USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 965 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 38 MET CE :methyl -179:sc=-0.000171 (180deg=0) USER MOD Set 1.2: A 54 TYR OH : rot -52:sc= 1.31 USER MOD Set 2.1: A 17 GLN :FLIP amide:sc= 0 F(o=-0.7,f=-0.014) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 1 MET CE :methyl -127:sc= -0.459 (180deg=-2.88!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -130:sc= 1.27 (180deg=-0.731) USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.16 F(o=-0.95,f=-0.16) USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= 1.14 (180deg=0.862) USER MOD Single : A 29 TYR OH : rot 30:sc= -1.51! USER MOD Single : A 35 ASN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 147:sc= 1.06 USER MOD Single : A 42 GLN : amide:sc= -0.198 K(o=-0.2,f=-2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 1:sc= 0.11 USER MOD Single : A 53 HIS : no HE2:sc= 0.628 K(o=0.63,f=-4.6!) USER MOD Single : A 55 SER OG : rot -110:sc= 1.41 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0335 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 76:sc= -0.136 USER MOD Single : A 63 ASN : amide:sc= -0.0824 K(o=-0.082,f=-1.9) USER MOD Single : A 66 GLN : amide:sc= 1.23 K(o=1.2,f=-0.14) USER MOD Single : A 67 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=-0.18) USER MOD Single : A 68 THR OG1 : rot -64:sc= 0.905 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 77 GLN : amide:sc=-0.00102 X(o=-0.001,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.864 K(o=-0.86,f=-1.8) USER MOD Single : A 85 SER OG : rot 38:sc= 1.04 USER MOD Single : A 89 LYS NZ :NH3+ 142:sc= 1.09 (180deg=0.293) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -0.0794 (180deg=-0.323) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -106:sc= -2.92! USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -168:sc= 0.705 (180deg=0.598) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.456 -11.940 2.443 1.00 16.25 N ATOM 2 CA MET A 1 21.433 -10.460 2.474 1.00 15.99 C ATOM 3 C MET A 1 22.491 -9.940 3.438 1.00 15.41 C ATOM 4 O MET A 1 22.347 -10.073 4.655 1.00 15.45 O ATOM 5 CB MET A 1 20.039 -9.997 2.897 1.00 16.51 C ATOM 6 CG MET A 1 19.839 -8.488 2.843 1.00 16.79 C ATOM 7 SD MET A 1 18.178 -7.975 3.331 1.00 17.24 S ATOM 8 CE MET A 1 18.262 -6.197 3.050 1.00 17.83 C ATOM 0 H1 MET A 1 20.731 -12.285 1.782 1.00 16.25 H new ATOM 0 H2 MET A 1 22.393 -12.266 2.130 1.00 16.25 H new ATOM 0 H3 MET A 1 21.261 -12.310 3.395 1.00 16.25 H new ATOM 0 HA MET A 1 21.658 -10.064 1.484 1.00 15.99 H new ATOM 0 HB2 MET A 1 19.299 -10.473 2.254 1.00 16.51 H new ATOM 0 HB3 MET A 1 19.847 -10.342 3.913 1.00 16.51 H new ATOM 0 HG2 MET A 1 20.568 -8.007 3.496 1.00 16.79 H new ATOM 0 HG3 MET A 1 20.038 -8.137 1.830 1.00 16.79 H new ATOM 0 HE1 MET A 1 17.953 -5.671 3.953 1.00 17.83 H new ATOM 0 HE2 MET A 1 19.285 -5.916 2.798 1.00 17.83 H new ATOM 0 HE3 MET A 1 17.599 -5.927 2.228 1.00 17.83 H new ATOM 20 N GLY A 2 23.550 -9.342 2.890 1.00 15.02 N ATOM 21 CA GLY A 2 24.607 -8.821 3.728 1.00 14.60 C ATOM 22 C GLY A 2 24.146 -7.600 4.496 1.00 13.81 C ATOM 23 O GLY A 2 23.775 -7.703 5.673 1.00 13.66 O ATOM 0 H GLY A 2 23.689 -9.212 1.888 1.00 15.02 H new ATOM 0 HA2 GLY A 2 24.934 -9.591 4.427 1.00 14.60 H new ATOM 0 HA3 GLY A 2 25.469 -8.563 3.112 1.00 14.60 H new ATOM 27 N ASP A 3 24.150 -6.450 3.830 1.00 13.48 N ATOM 28 CA ASP A 3 23.704 -5.215 4.462 1.00 12.89 C ATOM 29 C ASP A 3 22.202 -5.252 4.609 1.00 12.18 C ATOM 30 O ASP A 3 21.462 -5.217 3.621 1.00 12.23 O ATOM 31 CB ASP A 3 24.113 -3.971 3.666 1.00 13.20 C ATOM 32 CG ASP A 3 23.828 -2.680 4.418 1.00 13.55 C ATOM 33 OD1 ASP A 3 23.334 -2.745 5.561 1.00 13.59 O ATOM 34 OD2 ASP A 3 24.108 -1.593 3.868 1.00 13.96 O ATOM 0 H ASP A 3 24.454 -6.348 2.862 1.00 13.48 H new ATOM 0 HA ASP A 3 24.185 -5.146 5.438 1.00 12.89 H new ATOM 0 HB2 ASP A 3 25.177 -4.025 3.434 1.00 13.20 H new ATOM 0 HB3 ASP A 3 23.579 -3.960 2.716 1.00 13.20 H new ATOM 39 N THR A 4 21.756 -5.352 5.843 1.00 11.73 N ATOM 40 CA THR A 4 20.340 -5.420 6.144 1.00 11.23 C ATOM 41 C THR A 4 19.899 -4.129 6.814 1.00 10.51 C ATOM 42 O THR A 4 18.719 -3.940 7.122 1.00 10.53 O ATOM 43 CB THR A 4 20.093 -6.629 7.049 1.00 11.64 C ATOM 44 OG1 THR A 4 20.919 -7.718 6.663 1.00 12.39 O ATOM 45 CG2 THR A 4 18.671 -7.132 7.024 1.00 11.87 C ATOM 0 H THR A 4 22.361 -5.388 6.663 1.00 11.73 H new ATOM 0 HA THR A 4 19.758 -5.538 5.230 1.00 11.23 H new ATOM 0 HB THR A 4 20.321 -6.275 8.054 1.00 11.64 H new ATOM 0 HG1 THR A 4 20.750 -8.482 7.253 1.00 12.39 H new ATOM 0 HG21 THR A 4 18.577 -7.989 7.690 1.00 11.87 H new ATOM 0 HG22 THR A 4 17.999 -6.340 7.354 1.00 11.87 H new ATOM 0 HG23 THR A 4 18.408 -7.431 6.009 1.00 11.87 H new ATOM 53 N GLY A 5 20.859 -3.230 7.020 1.00 10.10 N ATOM 54 CA GLY A 5 20.562 -1.956 7.634 1.00 9.63 C ATOM 55 C GLY A 5 20.674 -0.803 6.647 1.00 9.04 C ATOM 56 O GLY A 5 21.057 0.312 7.010 1.00 9.05 O ATOM 0 H GLY A 5 21.838 -3.366 6.770 1.00 10.10 H new ATOM 0 HA2 GLY A 5 19.554 -1.981 8.049 1.00 9.63 H new ATOM 0 HA3 GLY A 5 21.245 -1.787 8.466 1.00 9.63 H new ATOM 60 N LYS A 6 20.318 -1.067 5.399 1.00 8.78 N ATOM 61 CA LYS A 6 20.361 -0.047 4.363 1.00 8.49 C ATOM 62 C LYS A 6 18.987 0.575 4.187 1.00 7.56 C ATOM 63 O LYS A 6 18.628 1.473 4.944 1.00 7.43 O ATOM 64 CB LYS A 6 20.845 -0.626 3.047 1.00 9.13 C ATOM 65 CG LYS A 6 21.207 0.427 2.004 1.00 9.99 C ATOM 66 CD LYS A 6 22.404 1.264 2.461 1.00 10.66 C ATOM 67 CE LYS A 6 22.700 2.409 1.494 1.00 11.46 C ATOM 68 NZ LYS A 6 21.697 3.512 1.601 1.00 11.90 N ATOM 0 H LYS A 6 19.996 -1.980 5.079 1.00 8.78 H new ATOM 0 HA LYS A 6 21.066 0.724 4.674 1.00 8.49 H new ATOM 0 HB2 LYS A 6 21.718 -1.251 3.236 1.00 9.13 H new ATOM 0 HB3 LYS A 6 20.070 -1.275 2.640 1.00 9.13 H new ATOM 0 HG2 LYS A 6 21.440 -0.059 1.057 1.00 9.99 H new ATOM 0 HG3 LYS A 6 20.351 1.077 1.827 1.00 9.99 H new ATOM 0 HD2 LYS A 6 22.206 1.669 3.454 1.00 10.66 H new ATOM 0 HD3 LYS A 6 23.283 0.625 2.547 1.00 10.66 H new ATOM 0 HE2 LYS A 6 23.695 2.805 1.696 1.00 11.46 H new ATOM 0 HE3 LYS A 6 22.710 2.027 0.473 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 21.346 3.755 0.653 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 20.902 3.202 2.195 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 22.144 4.348 2.029 1.00 11.90 H new ATOM 82 N LEU A 7 18.217 0.096 3.203 1.00 7.18 N ATOM 83 CA LEU A 7 