USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 804 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 57 TYR OH : rot 122:sc= 0.226 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -166:sc= 1.75 (180deg=1.11) USER MOD Set 2.1: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 96 TYR OH : rot -140:sc= -0.0532 USER MOD Set 3.1: A 30 GLN : amide:sc= 1.4 K(o=1.5,f=-6.9!) USER MOD Set 3.2: A 41 THR OG1 : rot -16:sc= 0.0815 USER MOD Single : A 0 SER OG : rot -65:sc= 1 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ 163:sc= 1.26 (180deg=1.21) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0492) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.16) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -111:sc= 0.597 (180deg=0.000933) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0268 (180deg=-0.248) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0223 (180deg=-0.218) USER MOD Single : A 37 TYR OH : rot 130:sc= -0.117 USER MOD Single : A 42 LYS NZ :NH3+ 139:sc= -2.5! (180deg=-4.99!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 143:sc= 1.02 USER MOD Single : A 50 SER OG : rot 180:sc= -0.198 USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= 1.04 (180deg=-1.11!) USER MOD Single : A 56 TYR OH : rot 141:sc= 0.258 USER MOD Single : A 59 SER OG : rot 18:sc= 0.445 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.09) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -132:sc= -0.435 (180deg=-3.71!) USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.98) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.635 8.699 3.594 1.00 0.00 N ATOM 2 CA GLY A -1 5.659 7.595 3.759 1.00 0.00 C ATOM 3 C GLY A -1 6.327 6.266 4.055 1.00 0.00 C ATOM 4 O GLY A -1 5.974 5.592 5.021 1.00 0.00 O ATOM 0 H1 GLY A -1 6.174 9.502 3.120 1.00 0.00 H new ATOM 0 H2 GLY A -1 6.980 9.000 4.528 1.00 0.00 H new ATOM 0 H3 GLY A -1 7.437 8.371 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A -1 4.972 7.840 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A -1 5.062 7.504 2.851 1.00 0.00 H new ATOM 10 N SER A 0 7.289 5.887 3.227 1.00 0.00 N ATOM 11 CA SER A 0 7.999 4.630 3.397 1.00 0.00 C ATOM 12 C SER A 0 9.031 4.751 4.516 1.00 0.00 C ATOM 13 O SER A 0 9.769 5.737 4.585 1.00 0.00 O ATOM 14 CB SER A 0 8.676 4.242 2.076 1.00 0.00 C ATOM 15 OG SER A 0 7.802 4.457 0.990 1.00 0.00 O ATOM 0 H SER A 0 7.597 6.437 2.425 1.00 0.00 H new ATOM 0 HA SER A 0 7.290 3.850 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.585 4.829 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.975 3.194 2.108 1.00 0.00 H new ATOM 0 HG SER A 0 7.034 3.853 1.064 1.00 0.00 H new ATOM 21 N LEU A 1 9.039 3.771 5.410 1.00 0.00 N ATOM 22 CA LEU A 1 10.017 3.703 6.492 1.00 0.00 C ATOM 23 C LEU A 1 10.388 2.244 6.736 1.00 0.00 C ATOM 24 O LEU A 1 9.815 1.590 7.609 1.00 0.00 O ATOM 25 CB LEU A 1 9.453 4.309 7.788 1.00 0.00 C ATOM 26 CG LEU A 1 9.008 5.772 7.715 1.00 0.00 C ATOM 27 CD1 LEU A 1 8.210 6.145 8.954 1.00 0.00 C ATOM 28 CD2 LEU A 1 10.207 6.695 7.552 1.00 0.00 C ATOM 0 H LEU A 1 8.370 3.001 5.407 1.00 0.00 H new ATOM 0 HA LEU A 1 10.898 4.276 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.601 3.708 8.104 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.212 4.221 8.566 1.00 0.00 H new ATOM 0 HG LEU A 1 8.368 5.892 6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.901 7.188 8.887 1.00 0.00 H new ATOM 0 HD12 LEU A 1 7.328 5.509 9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.829 6.006 9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.866 7.729 7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.877 6.574 8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.738 6.444 6.634 1.00 0.00 H new ATOM 40 N ILE A 2 11.309 1.726 5.935 1.00 0.00 N ATOM 41 CA ILE A 2 11.611 0.292 5.933 1.00 0.00 C ATOM 42 C ILE A 2 13.072 0.018 5.542 1.00 0.00 C ATOM 43 O ILE A 2 13.688 -0.935 6.027 1.00 0.00 O ATOM 44 CB ILE A 2 10.678 -0.485 4.947 1.00 0.00 C ATOM 45 CG1 ILE A 2 9.213 -0.460 5.400 1.00 0.00 C ATOM 46 CG2 ILE A 2 11.126 -1.925 4.774 1.00 0.00 C ATOM 47 CD1 ILE A 2 8.365 0.577 4.694 1.00 0.00 C ATOM 0 H ILE A 2 11.863 2.273 5.276 1.00 0.00 H new ATOM 0 HA ILE A 2 11.440 -0.058 6.951 1.00 0.00 H new ATOM 0 HB ILE A 2 10.753 0.029 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.776 -1.445 5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.179 -0.272 6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.455 -2.434 4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.141 -1.945 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.105 -2.431 5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.343 0.530 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.775 1.570 4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.366 0.379 3.622 1.00 0.00 H new ATOM 59 N LEU A 3 13.632 0.871 4.693 1.00 0.00 N ATOM 60 CA LEU A 3 14.883 0.567 4.005 1.00 0.00 C ATOM 61 C LEU A 3 15.591 1.872 3.625 1.00 0.00 C ATOM 62 O LEU A 3 16.274 1.951 2.606 1.00 0.00 O ATOM 63 CB LEU A 3 14.540 -0.260 2.749 1.00 0.00 C ATOM 64 CG LEU A 3 15.579 -1.289 2.288 1.00 0.00 C ATOM 65 CD1 LEU A 3 14.898 -2.386 1.486 1.00 0.00 C ATOM 66 CD2 LEU A 3 16.657 -0.641 1.441 1.00 0.00 C ATOM 0 H LEU A 3 13.238 1.783 4.463 1.00 0.00 H new ATOM 0 HA LEU A 3 15.554 -0.002 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.603 -0.785 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.360 0.432 1.926 1.00 0.00 H new ATOM 0 HG LEU A 3 16.048 -1.715 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.641 -3.114 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.152 -2.881 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.412 -1.950 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 3 17.378 -1.397 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.204 -0.187 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.165 0.127 2.024 1.00 0.00 H new ATOM 78 N ASP A 4 15.435 2.888 4.474 1.00 0.00 N ATOM 79 CA ASP A 4 15.936 4.240 4.192 1.00 0.00 C ATOM 80 C ASP A 4 17.389 4.232 3.719 1.00 0.00 C ATOM 81 O ASP A 4 17.731 4.883 2.729 1.00 0.00 O ATOM 82 CB ASP A 4 15.783 5.145 5.425 1.00 0.00 C ATOM 83 CG ASP A 4 16.470 4.602 6.664 1.00 0.00 C ATOM 84 OD1 ASP A 4 15.843 3.807 7.397 1.00 0.00 O ATOM 85 OD2 ASP A 4 17.635 4.971 6.917 1.00 0.00 O ATOM 0 H ASP A 4 14.961 2.802 5.373 1.00 0.00 H new ATOM 0 HA ASP A 4 15.330 4.640 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 4 16.190 6.130 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 4 14.722 5.280 5.637 1.00 0.00 H new ATOM 90 N GLY A 5 18.232 3.494 4.418 1.00 0.00 N ATOM 91 CA GLY A 5 19.612 3.349 4.010 1.00 0.00 C ATOM 92 C GLY A 5 20.081 1.931 4.208 1.00 0.00 C ATOM 93 O GLY A 5 21.196 1.691 4.668 1.00 0.00 O ATOM 0 H GLY A 5 17.984 2.988 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.718 3.629 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.240 4.029 4.586 1.00 0.00 H new ATOM 97 N ASP A 6 19.221 0.988 3.859 1.00 0.00 N ATOM 98 CA ASP A 6 19.481 -0.420 4.136 1.00 0.00 C ATOM 99 C ASP A 6 19.504 -1.226 2.848 1.00 0.00 C ATOM 100 O ASP A 6 19.924 -0.720 1.808 1.00 0.00 O ATOM 101 CB ASP A 6 18.415 -0.975 5.086 1.00 0.00 C ATOM 102 CG ASP A 6 18.345 -0.203 6.386 1.00 0.00 C ATOM 103 OD1 ASP A 6 19.353 -0.179 7.124 1.00 0.00 O ATOM 104 OD2 ASP A 6 17.284 0.387 6.673 1.00 0.00 O ATOM 0 H ASP A 6 18.337 1.169 3.384 1.00 0.00 H new ATOM 0 HA ASP A 6 20.459 -0.503 4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 6 17.442 -0.944 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 6 18.631 -2.022 5.299 1.00 0.00 H new ATOM 109 N LEU A 7 19.045 -2.473 2.931 1.00 0.00 N ATOM 110 CA LEU A 7 19.008 -3.382 1.785 1.00 0.00 C ATOM 111 C LEU A 7 17.971 -4.472 2.019 1.00 0.00 C ATOM 112 O LEU A 7 17.131 -4.736 1.158 1.00 0.00 O ATOM 113 CB LEU A 7 20.379 -4.027 1.541 1.00 0.00 C ATOM 114 CG LEU A 7 21.433 -3.114 0.911 1.00 0.00 C ATOM 115 CD1 LEU A 7 22.784 -3.805 0.880 1.00 0.00 C ATOM 116 CD2 LEU A 7 21.011 -2.700 -0.490 1.00 0.00 C ATOM 0 H LEU A 7 18.688 -2.883 3.794 1.00 0.00 H new ATOM 0 HA LEU A 7 18.739 -2.799 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.763 -4.394 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.243 -4.895 0.896 1.00 0.00 H new ATOM 0 HG LEU A 7 21.521 -2.216 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.522 -3.142 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.091 -4.051 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 7 22.711 -4.720 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 7 21.772 -2.051 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 7 20.895 -3.587 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.063 -2.164 -0.441 1.00 0.00 H new ATOM 128 N LEU A 8 18.051 -5.093 3.197 1.00 0.00 N ATOM 129 CA LEU A 8 17.141 -6.164 3.610 1.00 0.00 C ATOM 130 C LEU A 8 17.347 -7.437 2.792 1.00 0.00 C ATOM 131 O LEU A 8 17.850 -7.405 1.667 1.00 0.00 O ATOM 132 CB LEU A 8 15.679 -5.716 3.528 1.00 0.00 C ATOM 133 CG LEU A 8 15.281 -4.594 4.489 1.00 0.00 C ATOM 134 CD1 LEU A 8 13.800 -4.284 4.344 1.00 0.00 C ATOM 135 CD2 LEU A 8 15.604 -4.974 5.926 1.00 0.00 C ATOM 0 H LEU A 8 18.756 -4.865 3.898 1.00 0.00 H new ATOM 0 HA LEU A 8 17.378 -6.391 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.474 -5.388 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.041 -6.579 3.720 1.00 0.00 H new ATOM 0 HG LEU A 8 15.855 -3.703 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.527 -3.484 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.593 -3.969 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.217 -5.176 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.313 -4.161 6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.057 -5.878 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 8 16.674 -5.156 6.022 1.00 0.00 H new ATOM 147 N LYS A 9 16.960 -8.565 3.374 1.00 0.00 N ATOM 148 CA LYS A 9 17.104 -9.862 2.719 1.00 0.00 C ATOM 149 C LYS A 9 15.784 -10.620 2.783 1.00 0.00 C ATOM 150 O LYS A 9 15.707 -11.799 2.443 1.00 0.00 O ATOM 151 CB LYS A 9 18.209 -10.685 3.398 1.00 0.00 C ATOM 152 CG LYS A 9 19.563 -9.988 3.447 1.00 0.00 C ATOM 153 CD LYS A 9 20.109 -9.719 2.053 1.00 0.00 C ATOM 154 CE LYS A 9 21.402 -8.918 2.106 1.00 0.00 C ATOM 155 NZ LYS A 9 21.935 -8.634 0.748 1.00 0.00 N ATOM 0 H LYS A 9 16.542 -8.609 4.303 1.00 0.00 H new ATOM 0 HA LYS A 9 17.379 -9.700 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 9 17.897 -10.922 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.319 -11.632 2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 9 19.468 -9.047 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.270 -10.605 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 9 20.286 -10.665 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 9 19.367 -9.175 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 9 21.226 -7.979 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 9 22.147 -9.469 2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.816 -8.087 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 22.127 -9.530 0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.235 -8.086 0.208 1.00 0.00 H new ATOM 169 N ASP A 10 14.749 -9.916 3.219 1.00 0.00 N ATOM 170 CA ASP A 10 13.437 -10.510 3.454 1.00 0.00 C ATOM 171 C ASP A 10 12.763 -10.889 2.141 1.00 0.00 C ATOM 172 O ASP A 10 12.829 -10.141 1.159 1.00 0.00 O ATOM 173 CB ASP A 10 12.552 -9.522 4.219 1.00 0.00 C ATOM 174 CG ASP A 10 13.222 -8.986 5.468 1.00 0.00 C ATOM 175 OD1 ASP A 10 14.150 -8.159 5.335 1.00 0.00 O ATOM 176 OD2 ASP A 10 12.826 -9.387 6.583 1.00 0.00 O ATOM 0 H ASP A 10 14.793 -8.917 3.420 1.00 0.00 H new ATOM 0 HA ASP A 10 13.574 -11.416 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.293 -8.690 3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.619 -10.014 4.494 1.00 0.00 H new ATOM 181 N LYS A 11 12.112 -12.047 2.123 1.00 0.00 N ATOM 182 CA LYS A 11 11.427 -12.511 0.929 1.00 0.00 C ATOM 183 C LYS A 11 10.234 -13.403 1.271 1.00 0.00 C ATOM 184 O LYS A 11 10.365 -14.624 1.349 1.00 0.00 O ATOM 185 CB LYS A 11 12.390 -13.256 -0.004 1.00 0.00 C ATOM 186 CG LYS A 11 11.710 -13.850 -1.233 1.00 0.00 C ATOM 187 CD LYS A 11 11.067 -12.777 -2.095 1.00 0.00 