CB ALA A 12 -3.201 -8.623 5.448 1.00 0.00 C ATOM 0 H ALA A 12 -5.082 -8.369 7.047 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.632 -7.259 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.525 -8.552 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.885 -7.923 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.178 -9.638 5.846 1.00 0.00 H new ATOM 140 N PRO A 13 -4.843 -8.748 2.624 1.00 0.00 N ATOM 141 CA PRO A 13 -5.208 -9.515 1.429 1.00 0.00 C ATOM 142 C PRO A 13 -4.320 -10.740 1.234 1.00 0.00 C ATOM 143 O PRO A 13 -3.111 -10.686 1.460 1.00 0.00 O ATOM 144 CB PRO A 13 -4.996 -8.516 0.289 1.00 0.00 C ATOM 145 CG PRO A 13 -3.983 -7.555 0.810 1.00 0.00 C ATOM 146 CD PRO A 13 -4.235 -7.450 2.289 1.00 0.00 C ATOM 0 HA PRO A 13 -6.224 -9.906 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.641 -9.014 -0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.925 -8.009 0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.971 -7.908 0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.082 -6.583 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.311 -7.284 2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.902 -6.621 2.525 1.00 0.00 H new ATOM 154 N ARG A 14 -4.929 -11.844 0.815 1.00 0.00 N ATOM 155 CA ARG A 14 -4.195 -13.084 0.590 1.00 0.00 C ATOM 156 C ARG A 14 -3.205 -12.928 -0.560 1.00 0.00 C ATOM 157 O ARG A 14 -2.052 -13.351 -0.462 1.00 0.00 O ATOM 158 CB ARG A 14 -5.164 -14.229 0.292 1.00 0.00 C ATOM 159 CG ARG A 14 -5.750 -14.872 1.540 1.00 0.00 C ATOM 160 CD ARG A 14 -4.869 -16.003 2.048 1.00 0.00 C ATOM 161 NE ARG A 14 -3.829 -15.522 2.954 1.00 0.00 N ATOM 162 CZ ARG A 14 -2.908 -16.310 3.499 1.00 0.00 C ATOM 163 NH1 ARG A 14 -2.898 -17.608 3.232 1.00 0.00 N ATOM 164 NH2 ARG A 14 -1.995 -15.796 4.314 1.00 0.00 N ATOM 0 H ARG A 14 -5.929 -11.906 0.624 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.638 -13.317 1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.977 -13.853 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.645 -14.991 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.864 -14.119 2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.746 -15.256 1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.486 -16.740 2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.406 -16.510 1.201 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.809 -14.528 3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.599 -18.005 2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.190 -18.210 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.001 -14.797 4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.288 -16.400 4.733 1.00 0.00 H new ATOM 178 N SER A 15 -3.663 -12.321 -1.650 1.00 0.00 N ATOM 179 CA SER A 15 -2.818 -12.113 -2.820 1.00 0.00 C ATOM 180 C SER A 15 -2.587 -10.626 -3.067 1.00 0.00 C ATOM 181 O SER A 15 -3.427 -9.791 -2.730 1.00 0.00 O ATOM 182 CB SER A 15 -3.457 -12.753 -4.056 1.00 0.00 C ATOM 183 OG SER A 15 -3.534 -14.162 -3.917 1.00 0.00 O ATOM 0 H SER A 15 -4.614 -11.965 -1.747 1.00 0.00 H new ATOM 0 HA SER A 15 -1.854 -12.586 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.456 -12.344 -4.206 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.874 -12.503 -4.942 1.00 0.00 H new ATOM 0 HG SER A 15 -3.947 -14.548 -4.718 1.00 0.00 H new ATOM 189 N TYR A 16 -1.442 -10.302 -3.656 1.00 0.00 N ATOM 190 CA TYR A 16 -1.097 -8.914 -3.946 1.00 0.00 C ATOM 191 C TYR A 16 0.133 -8.837 -4.848 1.00 0.00 C ATOM 192 O TYR A 16 1.028 -9.679 -4.773 1.00 0.00 O ATOM 193 CB TYR A 16 -0.841 -8.149 -2.647 1.00 0.00 C ATOM 194 CG TYR A 16 0.161 -8.822 -1.735 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.514 -8.845 -2.052 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.246 -9.432 -0.555 1.00 0.00 C ATOM 197 CE1 TYR A 16 2.431 -9.459 -1.223 1.00 0.00 C ATOM 198 CE2 TYR A 16 0.665 -10.049 0.281 1.00 0.00 C ATOM 199 CZ TYR A 16 2.003 -10.059 -0.056 1.00 0.00 C ATOM 200 OH TYR A 16 2.913 -10.671 0.774 1.00 0.00 O ATOM 0 H TYR A 16 -0.736 -10.981 -3.942 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.937 -8.457 -4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.484 -7.148 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.784 -8.031 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.854 -8.374 -2.963 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.292 -9.424 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.478 -9.470 -1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.331 -10.521 1.193 1.00 0.00 H new ATOM 0 HH TYR A 16 2.448 -11.042 1.552 1.00 0.00 H new ATOM 210 N LEU A 17 0.169 -7.816 -5.699 1.00 0.00 N ATOM 211 CA LEU A 17 1.287 -7.625 -6.615 1.00 0.00 C ATOM 212 C LEU A 17 2.607 -7.548 -5.855 1.00 0.00 C ATOM 213 O LEU A 17 3.550 -8.278 -6.158 1.00 0.00 O ATOM 214 CB LEU A 17 1.084 -6.351 -7.438 1.00 0.00 C ATOM 215 CG LEU A 17 0.124 -6.463 -8.622 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.172 -5.088 -9.200 1.00 0.00 C ATOM 217 CD2 LEU A 17 0.698 -7.380 -9.691 1.00 0.00 C ATOM 0 H LEU A 17 -0.563 -7.109 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 17 1.326 -8.483 -7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.720 -5.567 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.055 -6.026 -7.812 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.811 -6.895 -8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.857 -5.187 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.628 -4.461 -8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.756 -4.629 -9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.000 -7.447 -10.526 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.648 -6.978 -10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.858 -8.373 -9.271 1.00 0.00 H new ATOM 229 N GLU A 18 2.664 -6.662 -4.866 1.00 0.00 N ATOM 230 CA GLU A 18 3.869 -6.492 -4.062 1.00 0.00 C ATOM 231 C GLU A 18 3.567 -5.706 -2.790 1.00 0.00 C ATOM 232 O GLU A 18 2.474 -5.163 -2.626 1.00 0.00 O ATOM 233 CB GLU A 18 4.953 -5.778 -4.871 1.00 0.00 C ATOM 234 CG GLU A 18 4.568 -4.371 -5.296 1.00 0.00 C ATOM 235 CD GLU A 18 5.729 -3.605 -5.898 1.00 0.00 C ATOM 236 OE1 GLU A 18 6.566 -3.093 -5.126 1.00 0.00 O ATOM 237 OE2 GLU A 18 5.798 -3.516 -7.142 1.00 0.00 O ATOM 0 H GLU A 18 1.891 -6.051 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 18 4.230 -7.481 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.866 -5.732 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.179 -6.368 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.757 -4.424 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.187 -3.826 -4.432 1.00 0.00 H new ATOM 244 N LYS A 19 4.543 -5.651 -1.890 1.00 0.00 N ATOM 245 CA LYS A 19 4.385 -4.931 -0.631 1.00 0.00 C ATOM 246 C LYS A 19 5.124 -3.597 -0.671 1.00 0.00 C ATOM 247 O LYS A 19 6.074 -3.425 -1.434 1.00 0.00 O ATOM 248 CB LYS A 19 4.903 -5.779 0.533 1.00 0.00 C ATOM 249 CG LYS A 19 4.290 -5.410 1.873 1.00 0.00 C ATOM 250 CD LYS A 19 5.099 -5.975 3.030 1.00 0.00 C ATOM 251 CE LYS A 19 4.634 -7.374 3.405 1.00 0.00 C ATOM 252 NZ LYS A 19 5.134 -8.399 2.449 1.00 0.00 N ATOM 0 H LYS A 19 5.453 -6.097 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 19 3.323 -4.734 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.698 -6.829 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.986 -5.672 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.234 -4.325 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.269 -5.787 1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.154 -6.002 2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.009 -5.317 3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.981 -7.615 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.545 -7.400 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.258 -9.305 2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.447 -8.518 1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.046 -8.091 2.056 1.00 0.00 H new ATOM 266 N VAL A 20 4.680 -2.657 0.156 1.00 0.00 N ATOM 267 CA VAL A 20 5.301 -1.338 0.219 1.00 0.00 C ATOM 268 C VAL A 20 5.194 -0.746 1.619 1.00 0.00 C ATOM 269 O VAL A 20 4.160 -0.859 2.277 1.00 0.00 O ATOM 270 CB VAL A 20 4.656 -0.366 -0.789 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.838 -0.874 -2.212 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.182 -0.170 -0.469 1.00 0.00 C ATOM 0 H VAL A 20 3.893 -2.783 0.792 1.00 0.00 H new ATOM 0 HA VAL A 20 6.352 -1.470 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 20 5.154 0.600 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.376 -0.175 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.902 -0.960 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.366 -1.852 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.742 0.519 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.667 -1.129 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.079 0.241 0.535 1.00 0.00 H new ATOM 282 N VAL A 21 6.273 -0.112 2.070 1.00 0.00 N ATOM 283 CA VAL A 21 6.301 0.501 3.392 1.00 0.00 C ATOM 284 C VAL A 21 6.336 2.022 3.293 1.00 0.00 C ATOM 285 O VAL A 21 7.183 2.590 2.604 1.00 0.00 O ATOM 286 CB VAL A 21 7.517 0.023 4.208 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.810 0.525 3.582 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.403 0.479 5.654 1.00 0.00 C ATOM 0 H VAL A 21 7.138 -0.010 1.539 1.00 0.00 H new ATOM 0 HA VAL A 21 5.388 0.194 3.901 1.00 0.00 H new ATOM 0 HB VAL A 21 7.534 -1.067 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.658 0.178 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.894 0.143 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.805 1.615 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.271 0.132 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.360 1.568 5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.497 0.065 6.096 1.00 0.00 H new ATOM 298 N ALA A 22 5.410 2.676 3.987 1.00 0.00 N ATOM 299 CA ALA A 22 5.337 4.132 3.978 1.00 0.00 C ATOM 300 C ALA A 22 6.447 4.743 4.826 1.00 0.00 C ATOM 301 O ALA A 22 6.573 4.439 6.013 1.00 0.00 O ATOM 302 CB ALA A 22 3.975 4.594 4.477 1.00 0.00 C ATOM 0 H ALA A 22 4.701 2.221 4.562 1.00 0.00 H new ATOM 0 HA ALA A 22 5.471 4.472 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.934 5.683 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.195 4.194 3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.820 4.236 5.495 1.00 0.00 H new ATOM 308 N ILE A 23 7.250 5.604 4.209 1.00 0.00 N ATOM 309 CA ILE A 23 8.350 6.255 4.908 1.00 0.00 C ATOM 310 C ILE A 23 7.953 7.652 5.374 1.00 0.00 C ATOM 311 O ILE A 23 8.386 8.111 6.432 1.00 0.00 O ATOM 312 CB ILE A 23 9.600 6.361 4.015 1.00 0.00 C ATOM 313 CG1 ILE A 23 9.260 7.074 2.705 1.00 0.00 C ATOM 314 CG2 ILE A 23 10.172 4.979 3.738 1.00 0.00 C ATOM 315 CD1 ILE A 23 10.472 7.395 1.858 1.00 0.00 C ATOM 0 H ILE A 23 7.159 5.866 3.227 1.00 0.00 H new ATOM 0 HA ILE A 23 8.584 5.637 5.775 1.00 0.00 H new ATOM 0 HB ILE A 23 10.354 6.947 4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.579 6.449 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.730 7.999 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.055 5.071 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.448 4.504 4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.424 4.371 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.155 7.900 0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.145 8.045 2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.991 6.472 1.600 1.00 0.00 H new ATOM 327 N TYR A 24 7.127 8.324 4.579 1.00 0.00 N ATOM 328 CA TYR A 24 6.673 9.669 4.910 1.00 0.00 C ATOM 329 C TYR A 24 5.204 9.660 5.325 1.00 0.00 C ATOM 330 O TYR A 24 4.552 8.616 5.320 1.00 0.00 O ATOM 331 CB TYR A 24 6.868 10.604 3.716 1.00 0.00 C ATOM 332 CG TYR A 24 8.320 10.817 3.347 1.00 0.00 C ATOM 333 CD1 TYR A 24 9.247 11.218 4.299 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.762 10.618 2.044 1.00 0.00 C ATOM 335 CE1 TYR A 24 10.574 11.414 3.965 1.00 0.00 C ATOM 336 CE2 TYR A 24 10.087 10.811 1.703 1.00 0.00 C ATOM 337 CZ TYR A 24 10.989 11.209 2.667 1.00 0.00 C ATOM 338 OH TYR A 24 12.309 11.403 2.330 1.00 0.00 O ATOM 0 H TYR A 24 6.758 7.959 3.701 1.00 0.00 H new ATOM 0 HA TYR A 24 7.269 10.030 5.748 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.339 10.196 2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.413 11.569 3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.926 11.380 5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.058 10.307 1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.282 11.726 4.718 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.415 10.651 0.686 1.00 0.00 H new ATOM 0 HH TYR A 24 12.434 11.215 1.376 1.00 0.00 H new ATOM 348 N ASP A 25 4.693 10.831 5.687 1.00 0.00 N ATOM 349 CA ASP A 25 3.301 10.960 6.106 1.00 0.00 C ATOM 350 C ASP A 25 2.420 11.392 4.938 1.00 0.00 C ATOM 351 O ASP A 25 2.695 12.394 4.277 1.00 0.00 O ATOM 352 CB ASP A 25 3.183 11.970 7.250 1.00 0.00 C ATOM 353 CG ASP A 25 3.662 13.351 6.854 1.00 0.00 C ATOM 354 OD1 ASP A 25 4.867 13.500 6.559 1.00 0.00 O ATOM 355 OD2 ASP A 25 2.832 14.285 6.839 1.00 0.00 O ATOM 0 H ASP A 25 5.220 11.704 5.699 1.00 0.00 H new ATOM 0 HA ASP A 25 2.960 9.985 6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.144 12.028 7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.763 11.618 8.103 1.00 0.00 H new ATOM 360 N TYR A 26 1.362 10.628 4.688 1.00 0.00 N ATOM 361 CA TYR A 26 0.442 10.930 3.597 1.00 0.00 C ATOM 362 C TYR A 26 -0.994 11.016 4.104 1.00 0.00 C ATOM 363 O TYR A 26 -1.447 10.168 4.873 1.00 0.00 O ATOM 364 CB TYR A 26 0.547 9.863 2.506 1.00 0.00 C ATOM 365 CG TYR A 26 -0.365 10.113 1.325 1.00 0.00 C ATOM 366 CD1 TYR A 26 0.066 10.864 0.238 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.655 9.598 1.296 1.00 0.00 C ATOM 368 CE1 TYR A 26 -0.763 11.096 -0.841 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.489 9.825 0.219 1.00 0.00 C ATOM 370 CZ TYR A 26 -2.039 10.574 -0.847 1.00 0.00 C ATOM 371 OH TYR A 26 -2.867 10.802 -1.922 1.00 0.00 O ATOM 0 H TYR A 26 1.120 9.796 5.226 1.00 0.00 H new ATOM 0 HA TYR A 26 0.718 11.898 3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.578 9.815 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.311 8.890 2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.066 11.273 0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.011 9.011 2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.414 11.684 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.489 9.418 0.212 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.626 10.183 -1.888 1.00 0.00 H new ATOM 381 N THR A 27 -1.706 12.050 3.667 1.00 0.00 N ATOM 382 CA THR A 27 -3.092 12.250 4.075 1.00 0.00 C ATOM 383 C THR A 27 -4.034 12.167 2.880 1.00 0.00 C ATOM 384 O THR A 27 -4.021 13.031 2.002 1.00 0.00 O ATOM 385 CB THR A 27 -3.281 13.613 4.768 1.00 0.00 C ATOM 386 OG1 THR A 27 -2.309 13.772 5.807 1.00 0.00 O ATOM 387 CG2 THR A 27 -4.679 13.731 5.353 1.00 0.00 C ATOM 0 H THR A 27 -1.346 