16.889 0.624 2.958 1.00 6.55 C ATOM 84 C LEU A 7 15.950 -0.484 2.525 1.00 5.97 C ATOM 85 O LEU A 7 16.353 -1.644 2.400 1.00 6.20 O ATOM 86 CB LEU A 7 16.925 1.715 1.894 1.00 7.03 C ATOM 87 CG LEU A 7 17.618 3.019 2.304 1.00 7.64 C ATOM 88 CD1 LEU A 7 17.831 3.900 1.093 1.00 8.38 C ATOM 89 CD2 LEU A 7 16.775 3.742 3.342 1.00 7.67 C ATOM 0 H LEU A 7 18.498 -0.654 2.571 1.00 7.18 H new ATOM 0 HA LEU A 7 16.523 1.058 3.889 1.00 6.55 H new ATOM 0 HB2 LEU A 7 17.428 1.320 1.011 1.00 7.03 H new ATOM 0 HB3 LEU A 7 15.901 1.946 1.601 1.00 7.03 H new ATOM 0 HG LEU A 7 18.591 2.786 2.737 1.00 7.64 H new ATOM 0 HD11 LEU A 7 18.324 4.823 1.397 1.00 8.38 H new ATOM 0 HD12 LEU A 7 18.455 3.377 0.368 1.00 8.38 H new ATOM 0 HD13 LEU A 7 16.868 4.135 0.640 1.00 8.38 H new ATOM 0 HD21 LEU A 7 17.270 4.669 3.632 1.00 7.67 H new ATOM 0 HD22 LEU A 7 15.796 3.970 2.921 1.00 7.67 H new ATOM 0 HD23 LEU A 7 16.653 3.106 4.219 1.00 7.67 H new ATOM 101 N GLY A 8 14.698 -0.125 2.312 1.00 5.56 N ATOM 102 CA GLY A 8 13.695 -1.099 1.920 1.00 5.28 C ATOM 103 C GLY A 8 12.321 -0.627 2.357 1.00 4.37 C ATOM 104 O GLY A 8 11.605 0.006 1.595 1.00 4.43 O ATOM 0 H GLY A 8 14.351 0.830 2.403 1.00 5.56 H new ATOM 0 HA2 GLY A 8 13.714 -1.240 0.839 1.00 5.28 H new ATOM 0 HA3 GLY A 8 13.918 -2.066 2.371 1.00 5.28 H new ATOM 108 N ARG A 9 11.964 -0.895 3.597 1.00 3.85 N ATOM 109 CA ARG A 9 10.694 -0.433 4.130 1.00 3.14 C ATOM 110 C ARG A 9 10.868 0.973 4.683 1.00 2.98 C ATOM 111 O ARG A 9 11.886 1.273 5.321 1.00 3.23 O ATOM 112 CB ARG A 9 10.221 -1.369 5.231 1.00 2.97 C ATOM 113 CG ARG A 9 11.217 -1.497 6.358 1.00 3.11 C ATOM 114 CD ARG A 9 10.968 -2.755 7.183 1.00 3.35 C ATOM 115 NE ARG A 9 11.941 -2.897 8.268 1.00 3.78 N ATOM 116 CZ ARG A 9 13.247 -3.107 8.070 1.00 4.27 C ATOM 117 NH1 ARG A 9 13.769 -2.947 6.859 1.00 4.46 N ATOM 118 NH2 ARG A 9 14.056 -3.249 9.103 1.00 4.95 N ATOM 0 H ARG A 9 12.532 -1.429 4.255 1.00 3.85 H new ATOM 0 HA ARG A 9 9.947 -0.423 3.336 1.00 3.14 H new ATOM 0 HB2 ARG A 9 9.274 -1.005 5.629 1.00 2.97 H new ATOM 0 HB3 ARG A 9 10.031 -2.355 4.807 1.00 2.97 H new ATOM 0 HG2 ARG A 9 12.228 -1.522 5.951 1.00 3.11 H new ATOM 0 HG3 ARG A 9 11.154 -0.620 7.002 1.00 3.11 H new ATOM 0 HD2 ARG A 9 9.961 -2.723 7.600 1.00 3.35 H new ATOM 0 HD3 ARG A 9 11.017 -3.630 6.535 1.00 3.35 H new ATOM 0 HE ARG A 9 11.604 -2.832 9.229 1.00 3.78 H new ATOM 0 HH11 ARG A 9 13.174 -2.664 6.080 1.00 4.46 H new ATOM 0 HH12 ARG A 9 14.765 -3.107 6.708 1.00 4.46 H new ATOM 0 HH21 ARG A 9 13.685 -3.199 10.052 1.00 4.95 H new ATOM 0 HH22 ARG A 9 15.052 -3.409 8.952 1.00 4.95 H new ATOM 132 N ILE A 10 9.911 1.850 4.407 1.00 2.78 N ATOM 133 CA ILE A 10 9.979 3.220 4.881 1.00 2.70 C ATOM 134 C ILE A 10 8.636 3.709 5.457 1.00 2.20 C ATOM 135 O ILE A 10 8.602 4.277 6.549 1.00 2.49 O ATOM 136 CB ILE A 10 10.501 4.154 3.738 1.00 2.80 C ATOM 137 CG1 ILE A 10 10.780 5.588 4.228 1.00 2.80 C ATOM 138 CG2 ILE A 10 9.539 4.178 2.577 1.00 2.55 C ATOM 139 CD1 ILE A 10 9.564 6.517 4.252 1.00 3.25 C ATOM 0 H ILE A 10 9.080 1.634 3.857 1.00 2.78 H new ATOM 0 HA ILE A 10 10.688 3.256 5.708 1.00 2.70 H new ATOM 0 HB ILE A 10 11.450 3.734 3.404 1.00 2.80 H new ATOM 0 HG12 ILE A 10 11.198 5.536 5.234 1.00 2.80 H new ATOM 0 HG13 ILE A 10 11.543 6.031 3.588 1.00 2.80 H new ATOM 0 HG21 ILE A 10 9.926 4.834 1.797 1.00 2.55 H new ATOM 0 HG22 ILE A 10 9.424 3.170 2.179 1.00 2.55 H new ATOM 0 HG23 ILE A 10 8.571 4.547 2.914 1.00 2.55 H new ATOM 0 HD11 ILE A 10 9.865 7.501 4.611 1.00 3.25 H new ATOM 0 HD12 ILE A 10 9.155 6.608 3.246 1.00 3.25 H new ATOM 0 HD13 ILE A 10 8.804 6.105 4.916 1.00 3.25 H new ATOM 151 N ILE A 11 7.539 3.473 4.758 1.00 1.98 N ATOM 152 CA ILE A 11 6.234 3.910 5.237 1.00 1.56 C ATOM 153 C ILE A 11 5.555 2.802 6.052 1.00 1.31 C ATOM 154 O ILE A 11 5.794 2.712 7.254 1.00 1.71 O ATOM 155 CB ILE A 11 5.315 4.389 4.091 1.00 1.37 C ATOM 156 CG1 ILE A 11 6.078 5.343 3.158 1.00 1.94 C ATOM 157 CG2 ILE A 11 4.079 5.095 4.657 1.00 1.05 C ATOM 158 CD1 ILE A 11 5.297 5.742 1.927 1.00 2.05 C ATOM 0 H ILE A 11 7.523 2.985 3.863 1.00 1.98 H new ATOM 0 HA ILE A 11 6.405 4.768 5.887 1.00 1.56 H new ATOM 0 HB ILE A 11 4.994 3.517 3.521 1.00 1.37 H new ATOM 0 HG12 ILE A 11 6.348 6.241 3.713 1.00 1.94 H new ATOM 0 HG13 ILE A 11 7.009 4.867 2.849 1.00 1.94 H new ATOM 0 HG21 ILE A 11 3.442 5.426 3.837 1.00 1.05 H new ATOM 0 HG22 ILE A 11 3.524 4.404 5.291 1.00 1.05 H new ATOM 0 HG23 ILE A 11 4.391 5.958 5.246 1.00 1.05 H new ATOM 0 HD11 ILE A 11 5.899 6.415 1.317 1.00 2.05 H new ATOM 0 HD12 ILE A 11 5.050 4.852 1.349 1.00 2.05 H new ATOM 0 HD13 ILE A 11 4.379 6.247 2.227 1.00 2.05 H new ATOM 170 N ARG A 12 4.719 1.965 5.418 1.00 0.96 N ATOM 171 CA ARG A 12 4.017 0.882 6.132 1.00 1.02 C ATOM 172 C ARG A 12 3.764 -0.317 5.248 1.00 0.77 C ATOM 173 O ARG A 12 4.054 -0.292 4.057 1.00 0.91 O ATOM 174 CB ARG A 12 2.676 1.373 6.686 1.00 1.53 C ATOM 175 CG ARG A 12 2.817 2.151 7.973 1.00 2.10 C ATOM 176 CD ARG A 12 1.562 2.081 8.842 1.00 2.67 C ATOM 177 NE ARG A 12 1.322 0.736 9.357 1.00 3.29 N ATOM 178 CZ ARG A 12 0.407 0.456 10.279 1.00 3.98 C ATOM 179 NH1 ARG A 12 -0.116 1.437 11.000 1.00 4.30 N ATOM 180 NH2 ARG A 12 0.245 -0.796 10.681 1.00 4.72 N ATOM 0 H ARG A 12 4.512 2.015 4.420 1.00 0.96 H new ATOM 0 HA ARG A 12 4.672 0.580 6.949 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.189 2.001 5.940 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.024 0.516 6.856 1.00 1.53 H new ATOM 0 HG2 ARG A 12 3.666 1.764 8.536 1.00 2.10 H new ATOM 0 HG3 ARG A 12 3.036 3.193 7.741 1.00 2.10 H new ATOM 0 HD2 ARG A 12 1.661 2.775 9.676 1.00 2.67 H new ATOM 0 HD3 ARG A 12 0.700 2.404 8.259 1.00 2.67 H new ATOM 0 HE ARG A 12 1.887 -0.030 8.989 1.00 3.29 H new ATOM 0 HH11 ARG A 12 0.184 2.399 10.845 1.00 4.30 H new ATOM 0 HH12 ARG A 12 -0.819 1.230 11.710 1.00 4.30 H new ATOM 0 HH21 ARG A 12 0.821 -1.538 10.283 1.00 4.72 H new ATOM 0 HH22 ARG A 12 -0.456 -1.018 11.388 1.00 4.72 H new ATOM 194 N HIS A 13 3.208 -1.371 5.836 1.00 0.70 N ATOM 195 CA HIS A 13 2.907 -2.579 5.091 1.00 0.68 C ATOM 196 C HIS A 13 1.917 -3.462 5.849 1.00 0.74 C ATOM 197 O HIS A 13 2.233 -4.007 6.902 1.00 1.04 O ATOM 198 CB HIS A 13 4.200 -3.357 4.746 1.00 0.93 C ATOM 199 CG HIS A 13 5.080 -3.735 5.917 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.003 -3.429 7.235 1.00 1.69 N flip ATOM 201 CD2 HIS A 13 6.187 -4.549 5.789 1.00 1.46 C flip ATOM 202 CE1 HIS