C ATOM 188 CE LYS A 11 10.016 -13.362 -3.028 1.00 0.00 C ATOM 189 NZ LYS A 11 10.564 -14.438 -3.899 1.00 0.00 N ATOM 0 H LYS A 11 12.046 -12.678 2.922 1.00 0.00 H new ATOM 0 HA LYS A 11 11.051 -11.627 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.173 -12.570 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.878 -14.056 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.443 -14.400 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.951 -14.567 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.608 -12.023 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.835 -12.273 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.192 -13.762 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.605 -12.568 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.851 -14.709 -4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.417 -14.092 -4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.807 -15.265 -3.317 1.00 0.00 H new ATOM 203 N LEU A 12 9.098 -12.766 1.531 1.00 0.00 N ATOM 204 CA LEU A 12 7.790 -13.427 1.577 1.00 0.00 C ATOM 205 C LEU A 12 7.726 -14.535 2.620 1.00 0.00 C ATOM 206 O LEU A 12 8.147 -15.666 2.366 1.00 0.00 O ATOM 207 CB LEU A 12 7.445 -14.016 0.206 1.00 0.00 C ATOM 208 CG LEU A 12 5.950 -14.185 -0.080 1.00 0.00 C ATOM 209 CD1 LEU A 12 5.221 -12.860 0.073 1.00 0.00 C ATOM 210 CD2 LEU A 12 5.746 -14.740 -1.480 1.00 0.00 C ATOM 0 H LEU A 12 9.054 -11.764 1.719 1.00 0.00 H new ATOM 0 HA LEU A 12 7.067 -12.661 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.875 -13.375 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.927 -14.990 0.116 1.00 0.00 H new ATOM 0 HG LEU A 12 5.537 -14.888 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.160 -13.002 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.345 -12.492 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.634 -12.135 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.680 -14.856 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.174 -14.053 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.238 -15.709 -1.562 1.00 0.00 H new ATOM 222 N LYS A 13 7.191 -14.221 3.785 1.00 0.00 N ATOM 223 CA LYS A 13 6.947 -15.245 4.782 1.00 0.00 C ATOM 224 C LYS A 13 5.680 -16.010 4.420 1.00 0.00 C ATOM 225 O LYS A 13 4.592 -15.681 4.900 1.00 0.00 O ATOM 226 CB LYS A 13 6.807 -14.645 6.181 1.00 0.00 C ATOM 227 CG LYS A 13 6.770 -15.699 7.279 1.00 0.00 C ATOM 228 CD LYS A 13 6.112 -15.174 8.542 1.00 0.00 C ATOM 229 CE LYS A 13 4.625 -14.940 8.334 1.00 0.00 C ATOM 230 NZ LYS A 13 3.960 -14.469 9.576 1.00 0.00 N ATOM 0 H LYS A 13 6.920 -13.277 4.062 1.00 0.00 H new ATOM 0 HA LYS A 13 7.802 -15.921 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.640 -13.966 6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.895 -14.050 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.228 -16.575 6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.786 -16.023 7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.260 -15.885 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.590 -14.242 8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.480 -14.204 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.155 -15.865 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.947 -14.321 9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.076 -15.182 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.391 -13.573 9.882 1.00 0.00 H new ATOM 244 N LEU A 14 5.836 -16.987 3.524 1.00 0.00 N ATOM 245 CA LEU A 14 4.736 -17.834 3.066 1.00 0.00 C ATOM 246 C LEU A 14 3.821 -17.071 2.104 1.00 0.00 C ATOM 247 O LEU A 14 3.880 -15.843 2.021 1.00 0.00 O ATOM 248 CB LEU A 14 3.932 -18.384 4.253 1.00 0.00 C ATOM 249 CG LEU A 14 4.727 -19.241 5.239 1.00 0.00 C ATOM 250 CD1 LEU A 14 3.849 -19.660 6.408 1.00 0.00 C ATOM 251 CD2 LEU A 14 5.304 -20.461 4.539 1.00 0.00 C ATOM 0 H LEU A 14 6.733 -17.213 3.095 1.00 0.00 H new ATOM 0 HA LEU A 14 5.168 -18.678 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.496 -17.545 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.104 -18.978 3.866 1.00 0.00 H new ATOM 0 HG LEU A 14 5.553 -18.645 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.431 -20.269 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.483 -18.773 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.003 -20.239 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.867 -21.059 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.493 -21.060 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.966 -20.140 3.735 1.00 0.00 H new ATOM 263 N PRO A 15 2.994 -17.795 1.328 1.00 0.00 N ATOM 264 CA PRO A 15 2.020 -17.182 0.421 1.00 0.00 C ATOM 265 C PRO A 15 1.069 -16.233 1.143 1.00 0.00 C ATOM 266 O PRO A 15 0.538 -16.572 2.199 1.00 0.00 O ATOM 267 CB PRO A 15 1.252 -18.378 -0.159 1.00 0.00 C ATOM 268 CG PRO A 15 1.581 -19.526 0.721 1.00 0.00 C ATOM 269 CD PRO A 15 2.958 -19.261 1.249 1.00 0.00 C ATOM 0 HA PRO A 15 2.508 -16.571 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.179 -18.187 -0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.551 -18.574 -1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.861 -19.612 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.550 -20.464 0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.114 -19.723 2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.729 -19.650 0.584 1.00 0.00 H new ATOM 277 N VAL A 16 0.873 -15.055 0.538 1.00 0.00 N ATOM 278 CA VAL A 16 0.021 -13.971 1.060 1.00 0.00 C ATOM 279 C VAL A 16 0.201 -13.705 2.553 1.00 0.00 C ATOM 280 O VAL A 16 -0.320 -14.401 3.426 1.00 0.00 O ATOM 281 CB VAL A 16 -1.480 -14.124 0.698 1.00 0.00 C ATOM 282 CG1 VAL A 16 -2.056 -15.448 1.166 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.292 -12.955 1.254 1.00 0.00 C ATOM 0 H VAL A 16 1.313 -14.820 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 16 0.385 -13.087 0.537 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.548 -14.114 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.108 -15.505 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.512 -16.268 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.962 -15.523 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.342 -13.082 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.193 -12.927 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.922 -12.021 0.831 1.00 0.00 H new ATOM 293 N ILE A 17 0.942 -12.651 2.807 1.00 0.00 N ATOM 294 CA ILE A 17 1.188 -12.154 4.142 1.00 0.00 C ATOM 295 C ILE A 17 -0.084 -11.479 4.665 1.00 0.00 C ATOM 296 O ILE A 17 -0.900 -11.002 3.868 1.00 0.00 O ATOM 297 CB ILE A 17 2.366 -11.151 4.111 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.580 -11.778 3.422 1.00 0.00 C ATOM 299 CG2 ILE A 17 2.746 -10.700 5.501 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.766 -10.843 3.293 1.00 0.00 C ATOM 0 H ILE A 17 1.400 -12.104 2.078 1.00 0.00 H new ATOM 0 HA ILE A 17 1.452 -12.976 4.807 1.00 0.00 H new ATOM 0 HB ILE A 17 2.039 -10.277 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.886 -12.662 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.287 -12.116 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.576 -9.996 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.892 -10.214 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.045 -11.564 6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.585 -11.361 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.479 -9.970 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.088 -10.525 4.285 1.00 0.00 H new ATOM 312 N ASP A 18 -0.256 -11.435 5.984 1.00 0.00 N ATOM 313 CA ASP A 18 -1.501 -10.947 6.578 1.00 0.00 C ATOM 314 C ASP A 18 -1.747 -9.480 6.237 1.00 0.00 C ATOM 315 O ASP A 18 -0.811 -8.729 5.947 1.00 0.00 O ATOM 316 CB ASP A 18 -1.493 -11.137 8.100 1.00 0.00 C ATOM 317 CG ASP A 18 -2.790 -10.689 8.741 1.00 0.00 C ATOM 318 OD1 ASP A 18 -2.735 -9.929 9.727 1.00 0.00 O ATOM 319 OD2 ASP A 18 -3.868 -11.073 8.246 1.00 0.00 O ATOM 0 H ASP A 18 0.448 -11.730 6.661 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.314 -11.536 6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.319 -12.188 8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.664 -10.574 8.530 1.00 0.00 H new ATOM 324 N ASN A 19 -3.014 -9.079 6.280 1.00 0.00 N ATOM 325 CA ASN A 19 -3.416 -7.721 5.927 1.00 0.00 C ATOM 326 C ASN A 19 -2.740 -6.704 6.841 1.00 0.00 C ATOM 327 O ASN A 19 -2.395 -5.607 6.411 1.00 0.00 O ATOM 328 CB ASN A 19 -4.945 -7.566 5.995 1.00 0.00 C ATOM 329 CG ASN A 19 -5.498 -7.572 7.412 1.00 0.00 C ATOM 330 OD1 ASN A 19 -5.631 -6.521 8.043 1.00 0.00 O ATOM 331 ND2 ASN A 19 -5.826 -8.750 7.920 1.00 0.00 N ATOM 0 H ASN A 19 -3.788 -9.683 6.559 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.097 -7.532 4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.229 -6.633 5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.409 -8.375 5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.204 -8.810 8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.701 -9.597 7.366 1.00 0.00 H new ATOM 338 N LEU A 20 -2.538 -7.090 8.096 1.00 0.00 N ATOM 339 CA LEU A 20 -1.894 -6.236 9.080 1.00 0.00 C ATOM 340 C LEU A 20 -0.518 -5.793 8.640 1.00 0.00 C ATOM 341 O LEU A 20 -0.187 -4.626 8.750 1.00 0.00 O ATOM 342 CB LEU A 20 -1.776 -6.959 10.409 1.00 0.00 C ATOM 343 CG LEU A 20 -2.848 -6.606 11.423 1.00 0.00 C ATOM 344 CD1 LEU A 20 -2.959 -7.700 12.466 1.00 0.00 C ATOM 345 CD2 LEU A 20 -2.525 -5.259 12.053 1.00 0.00 C ATOM 0 H LEU A 20 -2.816 -8.003 8.457 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.520 -5.350 9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.808 -8.033 10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.800 -6.738 10.841 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.815 -6.527 10.927 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.731 -7.437 13.189 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.222 -8.640 11.981 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.004 -7.811 12.980 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.295 -5.004 12.782 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.557 -5.313 12.551 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.492 -4.493 11.278 1.00 0.00 H new ATOM 357 N PHE A 21 0.280 -6.722 8.143 1.00 0.00 N ATOM 358 CA PHE A 21 1.650 -6.416 7.761 1.00 0.00 C ATOM 359 C PHE A 21 1.670 -5.342 6.676 1.00 0.00 C ATOM 360 O PHE A 21 2.469 -4.405 6.725 1.00 0.00 O ATOM 361 CB PHE A 21 2.355 -7.686 7.280 1.00 0.00 C ATOM 362 CG PHE A 21 3.843 -7.542 7.159 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.644 -7.550 8.290 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.443 -7.406 5.919 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.015 -7.423 8.186 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.814 -7.279 5.810 1.00 0.00 C ATOM 367 CZ PHE A 21 6.602 -7.287 6.944 1.00 0.00 C ATOM 0 H PHE A 21 0.005 -7.693 7.994 1.00 0.00 H new ATOM 0 HA PHE A 21 2.184 -6.032 8.630 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.133 -8.498 7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.947 -7.972 6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.190 -7.657 9.264 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.833 -7.399 5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.628 -7.430 9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.270 -7.173 4.837 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.674 -7.187 6.859 1.00 0.00 H new ATOM 377 N GLY A 22 0.760 -5.464 5.717 1.00 0.00 N ATOM 378 CA GLY A 22 0.661 -4.476 4.662 1.00 0.00 C ATOM 379 C GLY A 22 0.032 -3.193 5.152 1.00 0.00 C ATOM 380 O GLY A 22 0.289 -2.114 4.618 1.00 0.00 O ATOM 0 H GLY A 22 0.089 -6.230 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.655 -4.266 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.070 -4.880 3.840 1.00 0.00 H new ATOM 384 N LYS A 23 -0.792 -3.313 6.180 1.00 0.00 N ATOM 385 CA LYS A 23 -1.475 -2.168 6.751 1.00 0.00 C ATOM 386 C LYS A 23 -0.547 -1.420 7.691 1.00 0.00 C ATOM 387 O LYS A 23 -0.663 -0.215 7.861 1.00 0.00 O ATOM 388 CB LYS A 23 -2.744 -2.619 7.475 1.00 0.00 C ATOM 389 CG LYS A 23 -3.597 -1.467 7.969 1.00 0.00 C ATOM 390 CD LYS A 23 -5.040 -1.892 