12.762 3.031 1.00 0.00 H new ATOM 0 HA THR A 27 -3.332 11.454 4.780 1.00 0.00 H new ATOM 0 HB THR A 27 -3.148 14.398 4.023 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.434 14.641 6.242 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.790 14.701 5.837 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.416 13.637 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.835 12.940 6.086 1.00 0.00 H new ATOM 395 N LYS A 28 -4.854 11.121 2.851 1.00 0.00 N ATOM 396 CA LYS A 28 -5.806 10.923 1.764 1.00 0.00 C ATOM 397 C LYS A 28 -6.564 12.213 1.465 1.00 0.00 C ATOM 398 O LYS A 28 -7.146 12.824 2.361 1.00 0.00 O ATOM 399 CB LYS A 28 -6.793 9.810 2.119 1.00 0.00 C ATOM 400 CG LYS A 28 -7.772 10.192 3.215 1.00 0.00 C ATOM 401 CD LYS A 28 -9.033 10.820 2.642 1.00 0.00 C ATOM 402 CE LYS A 28 -10.092 9.769 2.344 1.00 0.00 C ATOM 403 NZ LYS A 28 -11.460 10.359 2.298 1.00 0.00 N ATOM 0 H LYS A 28 -4.878 10.397 3.569 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.248 10.634 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.352 9.533 1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.235 8.928 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.036 9.307 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.296 10.891 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.431 11.549 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.788 11.361 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.870 9.290 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.057 8.991 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.154 9.612 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.681 10.794 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.501 11.083 1.553 1.00 0.00 H new ATOM 417 N ASP A 29 -6.553 12.620 0.200 1.00 0.00 N ATOM 418 CA ASP A 29 -7.243 13.835 -0.218 1.00 0.00 C ATOM 419 C ASP A 29 -8.679 13.531 -0.632 1.00 0.00 C ATOM 420 O ASP A 29 -9.628 14.094 -0.085 1.00 0.00 O ATOM 421 CB ASP A 29 -6.495 14.500 -1.374 1.00 0.00 C ATOM 422 CG ASP A 29 -6.925 15.937 -1.593 1.00 0.00 C ATOM 423 OD1 ASP A 29 -7.919 16.154 -2.316 1.00 0.00 O ATOM 424 OD2 ASP A 29 -6.267 16.844 -1.043 1.00 0.00 O ATOM 0 H ASP A 29 -6.074 12.126 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.267 14.519 0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.424 14.471 -1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.664 13.930 -2.288 1.00 0.00 H new ATOM 429 N LYS A 30 -8.831 12.637 -1.603 1.00 0.00 N ATOM 430 CA LYS A 30 -10.151 12.256 -2.093 1.00 0.00 C ATOM 431 C LYS A 30 -10.652 11.001 -1.386 1.00 0.00 C ATOM 432 O LYS A 30 -9.988 10.473 -0.495 1.00 0.00 O ATOM 433 CB LYS A 30 -10.109 12.022 -3.604 1.00 0.00 C ATOM 434 CG LYS A 30 -9.607 13.219 -4.392 1.00 0.00 C ATOM 435 CD LYS A 30 -10.631 14.341 -4.414 1.00 0.00 C ATOM 436 CE LYS A 30 -11.589 14.198 -5.587 1.00 0.00 C ATOM 437 NZ LYS A 30 -12.726 13.291 -5.268 1.00 0.00 N ATOM 0 H LYS A 30 -8.056 12.162 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.841 13.072 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.468 11.166 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.109 11.763 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.678 13.582 -3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.378 12.914 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.194 14.340 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.119 15.301 -4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.974 15.180 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.049 13.813 -6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.570 13.594 -5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.480 12.317 -5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.923 13.327 -4.248 1.00 0.00 H new ATOM 451 N GLU A 31 -11.826 10.527 -1.791 1.00 0.00 N ATOM 452 CA GLU A 31 -12.414 9.334 -1.196 1.00 0.00 C ATOM 453 C GLU A 31 -11.758 8.072 -1.746 1.00 0.00 C ATOM 454 O GLU A 31 -11.692 7.047 -1.068 1.00 0.00 O ATOM 455 CB GLU A 31 -13.921 9.295 -1.460 1.00 0.00 C ATOM 456 CG GLU A 31 -14.280 9.304 -2.937 1.00 0.00 C ATOM 457 CD GLU A 31 -15.776 9.395 -3.174 1.00 0.00 C ATOM 458 OE1 GLU A 31 -16.426 10.247 -2.530 1.00 0.00 O ATOM 459 OE2 GLU A 31 -16.295 8.616 -3.999 1.00 0.00 O ATOM 0 H GLU A 31 -12.388 10.951 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.242 9.373 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.339 8.401 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.389 10.152 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.787 10.147 -3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.896 8.398 -3.406 1.00 0.00 H new ATOM 466 N ASP A 32 -11.273 8.155 -2.979 1.00 0.00 N ATOM 467 CA ASP A 32 -10.619 7.019 -3.623 1.00 0.00 C ATOM 468 C ASP A 32 -9.140 6.962 -3.252 1.00 0.00 C ATOM 469 O ASP A 32 -8.330 6.394 -3.982 1.00 0.00 O ATOM 470 CB ASP A 32 -10.773 7.108 -5.142 1.00 0.00 C ATOM 471 CG ASP A 32 -12.174 6.755 -5.603 1.00 0.00 C ATOM 472 OD1 ASP A 32 -12.460 5.550 -5.760 1.00 0.00 O ATOM 473 OD2 ASP A 32 -12.984 7.683 -5.809 1.00 0.00 O ATOM 0 H ASP A 32 -11.319 8.996 -3.554 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.100 6.107 -3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.529 8.118 -5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.057 6.437 -5.617 1.00 0.00 H new ATOM 478 N GLU A 33 -8.798 7.554 -2.112 1.00 0.00 N ATOM 479 CA GLU A 33 -7.417 7.571 -1.645 1.00 0.00 C ATOM 480 C GLU A 33 -7.269 6.775 -0.352 1.00 0.00 C ATOM 481 O GLU A 33 -8.247 6.254 0.184 1.00 0.00 O ATOM 482 CB GLU A 33 -6.946 9.011 -1.429 1.00 0.00 C ATOM 483 CG GLU A 33 -6.315 9.639 -2.659 1.00 0.00 C ATOM 484 CD GLU A 33 -7.343 10.048 -3.696 1.00 0.00 C ATOM 485 OE1 GLU A 33 -8.320 9.296 -3.892 1.00 0.00 O ATOM 486 OE2 GLU A 33 -7.169 11.120 -4.313 1.00 0.00 O ATOM 0 H GLU A 33 -9.458 8.028 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.796 7.105 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.796 9.619 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.224 9.029 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.737 10.514 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.615 8.932 -3.105 1.00 0.00 H new ATOM 493 N LEU A 34 -6.040 6.686 0.143 1.00 0.00 N ATOM 494 CA LEU A 34 -5.763 5.953 1.373 1.00 0.00 C ATOM 495 C LEU A 34 -4.894 6.780 2.316 1.00 0.00 C ATOM 496 O LEU A 34 -3.900 7.375 1.898 1.00 0.00 O ATOM 497 CB LEU A 34 -5.069 4.626 1.056 1.00 0.00 C ATOM 498 CG LEU A 34 -5.293 3.495 2.059 1.00 0.00 C ATOM 499 CD1 LEU A 34 -4.695 2.197 1.540 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.698 3.857 3.412 1.00 0.00 C ATOM 0 H LEU A 34 -5.220 7.112 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.713 5.750 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.406 4.288 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.997 4.809 0.979 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.366 3.352 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.864 1.402 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.168 1.931 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.624 2.326 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.867 3.040 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.627 4.028 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.174 4.763 3.788 1.00 0.00 H new ATOM 512 N SER A 35 -5.274 6.811 3.589 1.00 0.00 N ATOM 513 CA SER A 35 -4.531 7.567 4.590 1.00 0.00 C ATOM 514 C SER A 35 -3.580 6.656 5.362 1.00 0.00 C ATOM 515 O SER A 35 -3.987 5.623 