A 13 6.041 -4.061 7.864 1.00 1.98 C flip ATOM 203 NE2 HIS A 13 6.739 -4.726 6.968 1.00 1.80 N flip ATOM 0 H HIS A 13 2.959 -1.409 6.824 1.00 0.70 H new ATOM 0 HA HIS A 13 2.436 -2.284 4.153 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.921 -4.269 4.217 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.789 -2.755 4.054 1.00 0.93 H new ATOM 0 HD2 HIS A 13 6.544 -4.975 4.863 1.00 1.46 H new ATOM 0 HE1 HIS A 13 6.253 -4.021 8.922 1.00 1.98 H new ATOM 0 HE2 HIS A 13 7.570 -5.286 7.157 1.00 1.80 H new ATOM 212 N ASP A 14 0.719 -3.598 5.299 1.00 0.60 N ATOM 213 CA ASP A 14 -0.315 -4.427 5.916 1.00 0.69 C ATOM 214 C ASP A 14 -1.155 -5.116 4.856 1.00 0.61 C ATOM 215 O ASP A 14 -1.102 -4.755 3.678 1.00 0.86 O ATOM 216 CB ASP A 14 -1.211 -3.623 6.867 1.00 0.83 C ATOM 217 CG ASP A 14 -0.687 -3.624 8.289 1.00 1.31 C ATOM 218 OD1 ASP A 14 -0.651 -4.705 8.915 1.00 2.03 O ATOM 219 OD2 ASP A 14 -0.305 -2.545 8.789 1.00 1.78 O ATOM 0 H ASP A 14 0.436 -3.148 4.429 1.00 0.60 H new ATOM 0 HA ASP A 14 0.196 -5.184 6.511 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.286 -2.596 6.510 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.218 -4.040 6.853 1.00 0.83 H new ATOM 224 N ALA A 15 -1.915 -6.123 5.275 1.00 0.75 N ATOM 225 CA ALA A 15 -2.740 -6.871 4.354 1.00 0.71 C ATOM 226 C ALA A 15 -4.202 -6.447 4.416 1.00 0.68 C ATOM 227 O ALA A 15 -4.807 -6.407 5.493 1.00 0.88 O ATOM 228 CB ALA A 15 -2.624 -8.362 4.644 1.00 0.84 C ATOM 0 H ALA A 15 -1.972 -6.433 6.245 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.378 -6.659 3.348 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.249 -8.918 3.945 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.586 -8.675 4.531 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -2.954 -8.561 5.664 1.00 0.84 H new ATOM 234 N PHE A 16 -4.774 -6.156 3.250 1.00 0.60 N ATOM 235 CA PHE A 16 -6.178 -5.770 3.151 1.00 0.67 C ATOM 236 C PHE A 16 -6.893 -6.696 2.169 1.00 0.68 C ATOM 237 O PHE A 16 -6.321 -7.107 1.165 1.00 1.00 O ATOM 238 CB PHE A 16 -6.341 -4.306 2.674 1.00 0.77 C ATOM 239 CG PHE A 16 -5.854 -3.260 3.643 1.00 1.09 C ATOM 240 CD1 PHE A 16 -4.507 -3.048 3.878 1.00 1.83 C ATOM 241 CD2 PHE A 16 -6.772 -2.512 4.339 1.00 1.74 C ATOM 242 CE1 PHE A 16 -4.095 -2.098 4.792 1.00 2.36 C ATOM 243 CE2 PHE A 16 -6.378 -1.550 5.247 1.00 2.26 C ATOM 244 CZ PHE A 16 -5.030 -1.343 5.479 1.00 2.35 C ATOM 0 H PHE A 16 -4.283 -6.181 2.356 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.616 -5.854 4.146 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.805 -4.185 1.733 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.395 -4.123 2.466 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -3.772 -3.630 3.342 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -7.826 -2.680 4.172 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -3.041 -1.944 4.971 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -7.117 -0.963 5.773 1.00 2.26 H new ATOM 0 HZ PHE A 16 -4.709 -0.597 6.191 1.00 2.35 H new ATOM 254 N GLN A 17 -8.140 -7.021 2.462 1.00 0.59 N ATOM 255 CA GLN A 17 -8.938 -7.877 1.590 1.00 0.60 C ATOM 256 C GLN A 17 -10.217 -7.156 1.250 1.00 0.64 C ATOM 257 O GLN A 17 -11.271 -7.391 1.850 1.00 0.95 O ATOM 258 CB GLN A 17 -9.200 -9.221 2.270 1.00 0.74 C ATOM 259 CG GLN A 17 -9.972 -10.216 1.421 1.00 1.07 C ATOM 260 CD GLN A 17 -9.995 -11.596 2.049 1.00 1.26 C ATOM 261 OE1 GLN A 17 -9.390 -12.556 1.373 1.00 1.81 O flip ATOM 262 NE2 GLN A 17 -10.541 -11.795 3.137 1.00 1.63 N flip ATOM 0 H GLN A 17 -8.627 -6.705 3.301 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.402 -8.088 0.665 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.245 -9.665 2.549 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -9.752 -9.045 3.193 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -10.994 -9.862 1.285 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -9.521 -10.275 0.430 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.997 -11.026 3.627 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -10.536 -12.729 3.547 1.00 1.63 H new ATOM 271 N VAL A 18 -10.080 -6.225 0.319 1.00 0.51 N ATOM 272 CA VAL A 18 -11.175 -5.378 -0.096 1.00 0.59 C ATOM 273 C VAL A 18 -11.235 -5.169 -1.596 1.00 0.60 C ATOM 274 O VAL A 18 -10.278 -5.442 -2.328 1.00 1.04 O ATOM 275 CB VAL A 18 -11.063 -4.028 0.595 1.00 0.83 C ATOM 276 CG1 VAL A 18 -11.680 -4.109 1.968 1.00 1.24 C ATOM 277 CG2 VAL A 18 -9.615 -3.585 0.655 1.00 0.84 C ATOM 0 H VAL A 18 -9.203 -6.039 -0.168 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.094 -5.888 0.192 1.00 0.59 H new ATOM 0 HB VAL A 18 -11.609 -3.278 0.022 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -11.599 -3.140 2.461 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -12.731 -4.384 1.879 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -11.157 -4.862 2.558 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -9.551 -2.617 1.152 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -9.033 -4.319 1.213 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -9.218 -3.500 -0.357 1.00 0.84 H new ATOM 287 N TRP A 19 -12.410 -4.749 -2.030 1.00 0.63 N ATOM 288 CA TRP A 19 -12.735 -4.525 -3.423 1.00 0.65 C ATOM 289 C TRP A 19 -11.659 -3.758 -4.182 1.00 0.68 C ATOM 290 O TRP A 19 -11.219 -2.683 -3.768 1.00 1.04 O ATOM 291 CB TRP A 19 -14.071 -3.803 -3.486 1.00 0.72 C ATOM 292 CG TRP A 19 -15.121 -4.456 -2.632 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.927 -5.498 -2.974 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.435 -4.140 -1.265 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.759 -5.817 -1.919 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.477 -4.993 -0.865 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.950 -3.208 -0.360 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -17.042 -4.936 0.399 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.508 -3.161 0.913 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.551 -4.017 1.277 1.00 0.96 C ATOM 0 H TRP A 19 -13.187 -4.549 -1.401 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.796 -5.493 -3.920 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.937 -2.770 -3.165 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.415 -3.773 -4.520 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.917 -6.001 -3.930 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.469 -6.549 -1.925 