8.151 1.00 0.00 C ATOM 391 CE LYS A 23 -5.197 -2.880 9.294 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.608 -3.310 9.462 1.00 0.00 N ATOM 0 H LYS A 23 -1.004 -4.200 6.638 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.765 -1.489 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.337 -3.238 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.467 -3.246 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.202 -1.098 8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.545 -0.642 7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.656 -1.014 8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.405 -2.343 7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.571 -3.753 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.843 -2.425 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.674 -3.984 10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.202 -2.481 9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.938 -3.767 8.588 1.00 0.00 H new ATOM 406 N GLU A 24 0.377 -2.149 8.288 1.00 0.00 N ATOM 407 CA GLU A 24 1.416 -1.568 9.092 1.00 0.00 C ATOM 408 C GLU A 24 2.372 -0.780 8.199 1.00 0.00 C ATOM 409 O GLU A 24 2.968 0.209 8.626 1.00 0.00 O ATOM 410 CB GLU A 24 2.128 -2.683 9.856 1.00 0.00 C ATOM 411 CG GLU A 24 1.350 -3.191 11.049 1.00 0.00 C ATOM 412 CD GLU A 24 2.240 -3.714 12.155 1.00 0.00 C ATOM 413 OE1 GLU A 24 2.373 -4.948 12.292 1.00 0.00 O ATOM 414 OE2 GLU A 24 2.806 -2.892 12.907 1.00 0.00 O ATOM 0 H GLU A 24 0.421 -3.166 8.224 1.00 0.00 H new ATOM 0 HA GLU A 24 1.000 -0.870 9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.318 -3.514 9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.098 -2.319 10.194 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.728 -2.386 11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.677 -3.985 10.726 1.00 0.00 H new ATOM 421 N LEU A 25 2.504 -1.226 6.948 1.00 0.00 N ATOM 422 CA LEU A 25 3.149 -0.429 5.915 1.00 0.00 C ATOM 423 C LEU A 25 2.311 0.813 5.650 1.00 0.00 C ATOM 424 O LEU A 25 2.695 1.924 6.003 1.00 0.00 O ATOM 425 CB LEU A 25 3.261 -1.213 4.609 1.00 0.00 C ATOM 426 CG LEU A 25 4.003 -2.539 4.681 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.861 -3.279 3.364 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.465 -2.315 5.029 1.00 0.00 C ATOM 0 H LEU A 25 2.171 -2.136 6.630 1.00 0.00 H new ATOM 0 HA LEU A 25 4.148 -0.164 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.254 -1.404 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.759 -0.582 3.873 1.00 0.00 H new ATOM 0 HG LEU A 25 3.565 -3.150 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.394 -4.228 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.806 -3.467 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.281 -2.674 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.979 -3.275 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.929 -1.692 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.537 -1.817 5.996 1.00 0.00 H new ATOM 440 N LEU A 26 1.144 0.588 5.039 1.00 0.00 N ATOM 441 CA LEU A 26 0.211 1.637 4.668 1.00 0.00 C ATOM 442 C LEU A 26 -0.063 2.638 5.790 1.00 0.00 C ATOM 443 O LEU A 26 -0.382 3.790 5.515 1.00 0.00 O ATOM 444 CB LEU A 26 -1.100 1.006 4.206 1.00 0.00 C ATOM 445 CG LEU A 26 -1.133 0.577 2.740 1.00 0.00 C ATOM 446 CD1 LEU A 26 -2.418 -0.173 2.427 1.00 0.00 C ATOM 447 CD2 LEU A 26 -0.959 1.768 1.842 1.00 0.00 C ATOM 0 H LEU A 26 0.823 -0.347 4.787 1.00 0.00 H new ATOM 0 HA LEU A 26 0.676 2.202 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.304 0.134 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.908 1.717 4.378 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.302 -0.105 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.420 -0.469 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.483 -1.062 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.274 0.473 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.985 1.446 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.765 2.480 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.001 2.244 2.051 1.00 0.00 H new ATOM 459 N ASP A 27 0.036 2.211 7.040 1.00 0.00 N ATOM 460 CA ASP A 27 -0.154 3.122 8.166 1.00 0.00 C ATOM 461 C ASP A 27 0.897 4.226 8.130 1.00 0.00 C ATOM 462 O ASP A 27 0.582 5.406 8.280 1.00 0.00 O ATOM 463 CB ASP A 27 -0.078 2.375 9.497 1.00 0.00 C ATOM 464 CG ASP A 27 -0.542 3.228 10.661 1.00 0.00 C ATOM 465 OD1 ASP A 27 0.270 4.011 11.198 1.00 0.00 O ATOM 466 OD2 ASP A 27 -1.727 3.121 11.041 1.00 0.00 O ATOM 0 H ASP A 27 0.245 1.248 7.302 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.146 3.565 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.690 1.475 9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.948 2.052 9.672 1.00 0.00 H new ATOM 471 N LYS A 28 2.146 3.834 7.904 1.00 0.00 N ATOM 472 CA LYS A 28 3.239 4.789 7.743 1.00 0.00 C ATOM 473 C LYS A 28 3.023 5.601 6.472 1.00 0.00 C ATOM 474 O LYS A 28 3.320 6.795 6.410 1.00 0.00 O ATOM 475 CB LYS A 28 4.587 4.060 7.648 1.00 0.00 C ATOM 476 CG LYS A 28 4.883 3.136 8.816 1.00 0.00 C ATOM 477 CD LYS A 28 6.216 2.425 8.633 1.00 0.00 C ATOM 478 CE LYS A 28 6.454 1.394 9.721 1.00 0.00 C ATOM 479 NZ LYS A 28 7.764 0.705 9.570 1.00 0.00 N ATOM 0 H LYS A 28 2.429 2.857 7.828 1.00 0.00 H new ATOM 0 HA LYS A 28 3.253 5.447 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.608 3.479 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.383 4.801 7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.899 3.710 9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.085 2.399 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.238 1.938 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.024 3.157 8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.413 1.881 10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.653 0.655 9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.605 -0.287 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.322 1.179 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.281 0.741 10.471 1.00 0.00 H new ATOM 493 N PHE A 29 2.478 4.934 5.465 1.00 0.00 N ATOM 494 CA PHE A 29 2.273 5.531 4.153 1.00 0.00 C ATOM 495 C PHE A 29 1.040 6.422 4.121 1.00 0.00 C ATOM 496 O PHE A 29 0.810 7.124 3.140 1.00 0.00 O ATOM 497 CB PHE A 29 2.140 4.443 3.091 1.00 0.00 C ATOM 498 CG PHE A 29 3.422 3.731 2.782 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.073 2.990 3.751 1.00 0.00 C ATOM 500 CD2 PHE A 29 3.971 3.795 1.516 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.245 2.328 3.470 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.145 3.135 1.228 1.00 0.00 C ATOM 503 CZ PHE A 29 5.782 2.400 2.207 1.00 0.00 C ATOM 0 H PHE A 29 2.166 3.965 5.534 1.00 0.00 H new ATOM 0 HA PHE A 29 3.145 6.150 3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.402 3.713 3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.755 4.890 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.654 2.930 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.476 4.367 0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.741 1.754 4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.567 3.193 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.702 1.882 1.981 1.00 0.00 H new ATOM 513 N GLN A 30 0.252 6.407 5.191 1.00 0.00 N ATOM 514 CA GLN A 30 -0.935 7.221 5.280 1.00 0.00 C ATOM 515 C GLN A 30 -0.568 8.685 5.523 1.00 0.00 C ATOM 516 O GLN A 30 -1.408 9.505 5.871 1.00 0.00 O ATOM 517 CB GLN A 30 -1.830 6.684 6.389 1.00 0.00 C ATOM 518 CG GLN A 30 -3.229 7.190 6.286 1.00 0.00 C ATOM 519 CD GLN A 30 -4.142 6.711 7.400 1.00 0.00 C ATOM 520 OE1 GLN A 30 -4.782 5.669 7.292 1.00 0.00 O ATOM 521 NE2 GLN A 30 -4.219 7.477 8.476 1.00 0.00 N ATOM 0 H GLN A 30 0.425 5.829 6.014 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.479 7.175 4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.837 5.595 6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.415 6.967 7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.211 8.280 6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.647 6.880 5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.672 8.336 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.825 7.208 9.251 1.00 0.00 H new ATOM 530 N ASP A 31 0.703 8.996 5.352 1.00 0.00 N ATOM 531 CA ASP A 31 1.154 10.373 5.326 1.00 0.00 C ATOM 532 C ASP A 31 1.502 10.764 3.895 1.00 0.00 C ATOM 533 O ASP A 31 1.329 11.910 3.489 1.00 0.00 O ATOM 534 CB ASP A 31 2.367 10.556 6.244 1.00 0.00 C ATOM 535 CG ASP A 31 3.009 11.923 6.107 1.00 0.00 C ATOM 536 OD1 ASP A 31 4.039 12.031 5.411 1.00 0.00 O ATOM 537 OD2 ASP A 31 2.489 12.894 6.699 1.00 0.00 O ATOM 0 H ASP A 31 1.445 8.308 5.228 1.00 0.00 H new ATOM 0 HA ASP A 31 0.355 11.020 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.059 10.407 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.107 9.788 6.018 1.00 0.00 H new ATOM 542 N ASP A 32 1.949 9.782 3.122 1.00 0.00 N ATOM 543 CA ASP A 32 2.342 10.011 1.739 1.00 0.00 C ATOM 544 C ASP A 32 1.141 9.847 0.820 1.00 0.00 C ATOM 545 O ASP A 32 0.759 10.768 0.106 1.00 0.00 O ATOM 546 CB ASP A 32 3.441 9.039 1.330 1.00 0.00 C ATOM 547 CG ASP A 32 4.005 9.346 -0.041 1.00 0.00 C ATOM 548 OD1 ASP A 32 3.406 8.911 -1.037 1.00 0.00 O ATOM 549 OD2 ASP A 32 5.050 10.026 -0.117 1.00 0.00 O ATOM 0 H ASP A 32 2.048 8.815 3.432 1.00 0.00 H new ATOM 0 HA ASP A 32 2.723 11.029 1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.244 9.073 2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.045 8.024 1.337 1.00 0.00 H new ATOM 554 N ILE A 33 0.526 8.671 0.884 1.00 0.00 N ATOM 555 CA ILE A 33 -0.643 8.349 0.072 1.00 0.00 C ATOM 556 C ILE A 33 -1.800 9.299 0.392 1.00 0.00 C ATOM 557 O ILE A 33 -2.643 9.601 -0.454 1.00 0.00 O ATOM 558 CB ILE A 33 -1.079 6.880 0.318 1.00 0.00 C ATOM 559 CG1 ILE A 33 0.072 5.927 -0.020 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.299 6.531 -0.518 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.116 4.520 0.513 1.00 0.00 C ATOM 0 H ILE A 33 0.823 7.914 1.500 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.375 8.469 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.339 6.773 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.187 5.882 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.999 6.336 0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.586 5.497 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.124 7.191 -0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.063 6.655 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.740 3.907 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.200 4.551 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.024 4.089 0.091 1.00 0.00 H new ATOM 573 N LYS A 34 -1.803 9.801 1.615 1.00 0.00 N ATOM 574 CA LYS A 34 -2.854 10.682 2.085 1.00 0.00 C ATOM 575 C LYS A 34 -2.603 12.094 1.591 1.00 0.00 C ATOM 576 O LYS A 34 -3.531 12.846 1.309 1.00 0.00 O ATOM 577 CB LYS A 34 -2.884 10.648 3.599 1.00 0.00 C ATOM 578 CG LYS A 34 -4.152 11.211 4.214 1.00 0.00 C ATOM 579 CD LYS A 34 -4.161 10.980 5.710 1.00 0.00 C ATOM 580 CE LYS A 34 -5.510 11.290 6.333 1.00 0.00 C ATOM 581 NZ LYS A 34 -6.563 10.343 5.881 1.00 0.00 N ATOM 0 H LYS A 34 -1.079 9.609 2.307 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.817 10.349 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.761 9.617 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.030 11.208 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.223 12.278 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.024 10.739 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.898 9.943 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.397 11.602 6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.426 11.248 7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.803 12.308 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.384 10.409 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.854 10.584 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.188 9.373 5.899 1.00 0.00 H new ATOM 595 N ASP A 35 -1.338 12.443 1.486 1.00 0.00 N ATOM 596 CA ASP A 35 -0.952 13.731 0.945 1.00 0.00 C ATOM 597 C ASP A 35 -1.114 13.746 -0.565 1.00 0.00 C ATOM 598 O ASP A 35 -1.697 14.666 -1.136 