5.893 1.00 0.00 O ATOM 516 CB SER A 35 -5.494 8.256 5.559 1.00 0.00 C ATOM 517 OG SER A 35 -6.281 7.307 6.257 1.00 0.00 O ATOM 0 H SER A 35 -6.092 6.321 3.952 1.00 0.00 H new ATOM 0 HA SER A 35 -3.942 8.326 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.930 8.859 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.143 8.937 5.009 1.00 0.00 H new ATOM 0 HG SER A 35 -5.826 6.439 6.254 1.00 0.00 H new ATOM 523 N PHE A 36 -2.313 7.049 5.420 1.00 0.00 N ATOM 524 CA PHE A 36 -1.303 6.269 6.126 1.00 0.00 C ATOM 525 C PHE A 36 -0.202 7.172 6.673 1.00 0.00 C ATOM 526 O PHE A 36 -0.144 8.359 6.354 1.00 0.00 O ATOM 527 CB PHE A 36 -0.696 5.217 5.194 1.00 0.00 C ATOM 528 CG PHE A 36 -0.302 5.762 3.851 1.00 0.00 C ATOM 529 CD1 PHE A 36 -1.266 6.060 2.900 1.00 0.00 C ATOM 530 CD2 PHE A 36 1.031 5.975 3.539 1.00 0.00 C ATOM 531 CE1 PHE A 36 -0.907 6.562 1.663 1.00 0.00 C ATOM 532 CE2 PHE A 36 1.395 6.477 2.303 1.00 0.00 C ATOM 533 CZ PHE A 36 0.425 6.768 1.364 1.00 0.00 C ATOM 0 H PHE A 36 -1.960 7.903 4.987 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.788 5.768 6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.182 4.782 5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.415 4.410 5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.309 5.898 3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.794 5.747 4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.667 6.793 0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.437 6.641 2.072 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.708 7.156 0.397 1.00 0.00 H new ATOM 543 N GLN A 37 0.668 6.601 7.502 1.00 0.00 N ATOM 544 CA GLN A 37 1.764 7.355 8.096 1.00 0.00 C ATOM 545 C GLN A 37 3.047 6.529 8.111 1.00 0.00 C ATOM 546 O GLN A 37 3.010 5.309 7.974 1.00 0.00 O ATOM 547 CB GLN A 37 1.404 7.786 9.519 1.00 0.00 C ATOM 548 CG GLN A 37 1.285 6.627 10.493 1.00 0.00 C ATOM 549 CD GLN A 37 0.992 7.082 11.909 1.00 0.00 C ATOM 550 OE1 GLN A 37 1.364 8.186 12.309 1.00 0.00 O ATOM 551 NE2 GLN A 37 0.321 6.233 12.679 1.00 0.00 N ATOM 0 H GLN A 37 0.634 5.619 7.776 1.00 0.00 H new ATOM 0 HA GLN A 37 1.932 8.244 7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.163 8.479 9.883 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.460 8.330 9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.492 5.957 10.159 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.212 6.053 10.484 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.031 5.328 12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.095 6.486 13.641 1.00 0.00 H new ATOM 560 N GLU A 38 4.179 7.206 8.280 1.00 0.00 N ATOM 561 CA GLU A 38 5.472 6.534 8.312 1.00 0.00 C ATOM 562 C GLU A 38 5.407 5.269 9.163 1.00 0.00 C ATOM 563 O GLU A 38 5.295 5.335 10.387 1.00 0.00 O ATOM 564 CB GLU A 38 6.548 7.474 8.861 1.00 0.00 C ATOM 565 CG GLU A 38 7.865 6.782 9.165 1.00 0.00 C ATOM 566 CD GLU A 38 8.874 7.707 9.816 1.00 0.00 C ATOM 567 OE1 GLU A 38 8.482 8.473 10.720 1.00 0.00 O ATOM 568 OE2 GLU A 38 10.058 7.665 9.420 1.00 0.00 O ATOM 0 H GLU A 38 4.226 8.218 8.397 1.00 0.00 H new ATOM 0 HA GLU A 38 5.731 6.253 7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.725 8.271 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.177 7.945 9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.681 5.932 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.285 6.386 8.240 1.00 0.00 H new ATOM 575 N GLY A 39 5.476 4.116 8.504 1.00 0.00 N ATOM 576 CA GLY A 39 5.422 2.851 9.215 1.00 0.00 C ATOM 577 C GLY A 39 4.098 2.139 9.031 1.00 0.00 C ATOM 578 O GLY A 39 3.523 1.624 9.991 1.00 0.00 O ATOM 0 H GLY A 39 5.568 4.035 7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.229 2.207 8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.592 3.027 10.277 1.00 0.00 H new ATOM 582 N ALA A 40 3.609 2.111 7.795 1.00 0.00 N ATOM 583 CA ALA A 40 2.343 1.455 7.490 1.00 0.00 C ATOM 584 C ALA A 40 2.531 0.354 6.454 1.00 0.00 C ATOM 585 O ALA A 40 3.066 0.592 5.371 1.00 0.00 O ATOM 586 CB ALA A 40 1.327 2.476 6.998 1.00 0.00 C ATOM 0 H ALA A 40 4.070 2.535 6.990 1.00 0.00 H new ATOM 0 HA ALA A 40 1.969 0.996 8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.386 1.974 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.162 3.227 7.771 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.704 2.959 6.097 1.00 0.00 H new ATOM 592 N ILE A 41 2.089 -0.852 6.793 1.00 0.00 N ATOM 593 CA ILE A 41 2.210 -1.993 5.892 1.00 0.00 C ATOM 594 C ILE A 41 1.073 -2.010 4.875 1.00 0.00 C ATOM 595 O ILE A 41 -0.040 -2.438 5.179 1.00 0.00 O ATOM 596 CB ILE A 41 2.213 -3.324 6.664 1.00 0.00 C ATOM 597 CG1 ILE A 41 3.327 -3.329 7.712 1.00 0.00 C ATOM 598 CG2 ILE A 41 2.376 -4.493 5.704 1.00 0.00 C ATOM 599 CD1 ILE A 41 4.683 -2.951 7.153 1.00 0.00 C ATOM 0 H ILE A 41 1.643 -1.065 7.685 1.00 0.00 H new ATOM 0 HA ILE A 41 3.161 -1.885 5.371 1.00 0.00 H new ATOM 0 HB ILE A 41 1.257 -3.431 7.177 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.066 -2.636 8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.391 -4.321 8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.376 -5.427 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.550 -4.497 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.318 -4.393 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.425 -2.975 7.951 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.965 -3.659 6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.636 -1.947 6.732 1.00 0.00 H new ATOM 611 N ILE A 42 1.362 -1.542 3.664 1.00 0.00 N ATOM 612 CA ILE A 42 0.366 -1.508 2.601 1.00 0.00 C ATOM 613 C ILE A 42 0.632 -2.593 1.563 1.00 0.00 C ATOM 614 O ILE A 42 1.754 -2.746 1.082 1.00 0.00 O ATOM 615 CB ILE A 42 0.340 -0.138 1.898 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.094 0.978 2.918 1.00 0.00 C ATOM 617 CG2 ILE A 42 -0.728 -0.118 0.816 1.00 0.00 C ATOM 618 CD1 ILE A 42 0.564 2.337 2.450 1.00 0.00 C ATOM 0 H ILE A 42 2.278 -1.182 3.396 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.602 -1.686 3.070 1.00 0.00 H new ATOM 0 HB ILE A 42 1.309 0.031 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.972 1.028 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.602 0.727 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.734 0.857 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.513 -0.891 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.704 -0.305 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.358 3.079 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.636 2.304 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.037 2.609 1.535 1.00 0.00 H new ATOM 630 N TYR A 43 -0.410 -3.344 1.222 1.00 0.00 N ATOM 631 CA TYR A 43 -0.290 -4.417 0.240 1.00 0.00 C ATOM 632 C TYR A 43 -0.786 -3.961 -1.129 1.00 0.00 C ATOM 633 O TYR A 43 -1.990 -3.860 -1.364 1.00 0.00 O ATOM 634 CB TYR A 43 -1.078 -5.645 0.698 1.00 0.00 C ATOM 635 CG TYR A 43 -0.671 -6.151 2.064 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.406 -7.017 2.213 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.364 -5.765 3.204 1.00 0.00 C ATOM 638 CE1 TYR A 43 0.781 -7.482 3.458 1.00 0.00 C ATOM 639 CE2 TYR A 43 -0.995 -6.225 4.453 1.00 0.00 C ATOM 640 CZ TYR A 43 0.077 -7.083 4.575 1.00 0.00 C ATOM 641 OH TYR A 43 0.446 -7.545 5.818 1.00 0.00 O ATOM 0 H TYR A 43 -1.346 -3.230 1.610 1.00 0.00 H new ATOM 0 HA TYR A 43 0.764 -4.681 0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.140 -5.400 0.712 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.945 -6.444 