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -14.155 -2.532 -0.638 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.847 -5.599 0.680 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -15.129 -2.451 1.633 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.974 -3.949 2.268 1.00 0.96 H new ATOM 311 N GLU A 20 -11.255 -4.334 -5.316 1.00 0.69 N ATOM 312 CA GLU A 20 -10.230 -3.750 -6.171 1.00 0.77 C ATOM 313 C GLU A 20 -10.863 -2.770 -7.146 1.00 1.18 C ATOM 314 O GLU A 20 -10.380 -2.538 -8.259 1.00 1.81 O ATOM 315 CB GLU A 20 -9.484 -4.850 -6.902 1.00 1.04 C ATOM 316 CG GLU A 20 -8.178 -4.395 -7.512 1.00 1.26 C ATOM 317 CD GLU A 20 -7.272 -5.548 -7.825 1.00 1.90 C ATOM 318 OE1 GLU A 20 -7.612 -6.356 -8.701 1.00 2.42 O ATOM 319 OE2 GLU A 20 -6.219 -5.664 -7.165 1.00 2.62 O ATOM 0 H GLU A 20 -11.631 -5.216 -5.663 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.514 -3.201 -5.559 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -9.286 -5.666 -6.207 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -10.123 -5.249 -7.689 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -8.380 -3.835 -8.425 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.675 -3.715 -6.825 1.00 1.26 H new ATOM 326 N GLY A 21 -11.978 -2.242 -6.714 1.00 1.49 N ATOM 327 CA GLY A 21 -12.756 -1.311 -7.500 1.00 1.95 C ATOM 328 C GLY A 21 -14.198 -1.737 -7.461 1.00 2.05 C ATOM 329 O GLY A 21 -14.676 -2.205 -6.423 1.00 2.48 O ATOM 0 H GLY A 21 -12.378 -2.446 -5.798 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -12.649 -0.301 -7.105 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -12.395 -1.291 -8.528 1.00 1.95 H new ATOM 333 N ASP A 22 -14.876 -1.673 -8.594 1.00 2.34 N ATOM 334 CA ASP A 22 -16.252 -2.137 -8.661 1.00 2.75 C ATOM 335 C ASP A 22 -16.251 -3.622 -9.022 1.00 2.43 C ATOM 336 O ASP A 22 -17.252 -4.170 -9.480 1.00 2.85 O ATOM 337 CB ASP A 22 -17.085 -1.337 -9.668 1.00 3.62 C ATOM 338 CG ASP A 22 -17.521 0.011 -9.126 1.00 4.19 C ATOM 339 OD1 ASP A 22 -18.232 0.043 -8.096 1.00 4.65 O ATOM 340 OD2 ASP A 22 -17.171 1.048 -9.729 1.00 4.60 O ATOM 0 H ASP A 22 -14.502 -1.309 -9.471 1.00 2.34 H new ATOM 0 HA ASP A 22 -16.716 -1.987 -7.686 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -16.503 -1.188 -10.577 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -17.967 -1.915 -9.945 1.00 3.62 H new ATOM 345 N GLU A 23 -15.110 -4.253 -8.797 1.00 2.07 N ATOM 346 CA GLU A 23 -14.901 -5.669 -9.062 1.00 2.37 C ATOM 347 C GLU A 23 -14.808 -6.416 -7.735 1.00 1.70 C ATOM 348 O GLU A 23 -14.675 -5.784 -6.690 1.00 1.86 O ATOM 349 CB GLU A 23 -13.600 -5.851 -9.867 1.00 3.34 C ATOM 350 CG GLU A 23 -13.546 -5.052 -11.158 1.00 4.22 C ATOM 351 CD GLU A 23 -12.177 -5.134 -11.826 1.00 5.12 C ATOM 352 OE1 GLU A 23 -11.239 -5.689 -11.218 1.00 5.52 O ATOM 353 OE2 GLU A 23 -12.019 -4.631 -12.968 1.00 5.78 O ATOM 0 H GLU A 23 -14.286 -3.787 -8.417 1.00 2.07 H new ATOM 0 HA GLU A 23 -15.734 -6.068 -9.641 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -12.756 -5.564 -9.240 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -13.477 -6.908 -10.102 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -14.307 -5.422 -11.845 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -13.785 -4.009 -10.949 1.00 4.22 H new ATOM 360 N PRO A 24 -14.894 -7.763 -7.763 1.00 1.42 N ATOM 361 CA PRO A 24 -14.822 -8.597 -6.542 1.00 1.17 C ATOM 362 C PRO A 24 -13.686 -8.180 -5.585 1.00 0.97 C ATOM 363 O PRO A 24 -12.608 -7.754 -6.017 1.00 1.08 O ATOM 364 CB PRO A 24 -14.530 -9.992 -7.092 1.00 1.65 C ATOM 365 CG PRO A 24 -15.153 -10.001 -8.457 1.00 2.09 C ATOM 366 CD PRO A 24 -15.082 -8.585 -8.988 1.00 2.00 C ATOM 0 HA PRO A 24 -15.736 -8.514 -5.955 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -13.458 -10.180 -7.145 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -14.959 -10.766 -6.456 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -14.623 -10.687 -9.118 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -16.187 -10.342 -8.406 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -14.255 -8.459 -9.686 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -15.993 -8.310 -9.520 1.00 2.00 H new ATOM 374 N PRO A 25 -13.911 -8.346 -4.261 1.00 0.88 N ATOM 375 CA PRO A 25 -12.910 -8.035 -3.242 1.00 0.77 C ATOM 376 C PRO A 25 -11.735 -8.997 -3.338 1.00 0.74 C ATOM 377 O PRO A 25 -11.896 -10.160 -3.701 1.00 0.92 O ATOM 378 CB PRO A 25 -13.667 -8.197 -1.931 1.00 0.92 C ATOM 379 CG PRO A 25 -14.761 -9.167 -2.244 1.00 1.08 C ATOM 380 CD PRO A 25 -15.158 -8.894 -3.664 1.00 1.09 C ATOM 0 HA PRO A 25 -12.481 -7.039 -3.348 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.017 -8.574 -1.142 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.069 -7.245 -1.585 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -14.418 -10.195 -2.125 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.607 -9.033 -1.569 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.484 -9.801 -4.173 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.981 -8.181 -3.723 1.00 1.09 H new ATOM 388 N LYS A 26 -10.541 -8.507 -3.067 1.00 0.65 N ATOM 389 CA LYS A 26 -9.357 -9.351 -3.197 1.00 0.73 C ATOM 390 C LYS A 26 -8.291 -9.005 -2.171 1.00 0.66 C ATOM 391 O LYS A 26 -8.121 -7.839 -1.811 1.00 0.88 O ATOM 392 CB LYS A 26 -8.770 -9.168 -4.605 1.00 0.95 C ATOM 393 CG LYS A 26 -7.658 -10.121 -4.986 1.00 1.34 C ATOM 394 CD LYS A 26 -6.993 -9.676 -6.284 1.00 1.42 C ATOM 395 CE LYS A 26 -7.950 -9.658 -7.471 1.00 1.61 C ATOM 396 NZ LYS A 26 -7.389 -8.932 -8.633 1.00 2.20 N ATOM 0 H LYS A 26 -10.360 -7.551 -2.762 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.661 -10.384 -3.027 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -9.577 -9.273 -5.330 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.394 -8.148 -4.691 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -6.918 -10.163 -4.187 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -8.058 -11.128 -5.103 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -6.574 -8.679 -6.147 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -6.161 -10.344 -6.506 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -8.183 -10.682 -7.763 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -8.888 -9.191 -7.172 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -7.781 -9.327 -9.512 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -7.638 -7.924 -8.566 