1.00 0.00 O ATOM 599 CB ASP A 35 0.494 14.041 1.298 1.00 0.00 C ATOM 600 CG ASP A 35 0.935 15.399 0.790 1.00 0.00 C ATOM 601 OD1 ASP A 35 0.499 16.423 1.357 1.00 0.00 O ATOM 602 OD2 ASP A 35 1.725 15.447 -0.175 1.00 0.00 O ATOM 0 H ASP A 35 -0.557 11.851 1.769 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.602 14.489 1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.617 14.004 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.141 13.271 0.877 1.00 0.00 H new ATOM 607 N LYS A 36 -0.602 12.704 -1.200 1.00 0.00 N ATOM 608 CA LYS A 36 -0.593 12.609 -2.652 1.00 0.00 C ATOM 609 C LYS A 36 -1.988 12.417 -3.242 1.00 0.00 C ATOM 610 O LYS A 36 -2.291 12.971 -4.299 1.00 0.00 O ATOM 611 CB LYS A 36 0.324 11.481 -3.103 1.00 0.00 C ATOM 612 CG LYS A 36 1.772 11.729 -2.758 1.00 0.00 C ATOM 613 CD LYS A 36 2.679 10.896 -3.619 1.00 0.00 C ATOM 614 CE LYS A 36 4.124 10.976 -3.155 1.00 0.00 C ATOM 615 NZ LYS A 36 4.579 12.382 -3.001 1.00 0.00 N ATOM 0 H LYS A 36 -0.183 11.904 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.216 13.561 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.000 10.549 -2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.229 11.351 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.006 12.785 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.945 11.495 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.347 9.858 -3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.610 11.233 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.229 10.454 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.765 10.464 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.614 12.403 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.301 12.931 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.141 12.798 -2.155 1.00 0.00 H new ATOM 629 N TYR A 37 -2.833 11.633 -2.580 1.00 0.00 N ATOM 630 CA TYR A 37 -4.142 11.298 -3.143 1.00 0.00 C ATOM 631 C TYR A 37 -5.286 11.605 -2.182 1.00 0.00 C ATOM 632 O TYR A 37 -6.426 11.789 -2.608 1.00 0.00 O ATOM 633 CB TYR A 37 -4.177 9.820 -3.533 1.00 0.00 C ATOM 634 CG TYR A 37 -3.035 9.416 -4.431 1.00 0.00 C ATOM 635 CD1 TYR A 37 -2.987 9.840 -5.750 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.997 8.625 -3.953 1.00 0.00 C ATOM 637 CE1 TYR A 37 -1.939 9.488 -6.570 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.944 8.265 -4.769 1.00 0.00 C ATOM 639 CZ TYR A 37 -0.920 8.702 -6.080 1.00 0.00 C ATOM 640 OH TYR A 37 0.124 8.359 -6.904 1.00 0.00 O ATOM 0 H TYR A 37 -2.642 11.222 -1.666 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.283 11.922 -4.026 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.153 9.212 -2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.120 9.606 -4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.784 10.456 -6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.015 8.287 -2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.916 9.827 -7.595 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.145 7.647 -4.386 1.00 0.00 H new ATOM 0 HH TYR A 37 0.973 8.553 -6.455 1.00 0.00 H new ATOM 650 N GLY A 38 -4.988 11.658 -0.895 1.00 0.00 N ATOM 651 CA GLY A 38 -6.030 11.895 0.092 1.00 0.00 C ATOM 652 C GLY A 38 -6.695 10.609 0.532 1.00 0.00 C ATOM 653 O GLY A 38 -7.909 10.560 0.734 1.00 0.00 O ATOM 0 H GLY A 38 -4.050 11.542 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.601 12.397 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.780 12.567 -0.326 1.00 0.00 H new ATOM 657 N VAL A 39 -5.891 9.568 0.689 1.00 0.00 N ATOM 658 CA VAL A 39 -6.393 8.246 1.020 1.00 0.00 C ATOM 659 C VAL A 39 -6.224 7.945 2.503 1.00 0.00 C ATOM 660 O VAL A 39 -5.328 8.475 3.159 1.00 0.00 O ATOM 661 CB VAL A 39 -5.633 7.176 0.221 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.234 5.796 0.422 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.605 7.533 -1.258 1.00 0.00 C ATOM 0 H VAL A 39 -4.877 9.617 0.591 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.453 8.228 0.768 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.610 7.150 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.670 5.066 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.191 5.531 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.272 5.800 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.063 6.764 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.625 7.598 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.107 8.493 -1.391 1.00 0.00 H new ATOM 673 N ASP A 40 -7.090 7.092 3.017 1.00 0.00 N ATOM 674 CA ASP A 40 -6.957 6.585 4.371 1.00 0.00 C ATOM 675 C ASP A 40 -6.709 5.084 4.309 1.00 0.00 C ATOM 676 O ASP A 40 -7.506 4.342 3.729 1.00 0.00 O ATOM 677 CB ASP A 40 -8.214 6.884 5.186 1.00 0.00 C ATOM 678 CG ASP A 40 -8.043 6.522 6.644 1.00 0.00 C ATOM 679 OD1 ASP A 40 -8.289 5.355 7.002 1.00 0.00 O ATOM 680 OD2 ASP A 40 -7.658 7.411 7.433 1.00 0.00 O ATOM 0 H ASP A 40 -7.900 6.733 2.512 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.118 7.077 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.457 7.943 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.056 6.329 4.771 1.00 0.00 H new ATOM 685 N THR A 41 -5.605 4.640 4.888 1.00 0.00 N ATOM 686 CA THR A 41 -5.183 3.257 4.751 1.00 0.00 C ATOM 687 C THR A 41 -5.798 2.377 5.828 1.00 0.00 C ATOM 688 O THR A 41 -5.831 1.152 5.702 1.00 0.00 O ATOM 689 CB THR A 41 -3.654 3.132 4.796 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.147 3.668 6.025 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.020 3.866 3.624 1.00 0.00 C ATOM 0 H THR A 41 -4.986 5.217 5.457 1.00 0.00 H new ATOM 0 HA THR A 41 -5.535 2.915 3.778 1.00 0.00 H new ATOM 0 HB THR A 41 -3.399 2.074 4.731 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.838 4.215 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.936 3.765 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.381 3.438 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.288 4.922 3.668 1.00 0.00 H new ATOM 699 N LYS A 42 -6.285 3.007 6.881 1.00 0.00 N ATOM 700 CA LYS A 42 -6.991 2.310 7.930 1.00 0.00 C ATOM 701 C LYS A 42 -8.343 1.847 7.404 1.00 0.00 C ATOM 702 O LYS A 42 -8.858 0.795 7.790 1.00 0.00 O ATOM 703 CB LYS A 42 -7.162 3.253 9.116 1.00 0.00 C ATOM 704 CG LYS A 42 -7.737 2.594 10.345 1.00 0.00 C ATOM 705 CD LYS A 42 -7.838 3.564 11.516 1.00 0.00 C ATOM 706 CE LYS A 42 -6.474 3.905 12.115 1.00 0.00 C ATOM 707 NZ LYS A 42 -5.622 4.729 11.213 1.00 0.00 N ATOM 0 H LYS A 42 -6.201 4.013 7.029 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.429 1.434 8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.193 3.684 9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.811 4.078 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.726 2.198 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.112 1.747 10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.324 4.481 11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.472 3.130 12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.621 4.440 13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.949 2.980 12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.134 5.460 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.919 4.120 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.218 5.183 10.492 1.00 0.00 H new ATOM 721 N ASP A 43 -8.902 2.650 6.510 1.00 0.00 N ATOM 722 CA ASP A 43 -10.155 2.326 5.839 1.00 0.00 C ATOM 723 C ASP A 43 -9.929 1.316 4.713 1.00 0.00 C ATOM 724 O ASP A 43 -10.846 0.589 4.326 1.00 0.00 O ATOM 725 CB ASP A 43 -10.791 3.605 5.284 1.00 0.00 C ATOM 726 CG ASP A 43 -12.057 3.351 4.492 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.097 3.025 5.105 1.00 0.00 O ATOM 728 OD2 ASP A 43 -12.031 3.508 3.255 1.00 0.00 O ATOM 0 H ASP A 43 -8.501 3.545 6.229 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.830 1.874 6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.017 4.278 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.068 4.115 4.647 1.00 0.00 H new ATOM 733 N LEU A 44 -8.700 1.263 4.202 1.00 0.00 N ATOM 734 CA LEU A 44 -8.357 0.361 3.110 1.00 0.00 C ATOM 735 C LEU A 44 -8.561 -1.097 3.502 1.00 0.00 C ATOM 736 O LEU A 44 -8.245 -1.512 4.619 1.00 0.00 O ATOM 737 CB LEU A 44 -6.907 0.565 2.666 1.00 0.00 C ATOM 738 CG LEU A 44 -6.625 1.853 1.888 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.157 1.920 1.497 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.512 1.941 0.652 1.00 0.00 C ATOM 0 H LEU A 44 -7.924 1.838 4.530 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.025 0.598 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.270 0.550 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.613 -0.283 2.047 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.854 2.703 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.969 2.841 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.540 1.904 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.908 1.063 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.295 2.864 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.317 1.088 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.559 1.935 0.954 1.00 0.00 H new ATOM 752 N LYS A 45 -9.080 -1.866 2.564 1.00 0.00 N ATOM 753 CA LYS A 45 -9.328 -3.272 2.769 1.00 0.00 C ATOM 754 C LYS A 45 -8.225 -4.084 2.108 1.00 0.00 C ATOM 755 O LYS A 45 -8.254 -4.325 0.905 1.00 0.00 O ATOM 756 CB LYS A 45 -10.693 -3.621 2.181 1.00 0.00 C ATOM 757 CG LYS A 45 -10.993 -5.098 2.129 1.00 0.00 C ATOM 758 CD LYS A 45 -12.307 -5.346 1.413 1.00 0.00 C ATOM 759 CE LYS A 45 -12.642 -6.822 1.318 1.00 0.00 C ATOM 760 NZ LYS A 45 -13.856 -7.048 0.495 1.00 0.00 N ATOM 0 H LYS A 45 -9.341 -1.528 1.638 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.331 -3.507 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.465 -3.127 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.754 -3.215 1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.187 -5.621 1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.041 -5.502 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.108 -4.827 1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.257 -4.922 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.800 -7.361 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.798 -7.227 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.059 -8.067 0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.664 -6.553 0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.697 -6.683 -0.466 1.00 0.00 H new ATOM 774 N ILE A 46 -7.237 -4.475 2.887 1.00 0.00 N ATOM 775 CA ILE A 46 -6.096 -5.187 2.342 1.00 0.00 C ATOM 776 C ILE A 46 -6.431 -6.646 2.091 1.00 0.00 C ATOM 777 O ILE A 46 -6.925 -7.353 2.972 1.00 0.00 O ATOM 778 CB ILE A 46 -4.864 -5.063 3.252 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.490 -3.584 3.392 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.699 -5.875 2.692 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.243 -3.340 4.196 1.00 0.00 C ATOM 0 H ILE A 46 -7.199 -4.314 3.893 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.852 -4.723 1.387 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.098 -5.464 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.357 -3.158 2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.320 -3.053 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.836 -5.775 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.985 -6.925 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.443 -5.506 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.047 -2.269 4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.377 -3.734 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.400 -3.840 3.720 1.00 0.00 H new ATOM 793 N LEU A 47 -6.163 -7.077 0.874 1.00 0.00 N ATOM 794 CA LEU A 47 -6.513 -8.409 0.426 1.00 0.00 C ATOM 795 C LEU A 47 -5.308 -9.328 0.527 1.00 0.00 C ATOM 796 O LEU A 47 -5.373 -10.404 1.121 1.00 0.00 O ATOM 797 CB LEU A 47 -6.977 -8.346 -1.029 1.00 0.00 C ATOM 798 CG LEU A 47 -7.850 -7.139 -1.381 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.173 -7.133 -2.866 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.134 -7.142 -0.560 1.00 0.00 C ATOM 0 H LEU A 47 -5.695 -6.511 0.166 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.313 -8.798 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.098 -8.340 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.533 -9.256 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.292 -6.234 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.794 -6.268 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.248 -7.080 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.709 -8.046 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.739 -6.275 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.695 -8.053 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.888 -7.100 0.501 1.00 0.00 H new ATOM 812 N LYS A 48 -4.203 -8.877 -0.044 1.00 0.00 N ATOM 813 CA LYS A 48 -3.003 -9.679 -0.134 1.00 0.00 C ATOM 814 C LYS A 48 -1.772 -8.828 0.129 1.00 0.00 C ATOM 815 O LYS A 48 -1.493 -7.885 -0.613 1.00 0.00 O ATOM 816 CB LYS A 48 -2.886 -10.300 -1.525 1.00 0.00 C ATOM 817 CG LYS A 48 -1.784 -11.341 -1.628 1.00 0.00 C ATOM 818 CD LYS A 48 -1.482 -11.714 -3.066 1.00 0.00 C ATOM 819 CE LYS A 48 -2.708 -12.243 -3.788 1.00 0.00 C ATOM 820 NZ LYS A 48 -2.419 -12.549 -5.213 1.00 0.00 N ATOM 0 H LYS A 48 -4.117 -7.948 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.066 -10.467 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.837 -10.761 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.700 -9.511 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.879 -10.958 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.077 -12.234 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.100 -10.840 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.696 -12.469 -3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.064 -13.144 -3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.510 -11.507 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.280 -12.908 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.103 -11.684 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.671 -13.270 -5.269 1.00 0.00 H new ATOM 834 N THR A 49 -1.047 -9.158 1.177 1.00 0.00 N ATOM 835 CA THR A 49 0.227 -8.522 1.441 1.00 0.00 C ATOM 836 C THR A 49 1.341 -9.433 0.954 1.00 0.00 C ATOM 837 O THR A 49 1.282 -10.645 1.140 1.00 0.00 O ATOM 838 CB THR A 49 0.421 -8.236 2.941 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.698 -7.500 3.452 1.00 0.00 O ATOM 840 CG2 THR A 49 1.702 -7.453 3.184 1.00 0.00 C ATOM 0 H THR A 49 -1.318 -9.864 1.861 1.00 0.00 H new ATOM 0 HA THR A 49 0.250 -7.568 0.914 1.00 0.00 H new ATOM 0 HB THR A 49 0.494 -9.191 3.461 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.902 -7.804 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.816 -7.264 4.251 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.554 -8.029 2.825 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.655 -6.504 2.650 1.00 0.00 H new ATOM 848 N SER A 50 2.328 -8.875 0.286 1.00 0.00 N ATOM 849 CA SER A 50 3.456 -9.662 -0.172 1.00 0.00 C ATOM 850 C SER A 50 4.692 -8.790 -0.301 1.00 0.00 C ATOM 851 O SER A 50 4.640 -7.585 -0.050 1.00 0.00 O ATOM 852 CB SER A 50 3.140 -10.312 -1.525 1.00 0.00 C ATOM 853 OG SER A 50 1.916 -11.027 -1.484 1.00 0.00 O ATOM 0 H SER A 50 2.374 -7.884 0.048 1.00 0.00 H new ATOM 0 HA SER A 50 3.648 -10.444 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.088 -9.543 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.949 -10.988 -1.803 1.00 0.00 H new ATOM 0 HG SER A 50 1.742 -11.428 -2.361 1.00 0.00 H new ATOM 859 N GLU A 51 5.795 -9.403 -0.694 1.00 0.00 N ATOM 860 CA GLU A 51 7.033 -8.687 -0.916 1.00 0.00 C ATOM 861 C GLU A 51 7.889 -9.454 -1.911 1.00 0.00 C ATOM 862 O GLU A 51 7.615 -10.620 -2.202 1.00 0.00 O ATOM 863 CB GLU A 51 7.799 -8.501 0.396 1.00 0.00 C ATOM 864 CG GLU A 51 8.433 -9.774 0.918 1.00 0.00 C ATOM 865 CD GLU A 51 9.217 -9.559 2.192 1.00 0.00 C ATOM 866 OE1 GLU A 51 10.017 -8.602 2.247 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.055 -10.367 3.126 1.00 0.00 O ATOM 0 H GLU A 51 5.855 -10.406 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 51 6.799 -7.700 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.577 -7.752 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.118 -8.109 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.654 -10.515 1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.094 -10.184 0.155 1.00 0.00 H new ATOM 874 N ASP A 52 8.918 -8.805 -2.420 1.00 0.00 N ATOM 875 CA ASP A 52 9.824 -9.436 -3.367 1.00 0.00 C ATOM 876 C ASP A 52 11.208 -8.813 -3.254 1.00 0.00 C ATOM 877 O ASP A 52 11.587 -7.962 -4.054 1.00 0.00 O ATOM 878 CB ASP A 52 9.283 -9.315 -4.795 1.00 0.00 C ATOM 879 CG ASP A 52 10.138 -10.048 -5.808 1.00 0.00 C ATOM 880 OD1 ASP A 52 10.570 -11.185 -5.525 1.00 0.00 O ATOM 881 OD2 ASP A 52 10.370 -9.501 -6.907 1.00 0.00 O ATOM 0 H ASP A 52 9.150 -7.838 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 52 9.901 -10.497 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.268 -9.710 -4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.225 -8.262 -5.069 1.00 0.00 H new ATOM 886 N LYS A 53 11.938 -9.238 -2.222 1.00 0.00 N ATOM 887 CA LYS A 53 13.254 -8.690 -1.884 1.00 0.00 C ATOM 888 C LYS A 53 13.185 -7.178 -1.671 1.00 0.00 C ATOM 889 O LYS A 53 12.878 -6.712 -0.580 1.00 0.00 O ATOM 890 CB LYS A 53 14.323 -9.020 -2.940 1.00 0.00 C ATOM 891 CG LYS A 53 14.574 -10.502 -3.164 1.00 0.00 C ATOM 892 CD LYS A 53 13.676 -11.068 -4.252 1.00 0.00 C ATOM 893 CE LYS A 53 13.870 -10.332 -5.573 1.00 0.00 C ATOM 894 NZ LYS A 53 13.021 -10.890 -6.655 1.00 0.00 N ATOM 0 H LYS A 53 11.631 -9.978 -1.591 1.00 0.00 H new ATOM 0 HA LYS A 53 13.552 -9.170 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.026 -8.571 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.261 -8.549 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.618 -10.657 -3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.404 -11.044 -2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.892 -12.128 -4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.634 -10.993 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.635 -9.276 -5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.917 -10.390 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.681 -10.118 -7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.579 -11.558 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.208 -11.386 -6.237 1.00 0.00 H new ATOM 908 N ARG A 54 13.419 -6.418 -2.729 1.00 0.00 N ATOM 909 CA ARG A 54 13.470 -4.964 -2.645 1.00 0.00 C ATOM 910 C ARG A 54 12.066 -4.365 -2.763 1.00 0.00 C ATOM 911 O ARG A 54 11.893 -3.156 -2.912 1.00 0.00 O ATOM 912 CB ARG A 54 14.368 -4.431 -3.769 1.00 0.00 C ATOM 913 CG ARG A 54 14.638 -2.941 -3.693 1.00 0.00 C ATOM 914 CD ARG A 54 15.412 -2.441 -4.898 1.00 0.00 C ATOM 915 NE ARG A 54 16.757 -3.002 -4.969 1.00 0.00 N ATOM 916 CZ ARG A 54 17.798 -2.361 -5.499 1.00 0.00 C ATOM 917 NH1 ARG A 54 17.649 -1.138 -5.991 1.00 0.00 N ATOM 918 NH2 ARG A 54 18.986 -2.947 -5.539 1.00 0.00 N ATOM 0 H ARG A 54 13.578 -6.787 -3.666 1.00 0.00 H new ATOM 0 HA ARG A 54 13.879 -4.675 -1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.319 -4.963 -3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.903 -4.656 -4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.692 -2.404 -3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.199 -2.720 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.867 -2.695 -5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.477 -1.354 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 54 16.909 -3.937 -4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.735 -0.685 -5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.448 -0.650 -6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.103 -3.888 -5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.783 -2.457 -5.945 1.00 0.00 H new ATOM 932 N PHE A 55 11.054 -5.209 -2.661 1.00 0.00 N ATOM 933 CA PHE A 55 9.698 -4.777 -2.966 1.00 0.00 C ATOM 934 C PHE A 55 8.677 -5.267 -1.949 1.00 0.00 C ATOM 935 O PHE A 55 8.907 -6.233 -1.227 1.00 0.00 O ATOM 936 CB PHE A 55 9.290 -5.259 -4.361 1.00 0.00 C ATOM 937 CG PHE A 55 10.075 -4.635 -5.479 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.723 -3.391 -5.978 1.00 0.00 C ATOM 939 CD2 PHE A 55 11.160 -5.293 -6.035 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.439 -2.816 -7.010 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.880 -4.723 -7.065 1.00 0.00 C ATOM 942 CZ PHE A 55 11.519 -3.482 -7.554 1.00 0.00 C ATOM 0 H PHE A 55 11.141 -6.184 -2.374 1.00 0.00 H new ATOM 0 HA PHE A 55 9.704 -3.688 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.408 -6.342 -4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.232 -5.047 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.880 -2.865 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 55 11.446 -6.264 -5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.154 -1.846 -7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.725 -5.246 -7.488 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.081 -3.034 -8.360 1.00 0.00 H new ATOM 952 N TYR A 56 7.565 -4.551 -1.908 1.00 0.00 N ATOM 953 CA TYR A 56 6.363 -4.938 -1.184 1.00 0.00 C ATOM 954 C TYR A 56 5.177 -4.824 -2.130 1.00 0.00 C ATOM 955 O TYR A 56 5.158 -3.953 -3.000 1.00 0.00 O ATOM 956 CB TYR A 56 6.112 -4.030 0.026 1.00 0.00 C ATOM 957 CG TYR A 56 6.820 -4.445 1.292 1.00 0.00 C ATOM 958 CD1 TYR A 56 7.742 -3.609 1.902 1.00 0.00 C ATOM 959 CD2 TYR A 56 6.555 -5.671 1.885 1.00 0.00 C ATOM 960 CE1 TYR A 56 8.382 -3.983 3.068 1.00 0.00 C ATOM 961 CE2 TYR A 56 7.191 -6.053 3.047 1.00 0.00 C ATOM 962 CZ TYR A 56 8.103 -5.207 3.635 1.00 0.00 C ATOM 963 OH TYR A 56 8.740 -5.586 4.796 1.00 0.00 O ATOM 0 H TYR A 56 7.470 -3.658 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 56 6.491 -5.958 -0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.420 -3.016 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.040 -3.998 0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.964 -2.650 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.838 -6.338 1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.097 -3.320 3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.974 -7.012 3.494 1.00 0.00 H new ATOM 0 HH TYR A 56 8.108 -6.060 5.376 1.00 0.00 H new ATOM 973 N TYR A 57 4.199 -5.692 -1.970 1.00 0.00 N ATOM 974 CA TYR A 57 3.010 -5.658 -2.809 1.00 0.00 C ATOM 975 C TYR A 57 1.763 -5.832 -1.965 1.00 0.00 C ATOM 976 O TYR A 57 1.451 -6.935 -1.520 1.00 0.00 O ATOM 977 CB TYR A 57 3.080 -6.733 -3.897 1.00 0.00 C ATOM 978 CG TYR A 57 4.192 -6.495 -4.891 1.00 0.00 C ATOM 979 CD1 TYR A 57 4.013 -5.631 -5.963 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.425 -7.118 -4.748 1.00 0.00 C ATOM 981 CE1 TYR A 57 5.029 -5.394 -6.863 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.447 -6.887 -5.648 1.00 0.00 C ATOM 983 CZ TYR A 57 6.243 -6.023 -6.702 1.00 0.00 C ATOM 984 OH TYR A 57 7.258 -5.782 -7.598 1.00 0.00 O ATOM 0 H TYR A 57 4.200 -6.431 -1.267 1.00 0.00 H new ATOM 0 HA TYR A 57 2.964 -4.685 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.221 -7.707 -3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.128 -6.769 -4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.062 -5.137 -6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.587 -7.793 -3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.874 -4.718 -7.691 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.400 -7.380 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 57 8.042 -5.439 -7.120 1.00 0.00 H new ATOM 994 N VAL A 58 1.071 -4.732 -1.725 1.00 0.00 N ATOM 995 CA VAL A 58 -0.122 -4.750 -0.894 1.00 0.00 C ATOM 996 C VAL A 58 -1.369 -4.533 -1.740 1.00 0.00 C ATOM 997 O VAL A 58 -1.736 -3.398 -2.048 1.00 0.00 O ATOM 998 CB VAL A 58 -0.051 -3.669 0.206 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.186 -3.837 1.201 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.296 -3.708 0.908 1.00 0.00 C ATOM 0 H VAL A 58 1.315 -3.813 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.176 -5.730 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.160 -2.693 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.116 -3.065 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.141 -3.748 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.117 -4.819 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.327 -2.939 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.440 -4.687 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.089 -3.526 0.183 1.00 0.00 H new ATOM 1010 N SER A 59 -2.006 -5.622 -2.140 1.00 0.00 N ATOM 1011 CA SER A 59 -3.218 -5.537 -2.936 1.00 0.00 C ATOM 1012 C SER A 59 -4.398 -5.248 -2.021 1.00 0.00 C ATOM 1013 O SER A 59 -4.584 -5.922 -1.008 1.00 0.00 O ATOM 1014 CB SER A 59 -3.449 -6.835 -3.706 1.00 0.00 C ATOM 1015 OG SER A 59 -4.431 -6.667 -4.717 1.00 0.00 O ATOM 0 H SER A 59 -1.704 -6.573 -1.927 1.00 0.00 H new ATOM 0 HA SER A 59 -3.114 -4.730 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.513 -7.165 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.764 -7.618 -3.017 1.00 0.00 H new ATOM 0 HG SER A 59 -4.553 -5.712 -4.900 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.186 -4.244 -2.372 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.263 -3.790 -1.509 1.00 0.00 C ATOM 1023 C VAL A 60 -7.527 -3.491 -2.296 1.00 0.00 C ATOM 1024 O VAL A 60 -7.480 -3.209 -3.494 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.868 -2.514 -0.730 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.593 -2.738 0.060 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.713 -1.328 -1.671 1.00 0.00 C ATOM 0 H VAL A 60 -5.099 -3.729 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.452 -4.605 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.670 -2.288 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.335 -1.827 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.743 -3.551 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.783 -2.998 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.435 -0.443 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.936 -1.545 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.657 -1.146 -2.185 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.648 -3.569 -1.611 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.903 -3.066 -2.129 1.00 0.00 C ATOM 1039 C ASP A 61 -10.030 -1.623 -1.697 1.00 0.00 C ATOM 1040 O ASP A 61 -9.900 -1.306 -0.511 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.081 -3.888 -1.599 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.414 -3.469 -2.191 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.996 -4.254 -2.967 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.897 -2.366 -1.870 1.00 0.00 O ATOM 0 H ASP A 61 -8.715 -3.982 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.918 -3.143 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.908 -4.942 -1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.125 -3.791 -0.514 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.263 -0.751 -2.651 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.228 0.675 -2.393 1.00 0.00 C ATOM 1051 C ALA A 62 -11.579 1.205 -1.927 1.00 0.00 C ATOM 1052 O ALA A 62 -11.801 2.414 -1.896 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.761 1.396 -3.640 1.00 0.00 C ATOM 0 H ALA A 62 -10.479 -1.002 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.525 0.862 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.733 2.469 -3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.763 1.049 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.450 1.190 -4.459 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.478 0.303 -1.567 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.776 0.708 -1.075 1.00 0.00 C ATOM 1061 C GLY A 63 -14.814 0.725 -2.171 1.00 0.00 C ATOM 1062 O GLY A 63 -15.955 0.307 -1.967 1.00 0.00 O ATOM 0 H GLY A 63 -12.331 -0.706 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.093 0.027 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.702 1.700 -0.630 1.00 0.00 H new ATOM 1066 N ASP A 64 -14.407 1.203 -3.340 1.00 0.00 N ATOM 1067 CA ASP A 64 -15.279 1.273 -4.511 1.00 0.00 C ATOM 1068 C ASP A 64 -15.636 -0.120 -5.012 1.00 0.00 C ATOM 1069 O ASP A 64 -16.611 -0.300 -5.740 1.00 0.00 O ATOM 1070 CB ASP A 64 -14.585 2.039 -5.643 1.00 0.00 C ATOM 1071 CG ASP A 64 -14.260 3.472 -5.285 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -13.311 3.696 -4.507 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -14.942 4.387 -5.797 1.00 0.00 O ATOM 0 H ASP A 64 -13.464 1.554 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.191 1.791 -4.213 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.664 1.521 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.225 2.029 -6.525 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.842 -1.102 -4.613 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.986 -2.439 -5.146 1.00 0.00 C ATOM 1080 C GLY A 65 -13.855 -2.750 -6.096 1.00 0.00 C ATOM 1081 O GLY A 65 -13.685 -3.886 -6.542 1.00 0.00 O ATOM 0 H GLY A 65 -14.096 -0.995 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.995 -3.163 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.941 -2.530 -5.664 1.00 0.00 H new ATOM 1085 N GLU A 66 -13.081 -1.718 -6.401 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.918 -1.844 -7.248 1.00 0.00 C ATOM 1087 C GLU A 66 -10.764 -2.469 -6.474 1.00 0.00 C ATOM 1088 O GLU A 66 -10.785 -2.516 -5.241 1.00 0.00 O ATOM 1089 CB GLU A 66 -11.522 -0.471 -7.774 1.00 0.00 C ATOM 1090 CG GLU A 66 -12.572 0.168 -8.663 1.00 0.00 C ATOM 1091 CD GLU A 66 -12.143 1.526 -9.172 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -12.428 2.535 -8.493 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -11.506 1.589 -10.245 1.00 0.00 O ATOM 0 H GLU A 66 -13.248 -0.770 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.156 -2.494 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.324 0.189 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.591 -0.561 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.776 -0.487 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.504 0.269 -8.106 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.748 -2.915 -7.193 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.668 -3.661 -6.588 1.00 0.00 C ATOM 1102 C LYS A 67 -7.331 -3.044 -6.957 1.00 0.00 C ATOM 1103 O LYS A 67 -6.891 -3.102 -8.109 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.729 -5.125 -7.021 1.00 0.00 C ATOM 1105 CG LYS A 67 -7.662 -6.001 -6.388 1.00 0.00 C ATOM 1106 CD LYS A 67 -7.826 -7.456 -6.798 1.00 0.00 C ATOM 1107 CE LYS A 67 -9.138 -8.032 -6.285 1.00 0.00 C ATOM 1108 NZ LYS A 67 -9.348 -9.431 -6.738 1.00 0.00 N ATOM 0 H LYS A 67 -9.652 -2.771 -8.198 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.775 -3.620 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.711 -5.527 -6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.631 -5.177 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.675 -5.647 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.718 -5.918 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.792 -7.536 -7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.993 -8.041 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.147 -7.999 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.965 -7.412 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.253 -9.784 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.366 -9.460 -7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.573 -10.029 -6.388 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.698 -2.444 -5.976 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.430 -1.782 -6.174 1.00 0.00 C ATOM 1124 C CYS A 68 -4.322 -2.639 -5.600 1.00 0.00 C ATOM 1125 O CYS A 68 -4.579 -3.677 -4.986 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.452 -0.412 -5.496 1.00 0.00 C ATOM 1127 SG CYS A 68 -4.391 0.841 -6.283 1.00 0.00 S ATOM 0 H CYS A 68 -7.047 -2.401 -5.019 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.252 -1.639 -7.240 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.478 -0.044 -5.483 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.143 -0.530 -4.457 1.00 0.00 H new ATOM 1132 N LYS A 69 -3.099 -2.216 -5.811 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.949 -2.908 -5.271 1.00 0.00 C ATOM 1134 C LYS A 69 -0.851 -1.903 -4.995 1.00 0.00 C ATOM 1135 O LYS A 69 -0.216 -1.389 -5.918 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.460 -3.991 -6.238 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.148 -4.633 -5.823 1.00 0.00 C ATOM 1138 CD LYS A 69 0.441 -5.492 -6.932 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.449 -6.674 -7.277 1.00 0.00 C ATOM 1140 NZ LYS A 69 0.072 -7.428 -8.446 1.00 0.00 N ATOM 0 H LYS A 69 -2.871 -1.386 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.231 -3.401 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.223 -4.765 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.343 -3.554 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.565 -3.856 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.309 -5.246 -4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.591 -4.881 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.422 -5.855 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.521 -7.339 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.458 -6.320 -7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.560 -8.227 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.117 -6.799 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.024 -7.786 -8.232 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.665 -1.591 -3.726 1.00 0.00 N ATOM 1155 CA PHE A 70 0.377 -0.676 -3.326 1.00 0.00 C ATOM 1156 C PHE A 70 1.725 -1.337 -3.495 1.00 0.00 C ATOM 1157 O PHE A 70 2.168 -2.129 -2.659 1.00 0.00 O ATOM 1158 CB PHE A 70 0.170 -0.197 -1.892 1.00 0.00 C ATOM 1159 CG PHE A 70 -0.975 0.765 -1.769 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -0.804 2.102 -2.089 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.218 0.335 -1.343 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -1.852 2.992 -1.987 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.272 1.221 -1.238 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.089 2.552 -1.560 1.00 0.00 C ATOM 0 H PHE A 70 -1.225 -1.960 -2.957 1.00 0.00 H new ATOM 0 HA PHE A 70 0.337 0.205 -3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.011 -1.057 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.083 0.281 -1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.162 2.451 -2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.366 -0.704 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.706 4.032 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.239 0.874 -0.904 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.912 3.247 -1.478 1.00 0.00 H new ATOM 1174 N LYS A 71 2.341 -1.036 -4.618 1.00 0.00 N ATOM 1175 CA LYS A 71 3.631 -1.577 -4.956 1.00 0.00 C ATOM 1176 C LYS A 71 4.706 -0.755 -4.281 1.00 0.00 C ATOM 1177 O LYS A 71 5.227 0.209 -4.832 1.00 0.00 O ATOM 1178 CB LYS A 71 3.808 -1.576 -6.472 1.00 0.00 C ATOM 1179 CG LYS A 71 5.201 -1.937 -6.945 1.00 0.00 C ATOM 1180 CD LYS A 71 5.293 -1.808 -8.450 1.00 0.00 C ATOM 1181 CE LYS A 71 6.717 -2.007 -8.945 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.106 -3.442 -9.016 1.00 0.00 N ATOM 0 H LYS A 71 1.956 -0.406 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 71 3.709 -2.607 -4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.097 -2.278 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.554 -0.587 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.934 -1.284 -6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.442 -2.957 -6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.639 -2.543 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.936 -0.824 -8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.820 -1.558 -9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.404 -1.481 -8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.137 -3.517 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.815 -3.924 -8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.638 -3.889 -9.830 1.00 0.00 H new ATOM 1196 N ILE A 72 4.997 -1.104 -3.060 1.00 0.00 N ATOM 1197 CA ILE A 72 5.994 -0.395 -2.308 1.00 0.00 C ATOM 1198 C ILE A 72 7.369 -0.916 -2.684 1.00 0.00 C ATOM 1199 