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.959 -7.332 1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.205 -5.094 3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.621 -8.154 3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.544 -5.914 5.330 1.00 0.00 H new ATOM 0 HH TYR A 43 0.224 -6.873 6.496 1.00 0.00 H new ATOM 651 N VAL A 44 0.152 -3.686 -2.029 1.00 0.00 N ATOM 652 CA VAL A 44 -0.188 -3.244 -3.376 1.00 0.00 C ATOM 653 C VAL A 44 -0.866 -4.357 -4.166 1.00 0.00 C ATOM 654 O VAL A 44 -0.323 -5.452 -4.306 1.00 0.00 O ATOM 655 CB VAL A 44 1.062 -2.772 -4.145 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.711 -2.454 -5.590 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.684 -1.565 -3.460 1.00 0.00 C ATOM 0 H VAL A 44 1.153 -3.761 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.878 -2.407 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 44 1.795 -3.579 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.606 -2.122 -6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.315 -3.347 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.040 -1.664 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.565 -1.245 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.960 -0.751 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.974 -1.833 -2.444 1.00 0.00 H new ATOM 667 N ILE A 45 -2.057 -4.067 -4.680 1.00 0.00 N ATOM 668 CA ILE A 45 -2.809 -5.044 -5.458 1.00 0.00 C ATOM 669 C ILE A 45 -3.174 -4.490 -6.831 1.00 0.00 C ATOM 670 O ILE A 45 -3.376 -5.245 -7.784 1.00 0.00 O ATOM 671 CB ILE A 45 -4.100 -5.470 -4.731 1.00 0.00 C ATOM 672 CG1 ILE A 45 -4.884 -4.238 -4.275 1.00 0.00 C ATOM 673 CG2 ILE A 45 -3.768 -6.363 -3.545 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.356 -4.508 -4.054 1.00 0.00 C ATOM 0 H ILE A 45 -2.521 -3.165 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.164 -5.914 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.722 -6.036 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.449 -3.862 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.775 -3.451 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.689 -6.656 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.247 -7.254 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.130 -5.820 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.850 -3.591 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.806 -4.855 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.474 -5.273 -3.286 1.00 0.00 H new ATOM 686 N LYS A 46 -3.255 -3.167 -6.927 1.00 0.00 N ATOM 687 CA LYS A 46 -3.591 -2.510 -8.185 1.00 0.00 C ATOM 688 C LYS A 46 -2.519 -1.498 -8.574 1.00 0.00 C ATOM 689 O LYS A 46 -1.827 -0.951 -7.714 1.00 0.00 O ATOM 690 CB LYS A 46 -4.949 -1.814 -8.074 1.00 0.00 C ATOM 691 CG LYS A 46 -5.697 -1.723 -9.392 1.00 0.00 C ATOM 692 CD LYS A 46 -6.380 -3.038 -9.736 1.00 0.00 C ATOM 693 CE LYS A 46 -7.728 -3.162 -9.043 1.00 0.00 C ATOM 694 NZ LYS A 46 -7.599 -3.756 -7.683 1.00 0.00 N ATOM 0 H LYS A 46 -3.092 -2.528 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.643 -3.273 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.565 -2.351 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.801 -0.809 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.441 -0.929 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.003 -1.453 -10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.516 -3.107 -10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.740 -3.870 -9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.190 -2.177 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.392 -3.780 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.366 -4.442 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.681 -4.238 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.660 -3.003 -6.968 1.00 0.00 H new ATOM 708 N LYS A 47 -2.387 -1.250 -9.873 1.00 0.00 N ATOM 709 CA LYS A 47 -1.401 -0.302 -10.375 1.00 0.00 C ATOM 710 C LYS A 47 -2.050 0.711 -11.313 1.00 0.00 C ATOM 711 O LYS A 47 -3.043 0.412 -11.975 1.00 0.00 O ATOM 712 CB LYS A 47 -0.276 -1.040 -11.104 1.00 0.00 C ATOM 713 CG LYS A 47 0.771 -1.625 -10.173 1.00 0.00 C ATOM 714 CD LYS A 47 2.139 -1.675 -10.834 1.00 0.00 C ATOM 715 CE LYS A 47 2.308 -2.935 -11.670 1.00 0.00 C ATOM 716 NZ LYS A 47 1.505 -2.880 -12.923 1.00 0.00 N ATOM 0 H LYS A 47 -2.952 -1.693 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.982 0.233 -9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.707 -1.843 -11.702 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.209 -0.352 -11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.827 -1.026 -9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.473 -2.630 -9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.271 -0.797 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.915 -1.637 -10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.361 -3.067 -11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.007 -3.803 -11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.973 -3.445 -13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.555 -3.263 -12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.426 -1.893 -13.242 1.00 0.00 H new ATOM 730 N ASN A 48 -1.481 1.911 -11.366 1.00 0.00 N ATOM 731 CA ASN A 48 -2.004 2.968 -12.225 1.00 0.00 C ATOM 732 C ASN A 48 -0.909 3.524 -13.131 1.00 0.00 C ATOM 733 O ASN A 48 0.212 3.019 -13.148 1.00 0.00 O ATOM 734 CB ASN A 48 -2.602 4.093 -11.378 1.00 0.00 C ATOM 735 CG ASN A 48 -3.653 3.589 -10.408 1.00 0.00 C ATOM 736 OD1 ASN A 48 -3.758 2.389 -10.157 1.00 0.00 O ATOM 737 ND2 ASN A 48 -4.438 4.508 -9.857 1.00 0.00 N ATOM 0 H ASN A 48 -0.658 2.176 -10.825 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.786 2.540 -12.852 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.806 4.588 -10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.046 4.842 -12.034 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.164 4.229 -9.196 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.315 5.492 -10.094 1.00 0.00 H new ATOM 744 N ASP A 49 -1.244 4.568 -13.881 1.00 0.00 N ATOM 745 CA ASP A 49 -0.290 5.196 -14.788 1.00 0.00 C ATOM 746 C ASP A 49 0.403 6.378 -14.116 1.00 0.00 C ATOM 747 O ASP A 49 1.560 6.677 -14.405 1.00 0.00 O ATOM 748 CB ASP A 49 -0.997 5.661 -16.062 1.00 0.00 C ATOM 749 CG ASP A 49 -0.050 5.770 -17.242 1.00 0.00 C ATOM 750 OD1 ASP A 49 0.351 4.715 -17.779 1.00 0.00 O ATOM 751 OD2 ASP A 49 0.291 6.908 -17.628 1.00 0.00 O ATOM 0 H ASP A 49 -2.169 4.997 -13.879 1.00 0.00 H new ATOM 0 HA ASP A 49 0.466 4.456 -15.050 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.798 4.963 -16.305 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.463 6.630 -15.883 1.00 0.00 H new ATOM 756 N ASP A 50 -0.315 7.045 -13.218 1.00 0.00 N ATOM 757 CA ASP A 50 0.231 8.193 -12.505 1.00 0.00 C ATOM 758 C ASP A 50 0.798 7.774 -11.151 1.00 0.00 C ATOM 759 O ASP A 50 0.645 8.482 -10.157 1.00 0.00 O ATOM 760 CB ASP A 50 -0.848 9.261 -12.311 1.00 0.00 C ATOM 761 CG ASP A 50 -0.960 10.193 -13.502 1.00 0.00 C ATOM 762 OD1 ASP A 50 -0.183 11.169 -13.567 1.00 0.00 O ATOM 763 OD2 ASP A 50 -1.823 9.945 -14.369 1.00 0.00 O ATOM 0 H ASP A 50 -1.275 6.810 -12.967 1.00 0.00 H new ATOM 0 HA ASP A 50 1.040 8.609 -13.105 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.809 8.776 -12.141 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.623 9.843 -11.417 1.00 0.00 H new ATOM 768 N GLY A 51 1.450 6.616 -11.122 1.00 0.00 N ATOM 769 CA GLY A 51 2.027 6.121 -9.886 1.00 0.00 C ATOM 770 C GLY A 51 