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -6.354 -9.033 -8.639 1.00 2.20 H new ATOM 410 N LEU A 27 -7.568 -10.026 -1.712 1.00 0.67 N ATOM 411 CA LEU A 27 -6.484 -9.839 -0.750 1.00 0.65 C ATOM 412 C LEU A 27 -5.315 -9.150 -1.415 1.00 0.67 C ATOM 413 O LEU A 27 -4.826 -9.604 -2.448 1.00 1.02 O ATOM 414 CB LEU A 27 -6.021 -11.191 -0.172 1.00 0.76 C ATOM 415 CG LEU A 27 -4.774 -11.130 0.723 1.00 0.93 C ATOM 416 CD1 LEU A 27 -4.986 -10.219 1.926 1.00 1.31 C ATOM 417 CD2 LEU A 27 -4.362 -12.522 1.182 1.00 1.23 C ATOM 0 H LEU A 27 -7.715 -10.995 -1.993 1.00 0.67 H new ATOM 0 HA LEU A 27 -6.858 -9.220 0.065 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -6.841 -11.621 0.404 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -5.821 -11.872 -0.999 1.00 0.76 H new ATOM 0 HG LEU A 27 -3.969 -10.708 0.121 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -4.081 -10.203 2.534 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -5.211 -9.209 1.583 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -5.818 -10.593 2.523 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -3.477 -12.450 1.814 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -5.176 -12.974 1.748 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -4.138 -13.140 0.313 1.00 1.23 H new ATOM 429 N ARG A 28 -4.869 -8.066 -0.813 1.00 0.57 N ATOM 430 CA ARG A 28 -3.751 -7.307 -1.313 1.00 0.59 C ATOM 431 C ARG A 28 -2.841 -6.865 -0.167 1.00 0.55 C ATOM 432 O ARG A 28 -3.288 -6.228 0.791 1.00 0.64 O ATOM 433 CB ARG A 28 -4.215 -6.064 -2.074 1.00 0.71 C ATOM 434 CG ARG A 28 -4.358 -6.287 -3.567 1.00 1.41 C ATOM 435 CD ARG A 28 -5.691 -6.918 -3.935 1.00 1.72 C ATOM 436 NE ARG A 28 -6.821 -6.127 -3.458 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.090 -4.892 -3.894 1.00 2.42 C ATOM 438 NH1 ARG A 28 -6.372 -4.347 -4.877 1.00 2.77 N ATOM 439 NH2 ARG A 28 -8.124 -4.226 -3.399 1.00 3.18 N ATOM 0 H ARG A 28 -5.278 -7.688 0.042 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.202 -7.959 -1.992 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -5.173 -5.737 -1.670 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.504 -5.256 -1.902 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -4.255 -5.334 -4.085 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -3.548 -6.928 -3.915 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -5.755 -7.025 -5.018 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -5.746 -7.921 -3.512 1.00 1.72 H new ATOM 0 HE ARG A 28 -7.437 -6.537 -2.756 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -5.609 -4.873 -5.304 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -6.586 -3.404 -5.202 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -8.713 -4.656 -2.686 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -8.330 -3.284 -3.731 1.00 3.18 H new ATOM 453 N TYR A 29 -1.570 -7.156 -0.303 1.00 0.55 N ATOM 454 CA TYR A 29 -0.580 -6.752 0.676 1.00 0.59 C ATOM 455 C TYR A 29 -0.146 -5.332 0.367 1.00 0.55 C ATOM 456 O TYR A 29 0.809 -5.113 -0.374 1.00 0.70 O ATOM 457 CB TYR A 29 0.607 -7.696 0.628 1.00 0.71 C ATOM 458 CG TYR A 29 0.298 -9.084 1.142 1.00 0.77 C ATOM 459 CD1 TYR A 29 0.004 -9.299 2.479 1.00 1.38 C ATOM 460 CD2 TYR A 29 0.322 -10.181 0.294 1.00 1.46 C ATOM 461 CE1 TYR A 29 -0.265 -10.567 2.966 1.00 1.55 C ATOM 462 CE2 TYR A 29 0.049 -11.458 0.769 1.00 1.63 C ATOM 463 CZ TYR A 29 -0.237 -11.645 2.105 1.00 1.26 C ATOM 464 OH TYR A 29 -0.496 -12.909 2.573 1.00 1.58 O ATOM 0 H TYR A 29 -1.189 -7.678 -1.092 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.005 -6.791 1.679 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.961 -7.769 -0.400 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.421 -7.273 1.216 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -0.016 -8.458 3.157 1.00 1.38 H new ATOM 0 HD2 TYR A 29 0.556 -10.041 -0.751 1.00 1.46 H new ATOM 0 HE1 TYR A 29 -0.495 -10.711 4.011 1.00 1.55 H new ATOM 0 HE2 TYR A 29 0.061 -12.301 0.094 1.00 1.63 H new ATOM 0 HH TYR A 29 -1.113 -12.857 3.333 1.00 1.58 H new ATOM 474 N VAL A 30 -0.876 -4.378 0.924 1.00 0.48 N ATOM 475 CA VAL A 30 -0.607 -2.967 0.707 1.00 0.48 C ATOM 476 C VAL A 30 0.666 -2.532 1.434 1.00 0.49 C ATOM 477 O VAL A 30 0.639 -2.151 2.604 1.00 0.59 O ATOM 478 CB VAL A 30 -1.803 -2.109 1.159 1.00 0.54 C ATOM 479 CG1 VAL A 30 -1.564 -0.639 0.864 1.00 0.60 C ATOM 480 CG2 VAL A 30 -3.109 -2.589 0.517 1.00 0.65 C ATOM 0 H VAL A 30 -1.670 -4.561 1.538 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.456 -2.816 -0.362 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.900 -2.225 2.238 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -2.425 -0.057 1.194 1.00 0.60 H new ATOM 0 HG12 VAL A 30 -0.673 -0.302 1.394 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -1.422 -0.501 -0.208 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.933 -1.962 0.857 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -3.027 -2.523 -0.568 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -3.297 -3.623 0.805 1.00 0.65 H new ATOM 490 N PHE A 31 1.778 -2.612 0.717 1.00 0.49 N ATOM 491 CA PHE A 31 3.095 -2.236 1.245 1.00 0.54 C ATOM 492 C PHE A 31 3.530 -0.925 0.601 1.00 0.52 C ATOM 493 O PHE A 31 3.690 -0.866 -0.610 1.00 0.56 O ATOM 494 CB PHE A 31 4.152 -3.317 0.934 1.00 0.61 C ATOM 495 CG PHE A 31 3.925 -4.662 1.578 1.00 0.61 C ATOM 496 CD1 PHE A 31 2.787 -4.929 2.325 1.00 1.44 C ATOM 497 CD2 PHE A 31 4.853 -5.675 1.405 1.00 1.22 C ATOM 498 CE1 PHE A 31 2.602 -6.153 2.924 1.00 1.49 C ATOM 499 CE2 PHE A 31 4.661 -6.912 2.007 1.00 1.30 C ATOM 500 CZ PHE A 31 3.530 -7.144 2.758 1.00 0.85 C ATOM 0 H PHE A 31 1.799 -2.939 -0.249 1.00 0.49 H new ATOM 0 HA PHE A 31 3.015 -2.130 2.327 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.196 -3.455 -0.146 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.128 -2.945 1.247 1.00 0.61 H new ATOM 0 HD1 PHE A 31 2.034 -4.163 2.438 1.00 1.44 H new ATOM 0 HD2 PHE A 31 5.730 -5.503 0.799 1.00 1.22 H new ATOM 0 HE1 PHE A 31 1.723 -6.332 3.526 1.00 1.49 H new ATOM 0 HE2 PHE A 31 5.398 -7.692 1.886 1.00 1.30 H new ATOM 0 HZ PHE A 31 3.376 -8.110 3.216 1.00 0.85 H new ATOM 510 N LEU A 32 3.726 0.119 1.380 1.00 0.57 N ATOM 511 CA LEU A 32 4.127 1.388 0.794 1.00 0.59 C ATOM 512 C LEU A 32 5.615 1.638 1.007 1.00 0.67 C ATOM 513 O LEU A 32 6.114 1.526 2.128 1.00 0.84 O ATOM 514 CB LEU A 32 3.338 2.564 1.375 1.00 0.74 C ATOM 515 CG LEU