O ILE A 72 7.561 -2.112 -2.843 1.00 0.00 O ATOM 1200 CB ILE A 72 5.751 -0.554 -0.793 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.320 -0.130 -0.446 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.754 0.270 -0.006 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.925 -0.408 0.990 1.00 0.00 C ATOM 0 H ILE A 72 4.557 -1.878 -2.562 1.00 0.00 H new ATOM 0 HA ILE A 72 5.933 0.667 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 72 5.882 -1.602 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.211 0.937 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.628 -0.649 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.569 0.147 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.764 -0.066 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.650 1.322 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.899 -0.079 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.000 -1.477 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.592 0.132 1.662 1.00 0.00 H new ATOM 1215 N ARG A 73 8.324 -0.026 -2.857 1.00 0.00 N ATOM 1216 CA ARG A 73 9.691 -0.442 -3.123 1.00 0.00 C ATOM 1217 C ARG A 73 10.410 -0.510 -1.786 1.00 0.00 C ATOM 1218 O ARG A 73 11.584 -0.166 -1.655 1.00 0.00 O ATOM 1219 CB ARG A 73 10.357 0.536 -4.092 1.00 0.00 C ATOM 1220 CG ARG A 73 11.424 -0.100 -4.967 1.00 0.00 C ATOM 1221 CD ARG A 73 11.545 0.626 -6.294 1.00 0.00 C ATOM 1222 NE ARG A 73 12.570 0.046 -7.159 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.720 0.358 -8.446 1.00 0.00 C ATOM 1224 NH1 ARG A 73 11.928 1.265 -9.008 1.00 0.00 N ATOM 1225 NH2 ARG A 73 13.669 -0.229 -9.163 1.00 0.00 N ATOM 0 H ARG A 73 8.184 0.984 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 73 9.726 -1.421 -3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.592 0.978 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.805 1.350 -3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.383 -0.080 -4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.178 -1.147 -5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.584 0.600 -6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.780 1.674 -6.111 1.00 0.00 H new ATOM 0 HE ARG A 73 13.209 -0.638 -6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.204 1.723 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.044 1.503 -9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.283 -0.918 -8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.785 0.009 -10.148 1.00 0.00 H new ATOM 1239 N LYS A 74 9.649 -1.000 -0.807 1.00 0.00 N ATOM 1240 CA LYS A 74 10.012 -0.981 0.602 1.00 0.00 C ATOM 1241 C LYS A 74 10.273 0.440 1.086 1.00 0.00 C ATOM 1242 O LYS A 74 9.390 1.062 1.672 1.00 0.00 O ATOM 1243 CB LYS A 74 11.189 -1.918 0.896 1.00 0.00 C ATOM 1244 CG LYS A 74 10.834 -3.369 0.623 1.00 0.00 C ATOM 1245 CD LYS A 74 11.670 -4.342 1.433 1.00 0.00 C ATOM 1246 CE LYS A 74 10.984 -5.699 1.486 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.862 -6.772 2.023 1.00 0.00 N ATOM 0 H LYS A 74 8.741 -1.431 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 74 9.161 -1.361 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.044 -1.631 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.491 -1.807 1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.779 -3.529 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.969 -3.578 -0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.660 -4.443 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.813 -3.958 2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.090 -5.624 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.655 -5.973 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.289 -7.612 2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.581 -7.019 1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.330 -6.436 2.889 1.00 0.00 H new ATOM 1261 N ASP A 75 11.455 0.958 0.799 1.00 0.00 N ATOM 1262 CA ASP A 75 11.863 2.279 1.271 1.00 0.00 C ATOM 1263 C ASP A 75 13.278 2.552 0.794 1.00 0.00 C ATOM 1264 O ASP A 75 14.027 3.321 1.394 1.00 0.00 O ATOM 1265 CB ASP A 75 11.786 2.308 2.795 1.00 0.00 C ATOM 1266 CG ASP A 75 12.117 3.642 3.419 1.00 0.00 C ATOM 1267 OD1 ASP A 75 11.769 4.687 2.840 1.00 0.00 O ATOM 1268 OD2 ASP A 75 12.701 3.635 4.523 1.00 0.00 O ATOM 0 H ASP A 75 12.159 0.481 0.235 1.00 0.00 H new ATOM 0 HA ASP A 75 11.203 3.051 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.780 2.020 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.468 1.557 3.194 1.00 0.00 H new ATOM 1273 N VAL A 76 13.631 1.909 -0.313 1.00 0.00 N ATOM 1274 CA VAL A 76 14.988 1.953 -0.828 1.00 0.00 C ATOM 1275 C VAL A 76 15.414 3.368 -1.199 1.00 0.00 C ATOM 1276 O VAL A 76 15.082 3.874 -2.277 1.00 0.00 O ATOM 1277 CB VAL A 76 15.169 1.020 -2.045 1.00 0.00 C ATOM 1278 CG1 VAL A 76 15.175 -0.429 -1.602 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.088 1.254 -3.092 1.00 0.00 C ATOM 0 H VAL A 76 12.989 1.348 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 76 15.630 1.602 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 76 16.130 1.252 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.303 -1.075 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.996 -0.593 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.230 -0.664 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.246 0.581 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.109 1.063 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.135 2.286 -3.439 1.00 0.00 H new ATOM 1289 N ASP A 77 16.100 4.018 -0.258 1.00 0.00 N ATOM 1290 CA ASP A 77 16.731 5.323 -0.489 1.00 0.00 C ATOM 1291 C ASP A 77 15.710 6.460 -0.468 1.00 0.00 C ATOM 1292 O ASP A 77 15.984 7.543 0.049 1.00 0.00 O ATOM 1293 CB ASP A 77 17.493 5.321 -1.818 1.00 0.00 C ATOM 1294 CG ASP A 77 18.196 6.629 -2.101 1.00 0.00 C ATOM 1295 OD1 ASP A 77 19.332 6.819 -1.616 1.00 0.00 O ATOM 1296 OD2 ASP A 77 17.630 7.468 -2.831 1.00 0.00 O ATOM 0 H ASP A 77 16.235 3.657 0.686 1.00 0.00 H new ATOM 0 HA ASP A 77 17.434 5.494 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.227 4.516 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.797 5.107 -2.629 1.00 0.00 H new ATOM 1301 N VAL A 78 14.540 6.212 -1.031 1.00 0.00 N ATOM 1302 CA VAL A 78 13.488 7.208 -1.086 1.00 0.00 C ATOM 1303 C VAL A 78 12.331 6.808 -0.173 1.00 0.00 C ATOM 1304 O VAL A 78 11.883 5.660 -0.166 1.00 0.00 O ATOM 1305 CB VAL A 78 12.979 7.408 -2.529 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.414 6.110 -3.060 1.00 0.00 C ATOM 1307 CG2 VAL A 78 11.945 8.519 -2.617 1.00 0.00 C ATOM 0 H VAL A 78 14.295 5.320 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 78 13.906 8.154 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 78 13.826 7.709 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.057 6.259 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.192 5.346 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.586 5.788 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.613 8.626 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.091 8.272 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.388 9.456 -2.279 1.00 0.00 H new ATOM 1317 N PRO A 79 11.844 7.770 0.605 1.00 0.00 N ATOM 1318 CA PRO A 79 10.804 7.557 1.612 1.00 0.00 C ATOM 1319 C PRO A 79 9.381 7.495 1.059 1.00 0.00 C ATOM 1320 O PRO A 79 8.426 7.870 1.744 1.00 0.00 O ATOM 1321 CB PRO A 79 10.936 8.796 2.476 1.00 0.00 C ATOM 1322 CG PRO A 79 11.390 9.850 1.536 1.00 0.00 C ATOM 1323 CD PRO A 79 12.302 9.162 0.574 1.00 0.00 C ATOM 0 HA PRO A 79 10.943 6.598 2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.986 9.060 2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.654 8.645 3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.545 10.305 1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 79 11.908 10.650 2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.225 9.588 -0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.345 9.248 0.878 1.00 0.00 H new ATOM 1331 N LYS A 80 9.224 7.022 -0.154 1.00 0.00 N ATOM 1332 CA LYS A 80 7.896 6.863 -0.727 1.00 0.00 C ATOM 1333 C LYS A 80 7.857 5.642 -1.632 1.00 0.00 C ATOM 1334 O LYS A 80 8.882 5.209 -2.159 1.00 0.00 O ATOM 1335 CB LYS A 80 7.457 8.121 -1.478 1.00 0.00 C ATOM 1336 CG LYS A 80 8.306 8.431 -2.683 1.00 0.00 C ATOM 1337 CD LYS A 80 7.894 9.736 -3.337 1.00 0.00 C ATOM 1338 CE LYS A 80 8.911 10.182 -4.372 1.00 0.00 C ATOM 1339 NZ LYS A 80 8.531 11.472 -5.003 1.00 0.00 N ATOM 0 H LYS A 80 9.990 6.740 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 80 7.189 6.711 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.421 8.002 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.486 8.970 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.353 8.487 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.223 7.619 -3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.920 9.616 -3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.785 10.508 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.888 10.283 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.006 9.416 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.251 11.741 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.610 11.370 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.465 12.210 -4.273 1.00 0.00 H new ATOM 1353 N MET A 81 6.672 5.076 -1.772 1.00 0.00 N ATOM 1354 CA MET A 81 6.497 3.823 -2.485 1.00 0.00 C ATOM 1355 C MET A 81 6.717 4.024 -3.982 1.00 0.00 C ATOM 1356 O MET A 81 6.487 5.109 -4.518 1.00 0.00 O ATOM 1357 CB MET A 81 5.109 3.223 -2.170 1.00 0.00 C ATOM 1358 CG MET A 81 3.976 3.590 -3.125 1.00 0.00 C ATOM 1359 SD MET A 81 3.798 5.361 -3.441 1.00 0.00 S ATOM 1360 CE MET A 81 3.320 5.978 -1.832 1.00 0.00 C ATOM 0 H MET A 81 5.808 5.469 -1.397 1.00 0.00 H new ATOM 0 HA MET A 81 7.246 3.107 -2.147 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.203 2.137 -2.153 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.823 3.534 -1.165 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.140 3.080 -4.074 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.039 3.211 -2.717 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.457 6.636 -1.936 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.062 5.141 -1.183 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.149 6.534 -1.394 1.00 0.00 H new ATOM 1370 N VAL A 82 7.216 2.995 -4.645 1.00 0.00 N ATOM 1371 CA VAL A 82 7.489 3.091 -6.078 1.00 0.00 C ATOM 1372 C VAL A 82 6.200 3.082 -6.900 1.00 0.00 C ATOM 1373 O VAL A 82 6.042 3.876 -7.825 1.00 0.00 O ATOM 1374 CB VAL A 82 8.436 1.968 -6.577 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.823 0.582 -6.403 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.819 2.205 -8.030 1.00 0.00 C ATOM 0 H VAL A 82 7.440 2.093 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 82 7.993 4.047 -6.223 1.00 0.00 H new ATOM 0 HB VAL A 82 9.336 2.002 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.521 -0.173 -6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.615 0.406 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.895 0.521 -6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.484 1.409 -8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.920 2.212 -8.647 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.328 3.165 -8.120 1.00 0.00 H new ATOM 1386 N GLY A 83 5.274 2.207 -6.543 1.00 0.00 N ATOM 1387 CA GLY A 83 4.078 2.038 -7.330 1.00 0.00 C ATOM 1388 C GLY A 83 2.815 2.085 -6.502 1.00 0.00 C ATOM 1389 O GLY A 83 2.808 1.726 -5.327 1.00 0.00 O ATOM 0 H GLY A 83 5.332 1.610 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.037 2.818 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.127 1.084 -7.855 1.00 0.00 H new ATOM 1393 N ARG A 84 1.743 2.511 -7.136 1.00 0.00 N ATOM 1394 CA ARG A 84 0.459 2.694 -6.475 1.00 0.00 C ATOM 1395 C ARG A 84 -0.654 2.499 -7.495 1.00 0.00 C ATOM 1396 O ARG A 84 -1.637 3.237 -7.528 1.00 0.00 O ATOM 1397 CB ARG A 84 0.390 4.094 -5.860 1.00 0.00 C ATOM 1398 CG ARG A 84 0.870 5.180 -6.805 1.00 0.00 C ATOM 1399 CD ARG A 84 2.104 5.883 -6.260 1.00 0.00 C ATOM 1400 NE ARG A 84 2.716 6.768 -7.249 1.00 0.00 N ATOM 1401 CZ ARG A 84 4.023 7.030 -7.306 1.00 0.00 C ATOM 1402 NH1 ARG A 84 4.849 6.535 -6.392 1.00 0.00 N