1.024 6.084 -8.751 1.00 0.00 C ATOM 771 O GLY A 51 1.186 6.780 -7.748 1.00 0.00 O ATOM 0 H GLY A 51 1.589 6.012 -11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.423 5.119 -10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.868 6.754 -9.603 1.00 0.00 H new ATOM 775 N TRP A 52 -0.015 5.273 -8.908 1.00 0.00 N ATOM 776 CA TRP A 52 -1.051 5.150 -7.888 1.00 0.00 C ATOM 777 C TRP A 52 -1.401 3.687 -7.642 1.00 0.00 C ATOM 778 O TRP A 52 -2.198 3.098 -8.373 1.00 0.00 O ATOM 779 CB TRP A 52 -2.302 5.923 -8.307 1.00 0.00 C ATOM 780 CG TRP A 52 -2.117 7.410 -8.284 1.00 0.00 C ATOM 781 CD1 TRP A 52 -1.738 8.206 -9.329 1.00 0.00 C ATOM 782 CD2 TRP A 52 -2.300 8.280 -7.161 1.00 0.00 C ATOM 783 NE1 TRP A 52 -1.676 9.517 -8.923 1.00 0.00 N ATOM 784 CE2 TRP A 52 -2.017 9.589 -7.598 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.678 8.080 -5.832 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -2.098 10.690 -6.749 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -2.760 9.174 -4.990 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.471 10.465 -5.452 1.00 0.00 C ATOM 0 H TRP A 52 -0.163 4.690 -9.732 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.665 5.573 -6.960 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.591 5.616 -9.312 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.125 5.656 -7.643 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.519 7.856 -10.327 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.418 10.308 -9.512 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.902 7.088 -5.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.874 11.686 -7.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.051 9.031 -3.960 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.544 11.299 -4.770 1.00 0.00 H new ATOM 799 N TYR A 53 -0.800 3.106 -6.609 1.00 0.00 N ATOM 800 CA TYR A 53 -1.049 1.710 -6.269 1.00 0.00 C ATOM 801 C TYR A 53 -2.189 1.589 -5.263 1.00 0.00 C ATOM 802 O TYR A 53 -2.274 2.362 -4.310 1.00 0.00 O ATOM 803 CB TYR A 53 0.218 1.069 -5.698 1.00 0.00 C ATOM 804 CG TYR A 53 1.463 1.371 -6.501 1.00 0.00 C ATOM 805 CD1 TYR A 53 1.499 1.155 -7.874 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.605 1.875 -5.888 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.635 1.429 -8.610 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.744 2.153 -6.618 1.00 0.00 C ATOM 809 CZ TYR A 53 3.754 1.927 -7.977 1.00 0.00 C ATOM 810 OH TYR A 53 4.887 2.204 -8.710 1.00 0.00 O ATOM 0 H TYR A 53 -0.138 3.579 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.336 1.186 -7.181 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.362 1.417 -4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.079 -0.011 -5.651 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.624 0.766 -8.373 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.601 2.052 -4.823 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.647 1.254 -9.676 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.622 2.545 -6.126 1.00 0.00 H new ATOM 0 HH TYR A 53 5.585 2.549 -8.115 1.00 0.00 H new ATOM 820 N GLU A 54 -3.064 0.611 -5.485 1.00 0.00 N ATOM 821 CA GLU A 54 -4.200 0.389 -4.599 1.00 0.00 C ATOM 822 C GLU A 54 -3.887 -0.702 -3.577 1.00 0.00 C ATOM 823 O GLU A 54 -3.753 -1.873 -3.925 1.00 0.00 O ATOM 824 CB GLU A 54 -5.439 0.004 -5.409 1.00 0.00 C ATOM 825 CG GLU A 54 -6.747 0.249 -4.676 1.00 0.00 C ATOM 826 CD GLU A 54 -7.952 -0.254 -5.446 1.00 0.00 C ATOM 827 OE1 GLU A 54 -7.831 -1.299 -6.119 1.00 0.00 O ATOM 828 OE2 GLU A 54 -9.015 0.398 -5.375 1.00 0.00 O ATOM 0 H GLU A 54 -3.007 -0.038 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.399 1.318 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.443 0.569 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.374 -1.051 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.711 -0.242 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.860 1.317 -4.490 1.00 0.00 H new ATOM 835 N GLY A 55 -3.774 -0.304 -2.313 1.00 0.00 N ATOM 836 CA GLY A 55 -3.477 -1.258 -1.260 1.00 0.00 C ATOM 837 C GLY A 55 -4.505 -1.228 -0.146 1.00 0.00 C ATOM 838 O GLY A 55 -5.373 -0.357 -0.116 1.00 0.00 O ATOM 0 H GLY A 55 -3.883 0.661 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.434 -2.261 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.491 -1.044 -0.847 1.00 0.00 H new ATOM 842 N VAL A 56 -4.406 -2.183 0.772 1.00 0.00 N ATOM 843 CA VAL A 56 -5.334 -2.264 1.895 1.00 0.00 C ATOM 844 C VAL A 56 -4.640 -1.919 3.207 1.00 0.00 C ATOM 845 O VAL A 56 -3.536 -2.390 3.481 1.00 0.00 O ATOM 846 CB VAL A 56 -5.956 -3.669 2.009 1.00 0.00 C ATOM 847 CG1 VAL A 56 -6.881 -3.747 3.213 1.00 0.00 C ATOM 848 CG2 VAL A 56 -6.696 -4.029 0.731 1.00 0.00 C ATOM 0 H VAL A 56 -3.693 -2.912 0.761 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.125 -1.539 1.705 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.154 -4.393 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.311 -4.747 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.315 -3.536 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.681 -3.014 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.129 -5.025 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.490 -3.304 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.000 -4.017 -0.108 1.00 0.00 H new ATOM 858 N MET A 57 -5.295 -1.092 4.017 1.00 0.00 N ATOM 859 CA MET A 57 -4.742 -0.684 5.303 1.00 0.00 C ATOM 860 C MET A 57 -5.832 -0.624 6.369 1.00 0.00 C ATOM 861 O MET A 57 -6.712 0.236 6.322 1.00 0.00 O ATOM 862 CB MET A 57 -4.057 0.677 5.178 1.00 0.00 C ATOM 863 CG MET A 57 -2.909 0.872 6.157 1.00 0.00 C ATOM 864 SD MET A 57 -3.465 1.437 7.776 1.00 0.00 S ATOM 865 CE MET A 57 -3.243 3.206 7.611 1.00 0.00 C ATOM 0 H MET A 57 -6.209 -0.692 3.805 1.00 0.00 H new ATOM 0 HA MET A 57 -4.004 -1.427 5.606 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.681 0.793 4.162 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.796 1.462 5.336 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.370 -0.068 6.270 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.205 1.596 5.746 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.501 3.548 8.333 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.902 3.437 6.602 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.191 3.711 7.798 1.00 0.00 H new ATOM 875 N ASN A 58 -5.767 -1.541 7.328 1.00 0.00 N ATOM 876 CA ASN A 58 -6.749 -1.591 8.406 1.00 0.00 C ATOM 877 C ASN A 58 -8.156 -1.786 7.850 1.00 0.00 C ATOM 878 O ASN A 58 -9.115 -1.187 8.334 1.00 0.00 O ATOM 879 CB ASN A 58 -6.690 -0.309 9.238 1.00 0.00 C ATOM 880 CG ASN A 58 -7.696 -0.310 10.373 1.00 0.00 C ATOM 881 OD1 ASN A 58 -7.551 -1.050 11.345 1.00 0.00 O ATOM 882 ND2 ASN A 58 -8.723 0.525 10.254 1.00 0.00 N ATOM 0 H ASN A 58 -5.045 -2.260 7.381 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.508 -2.441 9.044 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.686 -0.190 9.646 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.876 0.549 8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.431 0.570 10.987 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.803 1.121 9.430 1.00 0.00 H new ATOM 889 N GLY A 59 -8.272 -2.630 6.828 1.00 0.00 N ATOM 890 CA GLY A 59 -9.565 -2.890 6.224 1.00 0.00 C ATOM 891 C GLY A 59 -9.932 -1.858 5.175 1.00 0.00 C ATOM 892 O GLY A 59 -10.517 -2.191 4.144 1.00 0.00 O ATOM 0 H GLY A 59 -7.493 -3.138 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.557 -3.880 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.330 -2.902 7.001 1.00 0.00 H new ATOM 896 N VAL A 60 -9.590 -0.601 5.438 1.00 0.00 N ATOM 897 CA VAL A 60 -9.889 0.482 4.509 1.00 0.00 C ATOM 898 C VAL A 60 -8.940 0.459 3.316 1.00 0.00 C ATOM 899 O VAL A 60 -7.719 0.436 3.477 1.00 0.00 O ATOM 900 CB VAL A 60 -9.793 1.856 5.201 1.00 0.00 C ATOM 901 CG1 VAL A 60 -10.070 2.974 4.207 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.753 1.927 6.379 1.00 0.00 C ATOM 0 H VAL A 60 -9.106 -0.308 6.286 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.910 0.329 4.160 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.779 1.983 5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.998 3.937 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.339 2.933 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.072 2.855 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.672 2.904 6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.774 1.779 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.502 1.149 7.100 1.00 0.00 H new ATOM 912 N THR A 61 -9.510 0.466 2.115 1.00 0.00 N ATOM 913 CA THR A 61 -8.716 0.446 0.893 1.00 0.00 C ATOM 914 C THR A 61 -8.727 1.808 0.207 1.00 0.00 C ATOM 915 O THR A 61 -9.663 2.588 0.370 1.00 0.00 O ATOM 916 CB THR A 61 -9.234 -0.616 -0.096 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.299 -1.894 0.547 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.333 -0.703 -1.319 1.00 0.00 C ATOM 0 H THR A 61 -10.518 0.485 1.963 1.00 0.00 H new ATOM 0 HA THR A 61 -7.696 0.196 1.184 1.00 0.00 H new ATOM 0 HB THR A 61 -10.232 -0.322 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.631 -2.563 -0.088 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.719 -1.459 -2.002 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.309 0.263 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.324 -0.975 -1.009 1.00 0.00 H new ATOM 926 N GLY A 62 -7.676 2.087 -0.561 1.00 0.00 N ATOM 927 CA GLY A 62 -7.584 3.356 -1.258 1.00 0.00 C ATOM 928 C GLY A 62 -6.349 3.448 -2.131 1.00 0.00 C ATOM 929 O GLY A 62 -5.463 2.595 -2.059 1.00 0.00 O ATOM 0 H GLY A 62 -6.888 1.457 -0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.472 3.494 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.572 4.167 -0.530 1.00 0.00 H new ATOM 933 N LEU A 63 -6.289 4.485 -2.959 1.00 0.00 N ATOM 934 CA LEU A 63 -5.153 4.686 -3.853 1.00 0.00 C ATOM 935 C LEU A 63 -4.174 5.701 -3.270 1.00 0.00 C ATOM 936 O LEU A 63 -4.580 6.698 -2.674 1.00 0.00 O ATOM 937 CB LEU A 63 -5.634 5.156 -5.226 1.00 0.00 C ATOM 938 CG LEU A 63 -6.114 4.060 -6.179 1.00 0.00 C ATOM 939 CD1 LEU A 63 -7.047 4.641 -7.232 1.00 0.00 C ATOM 940 CD2 LEU A 63 -4.930 3.368 -6.837 1.00 0.00 C ATOM 0 H LEU A 63 -7.013 5.200 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.637 3.732 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.448 5.866 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.821 5.699 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.666 3.319 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.379 3.848 -7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.912 5.090 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.519 5.403 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.291 2.592 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.350 4.098 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.299 2.918 -6.070 1.00 0.00 H new ATOM 952 N PHE A 64 -2.882 5.441 -3.448 1.00 0.00 N ATOM 953 CA PHE A 64 -1.846 6.333 -2.941 1.00 0.00 C ATOM 954 C PHE A 64 -0.712 6.477 -3.951 1.00 0.00 C ATOM 955 O PHE A 64 -0.470 5.602 -4.782 1.00 0.00 O ATOM 956 CB PHE A 64 -1.298 5.808 -1.613 1.00 0.00 C ATOM 957 CG PHE A 64 -0.926 4.353 -1.650 1.00 0.00 C ATOM 958 CD1 PHE A 64 -1.881 3.375 -1.428 1.00 0.00 C ATOM 959 CD2 PHE A 64 0.379 3.964 -1.910 1.00 0.00 C ATOM 960 CE1 PHE A 64 -1.542 2.035 -1.461 1.00 0.00 C ATOM 961 CE2 PHE A 64 0.723 2.626 -1.944 1.00 0.00 C ATOM 962 CZ PHE A 64 -0.238 1.660 -1.720 1.00 0.00 C ATOM 0 H PHE A 64 -2.528 4.620 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.292 7.314 -2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.421 6.392 -1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.044 5.964 -0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.902 3.662 -1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.135 4.715 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.296 1.282 -1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.744 2.336 -2.146 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.029 0.614 -1.747 1.00 0.00 H new ATOM 972 N PRO A 65 0.001 7.612 -3.879 1.00 0.00 N ATOM 973 CA PRO A 65 1.122 7.899 -4.780 1.00 0.00 C ATOM 974 C PRO A 65 2.329 7.008 -4.506 1.00 0.00 C ATOM 975 O PRO A 65 2.653 6.720 -3.355 1.00 0.00 O ATOM 976 CB PRO A 65 1.457 9.361 -4.473 1.00 0.00 C ATOM 977 CG PRO A 65 0.982 9.574 -3.076 1.00 0.00 C ATOM 978 CD PRO A 65 -0.231 8.700 -2.914 1.00 0.00 C ATOM 0 HA PRO A 65 0.864 7.715 -5.823 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.527 9.549 -4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.958 10.036 -5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.755 9.306 -2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.734 10.621 -2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.321 8.322 -1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.150 9.243 -3.134 1.00 0.00 H new ATOM 986 N GLY A 66 2.991 6.573 -5.574 1.00 0.00 N ATOM 987 CA GLY A 66 4.155 5.719 -5.429 1.00 0.00 C ATOM 988 C GLY A 66 5.410 6.501 -5.094 1.00 0.00 C ATOM 989 O GLY A 66 6.484 6.218 -5.622 1.00 0.00 O ATOM 0 H GLY A 66 2.742 6.797 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.968 4.985 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.312 5.164 -6.354 1.00 0.00 H new ATOM 993 N ASN A 67 5.274 7.487 -4.215 1.00 0.00 N ATOM 994 CA ASN A 67 6.405 8.315 -3.812 1.00 0.00 C ATOM 995 C ASN A 67 6.551 8.335 -2.294 1.00 0.00 C ATOM 996 O ASN A 67 7.656 8.226 -1.764 1.00 0.00 O ATOM 997 CB ASN A 67 6.234 9.741 -4.339 1.00 0.00 C ATOM 998 CG ASN A 67 6.557 9.855 -5.817 1.00 0.00 C ATOM 999 OD1 ASN A 67 6.582 8.856 -6.537 1.00 0.00 O ATOM 1000 ND2 ASN A 67 6.806 11.076 -6.276 1.00 0.00 N ATOM 0 H ASN A 67 4.391 7.733 -3.767 1.00 0.00 H new ATOM 0 HA ASN A 67 7.310 7.883 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.208 10.068 -4.168 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.881 10.413 -3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.029 11.215 -7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.774 11.875 -5.643 1.00 0.00 H new ATOM 1007 N TYR A 68 5.427 8.477 -1.600 1.00 0.00 N ATOM 1008 CA TYR A 68 5.429 8.513 -0.142 1.00 0.00 C ATOM 1009 C TYR A 68 5.790 7.149 0.437 1.00 0.00 C ATOM 1010 O TYR A 68 6.265 7.048 1.569 1.00 0.00 O ATOM 1011 CB TYR A 68 4.060 8.956 0.380 1.00 0.00 C ATOM 1012 CG TYR A 68 3.820 10.444 0.263 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.636 11.041 -0.977 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.776 11.252 1.392 1.00 0.00 C ATOM 1015 CE1 TYR A 68 3.417 12.401 -1.090 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.555 12.611 1.289 1.00 0.00 C ATOM 1017 CZ TYR A 68 3.377 13.181 0.046 1.00 0.00 C ATOM 1018 OH TYR A 68 3.157 14.536 -0.060 1.00 0.00 O ATOM 0 H TYR A 68 4.503 8.569 -2.023 1.00 0.00 H new ATOM 0 HA TYR A 68 6.183 9.233 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.282 8.427 -0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.967 8.663 1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.664 