A 32 2.019 2.232 2.095 1.00 0.98 C ATOM 516 CD1 LEU A 32 1.465 3.477 2.790 1.00 1.10 C ATOM 517 CD2 LEU A 32 0.978 1.715 1.121 1.00 1.43 C ATOM 0 H LEU A 32 3.619 0.120 2.394 1.00 0.57 H new ATOM 0 HA LEU A 32 3.913 1.319 -0.273 1.00 0.59 H new ATOM 0 HB2 LEU A 32 3.984 3.092 2.077 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.116 3.257 0.564 1.00 0.74 H new ATOM 0 HG LEU A 32 2.234 1.458 2.832 1.00 0.98 H new ATOM 0 HD11 LEU A 32 0.532 3.227 3.295 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.188 3.838 3.521 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.280 4.255 2.049 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.057 1.489 1.659 1.00 1.43 H new ATOM 0 HD22 LEU A 32 0.779 2.474 0.364 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.348 0.810 0.639 1.00 1.43 H new ATOM 529 N PHE A 33 6.316 1.974 -0.061 1.00 0.75 N ATOM 530 CA PHE A 33 7.748 2.224 0.035 1.00 0.96 C ATOM 531 C PHE A 33 8.125 3.611 -0.479 1.00 1.08 C ATOM 532 O PHE A 33 7.271 4.478 -0.644 1.00 1.56 O ATOM 533 CB PHE A 33 8.541 1.136 -0.702 1.00 1.17 C ATOM 534 CG PHE A 33 8.248 -0.244 -0.203 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.525 -0.583 1.105 1.00 1.79 C ATOM 536 CD2 PHE A 33 7.710 -1.209 -1.046 1.00 2.01 C ATOM 537 CE1 PHE A 33 8.251 -1.844 1.573 1.00 2.06 C ATOM 538 CE2 PHE A 33 7.433 -2.484 -0.571 1.00 2.28 C ATOM 539 CZ PHE A 33 7.718 -2.802 0.732 1.00 2.01 C ATOM 0 H PHE A 33 5.925 2.080 -0.997 1.00 0.75 H new ATOM 0 HA PHE A 33 8.011 2.190 1.092 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.313 1.187 -1.767 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.607 1.336 -0.594 1.00 1.17 H new ATOM 0 HD1 PHE A 33 8.961 0.150 1.767 1.00 1.79 H new ATOM 0 HD2 PHE A 33 7.506 -0.965 -2.078 1.00 2.01 H new ATOM 0 HE1 PHE A 33 8.453 -2.089 2.605 1.00 2.06 H new ATOM 0 HE2 PHE A 33 6.995 -3.223 -1.226 1.00 2.28 H new ATOM 0 HZ PHE A 33 7.526 -3.799 1.100 1.00 2.01 H new ATOM 549 N ARG A 34 9.429 3.812 -0.681 1.00 1.04 N ATOM 550 CA ARG A 34 9.967 5.094 -1.120 1.00 1.17 C ATOM 551 C ARG A 34 9.691 5.386 -2.583 1.00 1.03 C ATOM 552 O ARG A 34 9.198 6.472 -2.910 1.00 1.87 O ATOM 553 CB ARG A 34 11.475 5.154 -0.869 1.00 1.83 C ATOM 554 CG ARG A 34 12.154 6.433 -1.318 1.00 2.51 C ATOM 555 CD ARG A 34 13.650 6.339 -1.092 1.00 3.05 C ATOM 556 NE ARG A 34 14.325 7.605 -1.359 1.00 3.66 N ATOM 557 CZ ARG A 34 15.614 7.838 -1.102 1.00 4.29 C ATOM 558 NH1 ARG A 34 16.427 6.830 -0.790 1.00 4.48 N ATOM 559 NH2 ARG A 34 16.116 9.037 -1.347 1.00 5.12 N ATOM 0 H ARG A 34 10.137 3.091 -0.544 1.00 1.04 H new ATOM 0 HA ARG A 34 9.455 5.856 -0.532 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.655 5.021 0.198 1.00 1.83 H new ATOM 0 HB3 ARG A 34 11.946 4.313 -1.379 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.949 6.611 -2.374 1.00 2.51 H new ATOM 0 HG3 ARG A 34 11.748 7.281 -0.767 1.00 2.51 H new ATOM 0 HD2 ARG A 34 13.843 6.036 -0.063 1.00 3.05 H new ATOM 0 HD3 ARG A 34 14.066 5.564 -1.736 1.00 3.05 H new ATOM 0 HE ARG A 34 13.776 8.361 -1.769 1.00 3.66 H new ATOM 0 HH11 ARG A 34 16.065 5.877 -0.747 1.00 4.48 H new ATOM 0 HH12 ARG A 34 17.412 7.011 -0.594 1.00 4.48 H new ATOM 0 HH21 ARG A 34 15.520 9.771 -1.728 1.00 5.12 H new ATOM 0 HH22 ARG A 34 17.100 9.227 -1.155 1.00 5.12 H new ATOM 573 N ASN A 35 10.028 4.448 -3.459 1.00 0.98 N ATOM 574 CA ASN A 35 9.828 4.657 -4.889 1.00 1.38 C ATOM 575 C ASN A 35 8.341 4.601 -5.231 1.00 1.09 C ATOM 576 O ASN A 35 7.825 5.447 -5.964 1.00 1.24 O ATOM 577 CB ASN A 35 10.603 3.604 -5.697 1.00 2.08 C ATOM 578 CG ASN A 35 10.509 3.827 -7.200 1.00 2.84 C ATOM 579 OD1 ASN A 35 10.912 4.875 -7.710 1.00 3.26 O ATOM 580 ND2 ASN A 35 9.997 2.844 -7.920 1.00 3.64 N ATOM 0 H ASN A 35 10.436 3.547 -3.210 1.00 0.98 H new ATOM 0 HA ASN A 35 10.208 5.644 -5.152 1.00 1.38 H new ATOM 0 HB2 ASN A 35 11.651 3.621 -5.397 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.218 2.613 -5.457 1.00 2.08 H new ATOM 0 HD21 ASN A 35 9.925 2.938 -8.933 1.00 3.64 H new ATOM 0 HD22 ASN A 35 9.674 1.991 -7.463 1.00 3.64 H new ATOM 587 N LYS A 36 7.645 3.592 -4.702 1.00 0.89 N ATOM 588 CA LYS A 36 6.221 3.429 -4.960 1.00 0.69 C ATOM 589 C LYS A 36 5.604 2.428 -3.990 1.00 0.66 C ATOM 590 O LYS A 36 6.297 1.842 -3.164 1.00 0.77 O ATOM 591 CB LYS A 36 5.987 2.964 -6.403 1.00 0.80 C ATOM 592 CG LYS A 36 6.694 1.684 -6.792 1.00 1.05 C ATOM 593 CD LYS A 36 6.405 1.352 -8.250 1.00 1.32 C ATOM 594 CE LYS A 36 7.007 0.012 -8.641 1.00 1.84 C ATOM 595 NZ LYS A 36 6.762 -0.333 -10.069 1.00 2.23 N ATOM 0 H LYS A 36 8.048 2.879 -4.094 1.00 0.89 H new ATOM 0 HA LYS A 36 5.741 4.397 -4.815 1.00 0.69 H new ATOM 0 HB2 LYS A 36 4.916 2.829 -6.555 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.307 3.757 -7.079 1.00 0.80 H new ATOM 0 HG2 LYS A 36 7.768 1.792 -6.641 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.362 0.867 -6.152 1.00 1.05 H new ATOM 0 HD2 LYS A 36 5.328 1.331 -8.414 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.809 2.136 -8.891 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.081 0.033 -8.455 1.00 1.84 H new ATOM 0 HE3 LYS A 36 6.589 -0.769 -8.006 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 7.193 -1.255 -10.282 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 5.738 -0.381 -10.244 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 7.184 0.396 -10.679 1.00 2.23 H new ATOM 609 N ILE A 37 4.293 2.251 -4.100 1.00 0.61 N ATOM 610 CA ILE A 37 3.561 1.323 -3.253 1.00 0.60 C ATOM 611 C ILE A 37 3.510 -0.046 -3.925 1.00 0.54 C ATOM 612 O ILE A 37 3.150 -0.150 -5.095 1.00 0.75 O ATOM 613 CB ILE A 37 2.112 1.800 -3.019 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.074 3.174 -2.360 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.337 0.783 -2.175 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.668 3.724 -2.184 1.00 1.01 C ATOM 0 H ILE A 37 3.711 2.745 -4.776 1.00 0.61 H new ATOM 0 HA ILE A 37 4.077 1.268 -2.294 1.00 0.60 H new ATOM 0 HB ILE A 37 1.633 1.884 -3.995 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.557 3.114 -1.385 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.656 3.873 -2.961 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.318 1.139 -2.022 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.313 -0.176 -2.692 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.828 0.662 -1.209 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.717 