ATOM 1403 NH2 ARG A 84 4.497 7.806 -8.271 1.00 0.00 N ATOM 0 H ARG A 84 1.733 2.742 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 84 0.342 1.963 -5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.638 4.305 -5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.993 4.117 -4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.097 4.744 -7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.073 5.908 -6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.831 6.461 -5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.833 5.138 -5.940 1.00 0.00 H new ATOM 0 HE ARG A 84 2.108 7.212 -7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.486 5.950 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.847 6.740 -6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.863 8.200 -8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.496 8.009 -8.318 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.486 1.474 -8.310 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.354 1.239 -9.449 1.00 0.00 C ATOM 1419 C LYS A 85 -2.450 0.243 -9.106 1.00 0.00 C ATOM 1420 O LYS A 85 -2.196 -0.788 -8.478 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.534 0.730 -10.641 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.086 1.823 -11.597 1.00 0.00 C ATOM 1423 CD LYS A 85 0.715 1.245 -12.747 1.00 0.00 C ATOM 1424 CE LYS A 85 0.996 2.278 -13.824 1.00 0.00 C ATOM 1425 NZ LYS A 85 1.834 3.403 -13.330 1.00 0.00 N ATOM 0 H LYS A 85 0.255 0.782 -8.201 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.826 2.184 -9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.346 0.207 -10.266 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.128 0.001 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.957 2.351 -11.985 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.518 2.555 -11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.658 0.850 -12.369 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.171 0.407 -13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.498 1.796 -14.663 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.052 2.671 -14.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.316 3.856 -14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.230 4.101 -12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.543 3.040 -12.661 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.669 0.563 -9.504 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.787 -0.339 -9.313 1.00 0.00 C ATOM 1441 C CYS A 86 -5.084 -1.041 -10.624 1.00 0.00 C ATOM 1442 O CYS A 86 -5.326 -0.399 -11.646 1.00 0.00 O ATOM 1443 CB CYS A 86 -6.014 0.412 -8.820 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.632 1.736 -7.621 1.00 0.00 S ATOM 0 H CYS A 86 -3.908 1.443 -9.962 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.526 -1.077 -8.554 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.531 0.847 -9.675 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.702 -0.297 -8.358 1.00 0.00 H new ATOM 1449 N ARG A 87 -5.097 -2.354 -10.574 1.00 0.00 N ATOM 1450 CA ARG A 87 -5.028 -3.167 -11.767 1.00 0.00 C ATOM 1451 C ARG A 87 -6.253 -4.068 -11.844 1.00 0.00 C ATOM 1452 O ARG A 87 -6.228 -5.154 -12.417 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.729 -3.968 -11.703 1.00 0.00 C ATOM 1454 CG ARG A 87 -3.350 -4.662 -12.986 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.950 -5.233 -12.879 1.00 0.00 C ATOM 1456 NE ARG A 87 -1.596 -6.078 -14.014 1.00 0.00 N ATOM 1457 CZ ARG A 87 -0.357 -6.492 -14.260 1.00 0.00 C ATOM 1458 NH1 ARG A 87 0.641 -6.106 -13.478 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -0.114 -7.290 -15.291 1.00 0.00 N ATOM 0 H ARG A 87 -5.156 -2.888 -9.707 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.026 -2.555 -12.669 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.919 -3.297 -11.416 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.818 -4.716 -10.915 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.061 -5.460 -13.200 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.401 -3.959 -13.817 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.234 -4.415 -12.804 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.869 -5.814 -11.960 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.338 -6.366 -14.652 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.459 -5.490 -12.686 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.591 -6.425 -13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.879 -7.587 -15.897 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.838 -7.606 -15.478 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.335 -3.579 -11.258 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.594 -4.304 -11.211 1.00 0.00 C ATOM 1475 C LYS A 88 -9.146 -4.514 -12.615 1.00 0.00 C ATOM 1476 O LYS A 88 -9.561 -5.614 -12.976 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.593 -3.509 -10.366 1.00 0.00 C ATOM 1478 CG LYS A 88 -10.751 -4.331 -9.811 1.00 0.00 C ATOM 1479 CD LYS A 88 -11.854 -4.548 -10.840 1.00 0.00 C ATOM 1480 CE LYS A 88 -12.424 -3.229 -11.337 1.00 0.00 C ATOM 1481 NZ LYS A 88 -13.527 -3.431 -12.313 1.00 0.00 N ATOM 0 H LYS A 88 -7.364 -2.667 -10.801 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.428 -5.284 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.060 -3.049 -9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.998 -2.699 -10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.378 -5.298 -9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.166 -3.827 -8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.459 -5.115 -11.683 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.651 -5.146 -10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.791 -2.651 -10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.631 -2.644 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.887 -2.507 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.171 -3.961 -13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.296 -3.967 -11.862 1.00 0.00 H new ATOM 1495 N ASP A 89 -9.148 -3.447 -13.398 1.00 0.00 N ATOM 1496 CA ASP A 89 -9.728 -3.483 -14.732 1.00 0.00 C ATOM 1497 C ASP A 89 -8.653 -3.466 -15.807 1.00 0.00 C ATOM 1498 O ASP A 89 -8.673 -4.277 -16.733 1.00 0.00 O ATOM 1499 CB ASP A 89 -10.663 -2.290 -14.930 1.00 0.00 C ATOM 1500 CG ASP A 89 -11.277 -2.259 -16.316 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -10.717 -1.585 -17.206 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -12.325 -2.909 -16.522 1.00 0.00 O ATOM 0 H ASP A 89 -8.754 -2.544 -13.133 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.290 -4.412 -14.823 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.457 -2.327 -14.185 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -10.110 -1.366 -14.760 1.00 0.00 H new ATOM 1507 N ASP A 90 -7.711 -2.544 -15.676 1.00 0.00 N ATOM 1508 CA ASP A 90 -6.716 -2.320 -16.715 1.00 0.00 C ATOM 1509 C ASP A 90 -5.595 -3.354 -16.639 1.00 0.00 C ATOM 1510 O ASP A 90 -5.647 -4.290 -15.837 1.00 0.00 O ATOM 1511 CB ASP A 90 -6.138 -0.912 -16.592 1.00 0.00 C ATOM 1512 CG ASP A 90 -5.810 -0.303 -17.940 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -4.852 -0.763 -18.599 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -6.510 0.647 -18.346 1.00 0.00 O ATOM 0 H ASP A 90 -7.614 -1.939 -14.861 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.208 -2.424 -17.682 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.852 -0.273 -16.072 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.235 -0.945 -15.982 1.00 0.00 H new ATOM 1519 N ASP A 91 -4.587 -3.175 -17.475 1.00 0.00 N ATOM 1520 CA ASP A 91 -3.465 -4.094 -17.546 1.00 0.00 C ATOM 1521 C ASP A 91 -2.166 -3.316 -17.416 1.00 0.00 C ATOM 1522 O ASP A 91 -1.826 -2.519 -18.290 1.00 0.00 O ATOM 1523 CB ASP A 91 -3.490 -4.851 -18.872 1.00 0.00 C ATOM 1524 CG ASP A 91 -2.634 -6.099 -18.849 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -3.157 -7.165 -18.468 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -1.448 -6.030 -19.221 1.00 0.00 O ATOM 0 H ASP A 91 -4.523 -2.390 -18.123 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.538 -4.815 -16.731 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.518 -5.125 -19.110 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.143 -4.192 -19.668 1.00 0.00 H new ATOM 1531 N ASP A 92 -1.458 -3.527 -16.325 1.00 0.00 N ATOM 1532 CA ASP A 92 -0.260 -2.752 -16.038 1.00 0.00 C ATOM 1533 C ASP A 92 0.993 -3.607 -16.162 1.00 0.00 C ATOM 1534 O ASP A 92 0.917 -4.801 -16.445 1.00 0.00 O ATOM 1535 CB ASP A 92 -0.344 -2.148 -14.631 1.00 0.00 C ATOM 1536 CG ASP A 92 -1.491 -1.170 -14.487 1.00 0.00 C ATOM 1537 OD1 ASP A 92 -2.549 -1.565 -13.961 1.00 0.00 O ATOM 1538 OD2 ASP A 92 -1.337 -0.001 -14.908 1.00 0.00 O ATOM 0 H ASP A 92 -1.688 -4.228 -15.620 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.197 -1.948 -16.771 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.460 -2.949 -13.901 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.593 -1.641 -14.400 1.00 0.00 H new ATOM 1543 N ASP A 93 2.143 -2.981 -15.971 1.00 0.00 N ATOM 1544 CA ASP A 93 3.420 -3.687 -15.965 1.00 0.00 C ATOM 1545 C ASP A 93 3.689 -4.232 -14.564 1.00 0.00 C ATOM 1546 O ASP A 93 2.913 -3.982 -13.646 1.00 0.00 O ATOM 1547 CB ASP A 93 4.540 -2.724 -16.396 1.00 0.00 C ATOM 1548 CG ASP A 93 5.880 -3.404 -16.617 1.00 0.00 C ATOM 1549 OD1 ASP A 93 6.137 -3.864 -17.747 1.00 0.00 O ATOM 1550 OD2 ASP A 93 6.688 -3.461 -15.672 1.00 0.00 O ATOM 0 H ASP A 93 2.221 -1.976 -15.816 1.00 0.00 H new ATOM 0 HA ASP A 93 3.388 -4.521 -16.666 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.241 -2.222 -17.316 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.656 -1.952 -15.635 1.00 0.00 H new ATOM 1555 N ASP A 94 4.765 -4.991 -14.398 1.00 0.00 N ATOM 1556 CA ASP A 94 5.182 -5.426 -13.071 1.00 0.00 C ATOM 1557 C ASP A 94 5.656 -4.216 -12.281 1.00 0.00 C ATOM 1558 O ASP A 94 5.475 -4.132 -11.063 1.00 0.00 O ATOM 1559 CB ASP A 94 6.300 -6.466 -13.164 1.00 0.00 C ATOM 1560 CG ASP A 94 6.770 -6.939 -11.802 1.00 0.00 C ATOM 1561 OD1 ASP A 94 7.848 -6.496 -11.350 1.00 0.00 O ATOM 1562 OD2 ASP A 94 6.067 -7.765 -11.182 1.00 0.00 O ATOM 0 H ASP A 94 5.361 -5.316 -15.159 1.00 0.00 H new ATOM 0 HA ASP A 94 4.335 -5.890 -12.565 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.948 -7.322 -13.740 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.143 -6.040 -13.708 1.00 0.00 H new ATOM 1567 N GLY A 95 6.257 -3.277 -12.997 1.00 0.00 N ATOM 1568 CA GLY A 95 6.635 -2.014 -12.413 1.00 0.00 C ATOM 1569 C GLY A 95 5.507 -1.013 -12.521 1.00 0.00 C ATOM 1570 O GLY A 95 5.040 -0.715 -13.621 1.00 0.00 O ATOM 0 H GLY A 95 6.491 -3.374 -13.985 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.901 -2.158 -11.366 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.521 -1.626 -12.916 1.00 0.00 H new ATOM 1574 N TYR A 96 5.074 -0.486 -11.389 1.00 0.00 N ATOM 1575 CA TYR A 96 3.913 0.388 -11.360 1.00 0.00 C ATOM 1576 C TYR A 96 4.352 1.838 -11.407 1.00 0.00 C ATOM 1577 O TYR A 96 4.112 2.498 -12.434 1.00 0.00 O ATOM 1578 CB TYR A 96 3.058 0.140 -10.112 1.00 0.00 C ATOM 1579 CG TYR A 96 2.216 -1.123 -10.145 1.00 0.00 C ATOM 1580 CD1 TYR A 96 2.120 -1.913 -11.287 1.00 0.00 C ATOM 1581 CD2 TYR A 96 1.501 -1.516 -9.022 1.00 0.00 C ATOM 1582 CE1 TYR A 96 1.341 -3.054 -11.301 1.00 0.00 C ATOM 1583 CE2 TYR A 96 0.720 -2.655 -9.032 1.00 0.00 C ATOM 1584 CZ TYR A 96 0.644 -3.420 -10.173 1.00 0.00 C ATOM 1585 OH TYR A 96 -0.129 -4.559 -10.187 1.00 0.00 O ATOM 1586 OXT TYR A 96 4.962 2.300 -10.427 1.00 0.00 O ATOM 0 H TYR A 96 5.507 -0.647 -10.480 1.00 0.00 H new ATOM 0 HA TYR A 96 3.304 0.166 -12.236 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.715 0.096 -9.244 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.397 0.995 -9.969 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.663 -1.630 -12.176 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.556 -0.920 -8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.279 -3.657 -12.195 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.171 -2.944 -8.148 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.964 -4.394 -9.701 1.00 0.00 H new TER 1596 TYR A 96