10.432 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.917 10.810 2.367 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.278 12.850 -2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.522 13.224 2.177 1.00 0.00 H new ATOM 0 HH TYR A 68 3.157 14.938 0.834 1.00 0.00 H new ATOM 1028 N VAL A 69 5.563 6.102 -0.348 1.00 0.00 N ATOM 1029 CA VAL A 69 5.866 4.742 0.084 1.00 0.00 C ATOM 1030 C VAL A 69 6.992 4.139 -0.747 1.00 0.00 C ATOM 1031 O VAL A 69 7.149 4.462 -1.924 1.00 0.00 O ATOM 1032 CB VAL A 69 4.626 3.833 -0.015 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.500 4.368 0.857 1.00 0.00 C ATOM 1034 CG2 VAL A 69 4.175 3.704 -1.462 1.00 0.00 C ATOM 0 H VAL A 69 5.170 6.168 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 69 6.181 4.803 1.126 1.00 0.00 H new ATOM 0 HB VAL A 69 4.894 2.841 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.633 3.713 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.830 4.404 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.230 5.371 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.298 3.059 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.924 4.690 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.980 3.271 -2.057 1.00 0.00 H new ATOM 1044 N GLU A 70 7.775 3.263 -0.126 1.00 0.00 N ATOM 1045 CA GLU A 70 8.887 2.615 -0.809 1.00 0.00 C ATOM 1046 C GLU A 70 8.585 1.141 -1.068 1.00 0.00 C ATOM 1047 O GLU A 70 7.777 0.529 -0.368 1.00 0.00 O ATOM 1048 CB GLU A 70 10.169 2.745 0.018 1.00 0.00 C ATOM 1049 CG GLU A 70 11.440 2.655 -0.810 1.00 0.00 C ATOM 1050 CD GLU A 70 11.854 1.224 -1.091 1.00 0.00 C ATOM 1051 OE1 GLU A 70 11.740 0.381 -0.175 1.00 0.00 O ATOM 1052 OE2 GLU A 70 12.290 0.944 -2.226 1.00 0.00 O ATOM 0 H GLU A 70 7.659 2.986 0.849 1.00 0.00 H new ATOM 0 HA GLU A 70 9.028 3.113 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.156 3.699 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.183 1.962 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.291 3.178 -1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.247 3.166 -0.286 1.00 0.00 H new ATOM 1059 N SER A 71 9.239 0.576 -2.079 1.00 0.00 N ATOM 1060 CA SER A 71 9.035 -0.823 -2.434 1.00 0.00 C ATOM 1061 C SER A 71 10.151 -1.695 -1.864 1.00 0.00 C ATOM 1062 O SER A 71 11.248 -1.758 -2.418 1.00 0.00 O ATOM 1063 CB SER A 71 8.975 -0.981 -3.954 1.00 0.00 C ATOM 1064 OG SER A 71 10.267 -0.898 -4.527 1.00 0.00 O ATOM 0 H SER A 71 9.914 1.066 -2.666 1.00 0.00 H new ATOM 0 HA SER A 71 8.087 -1.148 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.523 -1.941 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.335 -0.207 -4.378 1.00 0.00 H new ATOM 0 HG SER A 71 10.856 -1.556 -4.102 1.00 0.00 H new ATOM 1070 N ILE A 72 9.860 -2.365 -0.755 1.00 0.00 N ATOM 1071 CA ILE A 72 10.837 -3.234 -0.109 1.00 0.00 C ATOM 1072 C ILE A 72 10.918 -4.585 -0.810 1.00 0.00 C ATOM 1073 O ILE A 72 11.967 -5.229 -0.821 1.00 0.00 O ATOM 1074 CB ILE A 72 10.496 -3.458 1.376 1.00 0.00 C ATOM 1075 CG1 ILE A 72 9.091 -4.046 1.517 1.00 0.00 C ATOM 1076 CG2 ILE A 72 10.612 -2.152 2.149 1.00 0.00 C ATOM 1077 CD1 ILE A 72 8.759 -4.485 2.925 1.00 0.00 C ATOM 0 H ILE A 72 8.956 -2.323 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 72 11.802 -2.732 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 72 11.209 -4.169 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.361 -3.303 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.994 -4.900 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.368 -2.327 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.631 -1.773 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.920 -1.420 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.748 -4.892 2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.466 -5.251 3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.823 -3.630 3.597 1.00 0.00 H new ATOM 1089 N SER A 73 9.804 -5.009 -1.398 1.00 0.00 N ATOM 1090 CA SER A 73 9.747 -6.285 -2.101 1.00 0.00 C ATOM 1091 C SER A 73 10.954 -6.454 -3.019 1.00 0.00 C ATOM 1092 O SER A 73 11.298 -5.553 -3.782 1.00 0.00 O ATOM 1093 CB SER A 73 8.456 -6.387 -2.914 1.00 0.00 C ATOM 1094 OG SER A 73 8.490 -7.503 -3.788 1.00 0.00 O ATOM 0 H SER A 73 8.928 -4.487 -1.401 1.00 0.00 H new ATOM 0 HA SER A 73 9.763 -7.082 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.604 -6.475 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.313 -5.473 -3.491 1.00 0.00 H new ATOM 0 HG SER A 73 7.653 -7.547 -4.295 1.00 0.00 H new ATOM 1100 N GLY A 74 11.595 -7.616 -2.936 1.00 0.00 N ATOM 1101 CA GLY A 74 12.757 -7.884 -3.765 1.00 0.00 C ATOM 1102 C GLY A 74 12.421 -7.912 -5.243 1.00 0.00 C ATOM 1103 O GLY A 74 11.416 -7.355 -5.684 1.00 0.00 O ATOM 0 H GLY A 74 11.331 -8.377 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.514 -7.121 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.193 -8.841 -3.476 1.00 0.00 H new ATOM 1107 N PRO A 75 13.278 -8.573 -6.035 1.00 0.00 N ATOM 1108 CA PRO A 75 13.089 -8.688 -7.484 1.00 0.00 C ATOM 1109 C PRO A 75 11.909 -9.584 -7.846 1.00 0.00 C ATOM 1110 O PRO A 75 11.130 -9.269 -8.745 1.00 0.00 O ATOM 1111 CB PRO A 75 14.402 -9.310 -7.965 1.00 0.00 C ATOM 1112 CG PRO A 75 14.925 -10.051 -6.782 1.00 0.00 C ATOM 1113 CD PRO A 75 14.497 -9.260 -5.577 1.00 0.00 C ATOM 0 HA PRO A 75 12.865 -7.725 -7.943 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.237 -9.979 -8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.105 -8.545 -8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.524 -11.064 -6.747 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.011 -10.140 -6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.297 -9.906 -4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.265 -8.551 -5.268 1.00 0.00 H new ATOM 1121 N SER A 76 11.785 -10.703 -7.140 1.00 0.00 N ATOM 1122 CA SER A 76 10.701 -11.647 -7.389 1.00 0.00 C ATOM 1123 C SER A 76 10.762 -12.178 -8.817 1.00 0.00 C ATOM 1124 O SER A 76 9.735 -12.340 -9.476 1.00 0.00 O ATOM 1125 CB SER A 76 9.346 -10.979 -7.138 1.00 0.00 C ATOM 1126 OG SER A 76 9.259 -10.484 -5.814 1.00 0.00 O ATOM 0 H SER A 76 12.421 -10.978 -6.392 1.00 0.00 H new ATOM 0 HA SER A 76 10.817 -12.485 -6.702 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.203 -10.162 -7.845 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.545 -11.697 -7.315 1.00 0.00 H new ATOM 0 HG SER A 76 8.385 -10.061 -5.680 1.00 0.00 H new ATOM 1132 N SER A 77 11.975 -12.450 -9.290 1.00 0.00 N ATOM 1133 CA SER A 77 12.172 -12.959 -10.642 1.00 0.00 C ATOM 1134 C SER A 77 12.293 -14.480 -10.636 1.00 0.00 C ATOM 1135 O SER A 77 11.552 -15.176 -11.329 1.00 0.00 O ATOM 1136 CB SER A 77 13.423 -12.339 -11.265 1.00 0.00 C ATOM 1137 OG SER A 77 13.513 -12.651 -12.645 1.00 0.00 O ATOM 0 H SER A 77 12.836 -12.326 -8.757 1.00 0.00 H new ATOM 0 HA SER A 77 11.303 -12.683 -11.239 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.400 -11.257 -11.134 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.310 -12.704 -10.748 1.00 0.00 H new ATOM 0 HG SER A 77 14.320 -12.242 -13.021 1.00 0.00 H new ATOM 1143 N GLY A 78 13.235 -14.990 -9.848 1.00 0.00 N ATOM 1144 CA GLY A 78 13.438 -16.425 -9.765 1.00 0.00 C ATOM 1145 C GLY A 78 12.220 -17.152 -9.233 1.00 0.00 C ATOM 1146 O GLY A 78 12.240 -18.373 -9.071 1.00 0.00 O ATOM 0 H GLY A 78 13.861 -14.435 -9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.685 -16.812 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.292 -16.631 -9.119 1.00 0.00 H new TER 1150 GLY A 78