4.704 -1.709 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.189 3.817 -3.159 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.088 3.046 -1.558 1.00 1.01 H new ATOM 628 N MET A 38 3.856 -1.089 -3.203 1.00 0.51 N ATOM 629 CA MET A 38 3.835 -2.449 -3.728 1.00 0.59 C ATOM 630 C MET A 38 2.757 -3.260 -3.036 1.00 0.60 C ATOM 631 O MET A 38 2.863 -3.568 -1.857 1.00 0.98 O ATOM 632 CB MET A 38 5.202 -3.093 -3.501 1.00 0.75 C ATOM 633 CG MET A 38 6.294 -2.513 -4.383 1.00 1.40 C ATOM 634 SD MET A 38 7.929 -3.162 -4.010 1.00 1.72 S ATOM 635 CE MET A 38 8.947 -2.149 -5.095 1.00 2.53 C ATOM 0 H MET A 38 4.162 -1.024 -2.232 1.00 0.51 H new ATOM 0 HA MET A 38 3.616 -2.423 -4.795 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.485 -2.969 -2.456 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.126 -4.165 -3.686 1.00 0.75 H new ATOM 0 HG2 MET A 38 6.057 -2.721 -5.426 1.00 1.40 H new ATOM 0 HG3 MET A 38 6.306 -1.429 -4.269 1.00 1.40 H new ATOM 0 HE1 MET A 38 9.992 -2.443 -4.993 1.00 2.53 H new ATOM 0 HE2 MET A 38 8.629 -2.290 -6.128 1.00 2.53 H new ATOM 0 HE3 MET A 38 8.837 -1.100 -4.822 1.00 2.53 H new ATOM 645 N PHE A 39 1.707 -3.609 -3.761 1.00 0.61 N ATOM 646 CA PHE A 39 0.649 -4.392 -3.157 1.00 0.71 C ATOM 647 C PHE A 39 0.337 -5.655 -3.966 1.00 0.72 C ATOM 648 O PHE A 39 -0.562 -5.687 -4.798 1.00 1.08 O ATOM 649 CB PHE A 39 -0.606 -3.545 -2.885 1.00 1.11 C ATOM 650 CG PHE A 39 -1.364 -3.093 -4.102 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.763 -2.272 -5.040 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.679 -3.499 -4.307 1.00 1.32 C ATOM 653 CE1 PHE A 39 -1.466 -1.860 -6.164 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.384 -3.088 -5.422 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.773 -2.268 -6.349 1.00 1.57 C ATOM 0 H PHE A 39 1.568 -3.369 -4.743 1.00 0.61 H new ATOM 0 HA PHE A 39 1.014 -4.729 -2.187 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.281 -4.122 -2.253 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.311 -2.664 -2.316 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.258 -1.950 -4.897 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -3.155 -4.145 -3.584 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -0.991 -1.221 -6.894 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.406 -3.406 -5.567 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.319 -1.944 -7.223 1.00 1.57 H new ATOM 665 N THR A 40 1.114 -6.699 -3.705 1.00 0.63 N ATOM 666 CA THR A 40 0.946 -7.968 -4.379 1.00 0.74 C ATOM 667 C THR A 40 -0.355 -8.644 -3.917 1.00 0.84 C ATOM 668 O THR A 40 -0.713 -8.575 -2.733 1.00 1.16 O ATOM 669 CB THR A 40 2.158 -8.851 -4.096 1.00 0.98 C ATOM 670 OG1 THR A 40 2.516 -8.778 -2.726 1.00 1.45 O ATOM 671 CG2 THR A 40 3.372 -8.484 -4.911 1.00 1.35 C ATOM 0 H THR A 40 1.872 -6.684 -3.023 1.00 0.63 H new ATOM 0 HA THR A 40 0.874 -7.808 -5.455 1.00 0.74 H new ATOM 0 HB THR A 40 1.854 -9.860 -4.373 1.00 0.98 H new ATOM 0 HG1 THR A 40 2.871 -9.643 -2.434 1.00 1.45 H new ATOM 0 HG21 THR A 40 4.195 -9.152 -4.659 1.00 1.35 H new ATOM 0 HG22 THR A 40 3.140 -8.578 -5.972 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.660 -7.456 -4.693 1.00 1.35 H new ATOM 679 N GLU A 41 -1.081 -9.247 -4.853 1.00 1.04 N ATOM 680 CA GLU A 41 -2.351 -9.875 -4.552 1.00 1.27 C ATOM 681 C GLU A 41 -2.428 -11.318 -5.040 1.00 1.20 C ATOM 682 O GLU A 41 -1.590 -11.755 -5.838 1.00 1.66 O ATOM 683 CB GLU A 41 -3.477 -9.086 -5.207 1.00 1.89 C ATOM 684 CG GLU A 41 -3.557 -9.220 -6.730 1.00 2.55 C ATOM 685 CD GLU A 41 -2.606 -8.309 -7.491 1.00 3.05 C ATOM 686 OE1 GLU A 41 -1.372 -8.404 -7.310 1.00 3.56 O ATOM 687 OE2 GLU A 41 -3.094 -7.517 -8.320 1.00 3.46 O ATOM 0 H GLU A 41 -0.804 -9.311 -5.832 1.00 1.04 H new ATOM 0 HA GLU A 41 -2.450 -9.881 -3.466 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -4.425 -9.410 -4.778 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.357 -8.032 -4.955 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -3.347 -10.254 -7.003 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -4.578 -9.007 -7.048 1.00 2.55 H new ATOM 694 N GLN A 42 -3.483 -12.008 -4.573 1.00 1.08 N ATOM 695 CA GLN A 42 -3.805 -13.397 -4.931 1.00 1.24 C ATOM 696 C GLN A 42 -4.789 -13.986 -3.942 1.00 1.37 C ATOM 697 O GLN A 42 -4.429 -14.485 -2.879 1.00 1.84 O ATOM 698 CB GLN A 42 -2.587 -14.300 -5.005 1.00 1.58 C ATOM 699 CG GLN A 42 -2.125 -14.574 -6.422 1.00 2.34 C ATOM 700 CD GLN A 42 -3.151 -15.345 -7.222 1.00 2.87 C ATOM 701 OE1 GLN A 42 -3.536 -16.445 -6.846 1.00 3.26 O ATOM 702 NE2 GLN A 42 -3.603 -14.789 -8.334 1.00 3.46 N ATOM 0 H GLN A 42 -4.152 -11.602 -3.919 1.00 1.08 H new ATOM 0 HA GLN A 42 -4.242 -13.351 -5.928 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -1.770 -13.842 -4.447 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -2.816 -15.247 -4.516 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -1.914 -13.629 -6.922 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -1.192 -15.136 -6.395 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -3.262 -13.871 -8.620 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -4.292 -15.278 -8.905 1.00 3.46 H new ATOM 711 N ASP A 43 -6.037 -13.889 -4.288 1.00 1.32 N ATOM 712 CA ASP A 43 -7.110 -14.379 -3.453 1.00 1.60 C ATOM 713 C ASP A 43 -8.239 -14.966 -4.273 1.00 1.62 C ATOM 714 O ASP A 43 -8.842 -14.273 -5.079 1.00 1.97 O ATOM 715 CB ASP A 43 -7.629 -13.236 -2.582 1.00 2.08 C ATOM 716 CG ASP A 43 -8.831 -13.629 -1.758 1.00 2.50 C ATOM 717 OD1 ASP A 43 -8.772 -14.681 -1.096 1.00 2.96 O ATOM 718 OD2 ASP A 43 -9.822 -12.872 -1.758 1.00 2.87 O ATOM 0 H ASP A 43 -6.349 -13.466 -5.162 1.00 1.32 H new ATOM 0 HA ASP A 43 -6.718 -15.179 -2.825 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.832 -12.901 -1.918 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -7.891 -12.390 -3.218 1.00 2.08 H new ATOM 723 N ALA A 44 -8.518 -16.251 -4.047 1.00 1.87 N ATOM 724 CA ALA A 44 -9.582 -16.948 -4.758 1.00 2.28 C ATOM 725 C ALA A 44 -10.800 -17.139 -3.855 1.00 2.75 C ATOM 726 O ALA A 44 -11.929 -17.241 -4.339 1.00 3.39 O ATOM 727 CB ALA A 44 -9.064 -18.285 -5.273 1.00 2.82 C ATOM 0 H ALA A 44 -8.017 -16.829 -3.373 1.00 1.87 H new ATOM 0 HA ALA A 44 -9.896 -16.345 -5.610 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -9.862 -18.804 -5.804 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -8.228 -18.114 -5.951 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -8.731 -18.894 -4.433 1.00 2.82 H new ATOM 733 N SER A 45 -10.554 -17.171 -2.544 1.00 3.20 N ATOM 734 CA SER A 45 -11.608 -17.341 -1.538 1.00 4.25 C ATOM 735 C SER A 45 -11.345 -16.412 -0.338 1.00 4.77 C ATOM 736 O SER A 45 -11.649 -15.222 -0.414 1.00 5.30 O ATOM 737 CB SER A 45 -11.696 -18.817 -1.116 1.00 4.93 C ATOM 738 OG SER A 45 -11.830 -19.655 -2.254 1.00 5.22 O ATOM 0 H SER A 45 -9.618 -17.080 -2.148 1.00 3.20 H new ATOM 0 HA SER A 45 -12.572 -17.062 -1.964 1.00 4.25 H new ATOM 0 HB2 SER A 45 -10.803 -19.095 -0.556 1.00 4.93 H new ATOM 0 HB3 SER A 45 -12.547 -18.960 -0.450 1.00 4.93 H new ATOM 0 HG SER A 45 -11.883 -20.591 -1.967 1.00 5.22 H new ATOM 744 N THR A 46 -10.775 -16.939 0.751 1.00 5.00 N ATOM 745 CA THR A 46 -10.462 -16.127 1.927 1.00 5.82 C ATOM 746 C THR A 46 -8.956 -16.184 2.227 1.00 5.62 C ATOM 747 O THR A 46 -8.511 -16.849 3.170 1.00 5.88 O ATOM 748 CB THR A 46 -11.291 -16.584 3.131 1.00 6.59 C ATOM 749 OG1 THR A 46 -11.496 -17.987 3.099 1.00 6.31 O ATOM 750 CG2 THR A 46 -12.648 -15.912 3.209 1.00 7.39 C ATOM 0 H THR A 46 -10.522 -17.923 0.840 1.00 5.00 H new ATOM 0 HA THR A 46 -10.724 -15.089 1.720 1.00 5.82 H new ATOM 0 HB THR A 46 -10.713 -16.297 4.009 1.00 6.59 H new ATOM 0 HG1 THR A 46 -12.026 -18.258 3.877 1.00 6.31 H new ATOM 0 HG21 THR A 46 -13.186 -16.279 4.083 1.00 7.39 H new ATOM 0 HG22 THR A 46 -12.516 -14.833 3.290 1.00 7.39 H new ATOM 0 HG23 THR A 46 -13.219 -16.141 2.309 1.00 7.39 H new ATOM 758 N SER A 47 -8.189 -15.469 1.402 1.00 5.54 N ATOM 759 CA SER A 47 -6.727 -15.392 1.512 1.00 5.68 C ATOM 760 C SER A 47 -6.000 -16.736 1.286 1.00 5.14 C ATOM 761 O SER A 47 -4.980 -16.990 1.934 1.00 5.00 O ATOM 762 CB SER A 47 -6.336 -14.800 2.876 1.00 6.41 C ATOM 763 OG SER A 47 -7.121 -13.668 3.177 1.00 6.89 O ATOM 0 H SER A 47 -8.567 -14.920 0.630 1.00 5.54 H new ATOM 0 HA SER A 47 -6.398 -14.739 0.703 1.00 5.68 H new ATOM 0 HB2 SER A 47 -6.463 -15.553 3.654 1.00 6.41 H new ATOM 0 HB3 SER A 47 -5.281 -14.525 2.869 1.00 6.41 H new ATOM 0 HG SER A 47 -6.856 -13.309 4.050 1.00 6.89 H new ATOM 769 N PRO A 48 -6.473 -17.629 0.351 1.00 5.23 N ATOM 770 CA PRO A 48 -5.796 -18.914 0.089 1.00 5.13 C ATOM 771 C PRO A 48 -4.389 -18.772 -0.547 1.00 4.48 C ATOM 772 O PRO A 48 -3.404 -19.223 0.032 1.00 4.75 O ATOM 773 CB PRO A 48 -6.741 -19.667 -0.850 1.00 5.87 C ATOM 774 CG PRO A 48 -8.024 -18.918 -0.807 1.00 6.34 C ATOM 775 CD PRO A 48 -7.662 -17.487 -0.515 1.00 5.91 C ATOM 0 HA PRO A 48 -5.609 -19.436 1.028 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -6.341 -19.703 -1.863 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -6.878 -20.698 -0.525 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -8.555 -19.000 -1.755 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -8.683 -19.318 -0.037 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -7.437 -16.931 -1.425 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -8.471 -16.958 -0.011 1.00 5.91 H new ATOM 783 N PRO A 49 -4.246 -18.147 -1.749 1.00 4.08 N ATOM 784 CA PRO A 49 -2.940 -17.996 -2.392 1.00 3.90 C ATOM 785 C PRO A 49 -2.113 -16.868 -1.769 1.00 3.66 C ATOM 786 O PRO A 49 -0.882 -16.928 -1.756 1.00 4.13 O ATOM 787 CB PRO A 49 -3.267 -17.672 -3.858 1.00 4.20 C ATOM 788 CG PRO A 49 -4.763 -17.704 -3.973 1.00 4.54 C ATOM 789 CD PRO A 49 -5.297 -17.551 -2.577 1.00 4.40 C ATOM 0 HA PRO A 49 -2.337 -18.897 -2.277 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -2.877 -16.693 -4.136 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -2.810 -18.400 -4.528 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -5.121 -16.900 -4.616 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -5.099 -18.641 -4.417 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -5.465 -16.504 -2.323 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -6.249 -18.066 -2.451 1.00 4.40 H new ATOM 797 N SER A 50 -2.801 -15.832 -1.281 1.00 3.25 N ATOM 798 CA SER A 50 -2.170 -14.667 -0.665 1.00 3.42 C ATOM 799 C SER A 50 -1.630 -13.715 -1.722 1.00 2.88 C ATOM 800 O SER A 50 -2.281 -12.718 -2.026 1.00 3.28 O ATOM 801 CB SER A 50 -1.081 -15.076 0.343 1.00 4.28 C ATOM 802 OG SER A 50 -1.590 -16.008 1.291 1.00 4.85 O ATOM 0 H SER A 50 -3.819 -15.780 -1.304 1.00 3.25 H new ATOM 0 HA SER A 50 -2.938 -14.135 -0.103 1.00 3.42 H new ATOM 0 HB2 SER A 50 -0.236 -15.515 -0.187 1.00 4.28 H new ATOM 0 HB3 SER A 50 -0.708 -14.192 0.860 1.00 4.28 H new ATOM 0 HG SER A 50 -0.881 -16.255 1.920 1.00 4.85 H new ATOM 808 N TYR A 51 -0.468 -14.004 -2.299 1.00 2.46 N ATOM 809 CA TYR A 51 0.067 -13.139 -3.347 1.00 2.13 C ATOM 810 C TYR A 51 0.917 -13.925 -4.342 1.00 2.52 C ATOM 811 O TYR A 51 1.581 -14.904 -3.994 1.00 3.20 O ATOM 812 CB TYR A 51 0.880 -11.966 -2.762 1.00 2.21 C ATOM 813 CG TYR A 51 2.298 -12.320 -2.343 1.00 2.58 C ATOM 814 CD1 TYR A 51 2.532 -13.221 -1.322 1.00 3.33 C ATOM 815 CD2 TYR A 51 3.392 -11.744 -2.977 1.00 2.99 C ATOM 816 CE1 TYR A 51 3.819 -13.535 -0.932 1.00 4.15 C ATOM 817 CE2 TYR A 51 4.693 -12.052 -2.590 1.00 3.82 C ATOM 818 CZ TYR A 51 4.895 -12.947 -1.566 1.00 4.30 C ATOM 819 OH TYR A 51 6.170 -13.268 -1.168 1.00 5.34 O ATOM 0 H TYR A 51 0.111 -14.811 -2.067 1.00 2.46 H new ATOM 0 HA TYR A 51 -0.790 -12.725 -3.878 1.00 2.13 H new ATOM 0 HB2 TYR A 51 0.924 -11.167 -3.503 1.00 2.21 H new ATOM 0 HB3 TYR A 51 0.349 -11.570 -1.897 1.00 2.21 H new ATOM 0 HD1 TYR A 51 1.696 -13.687 -0.821 1.00 3.33 H new ATOM 0 HD2 TYR A 51 3.230 -11.045 -3.784 1.00 2.99 H new ATOM 0 HE1 TYR A 51 3.984 -14.241 -0.131 1.00 4.15 H new ATOM 0 HE2 TYR A 51 5.534 -11.593 -3.088 1.00 3.82 H new ATOM 0 HH TYR A 51 6.817 -12.772 -1.712 1.00 5.34 H new ATOM 829 N THR A 52 0.887 -13.468 -5.580 1.00 2.67 N ATOM 830 CA THR A 52 1.650 -14.069 -6.668 1.00 3.45 C ATOM 831 C THR A 52 1.845 -13.028 -7.754 1.00 3.24 C ATOM 832 O THR A 52 2.924 -12.887 -8.330 1.00 3.53 O ATOM 833 CB THR A 52 0.927 -15.296 -7.243 1.00 4.25 C ATOM 834 OG1 THR A 52 0.787 -16.312 -6.266 1.00 4.76 O ATOM 835 CG2 THR A 52 1.605 -15.906 -8.454 1.00 4.89 C ATOM 0 H THR A 52 0.329 -12.663 -5.865 1.00 2.67 H new ATOM 0 HA THR A 52 2.614 -14.403 -6.284 1.00 3.45 H new ATOM 0 HB THR A 52 -0.045 -14.915 -7.558 1.00 4.25 H new ATOM 0 HG1 THR A 52 1.172 -16.006 -5.418 1.00 4.76 H new ATOM 0 HG21 THR A 52 1.031 -16.767 -8.797 1.00 4.89 H new ATOM 0 HG22 THR A 52 1.661 -15.165 -9.252 1.00 4.89 H new ATOM 0 HG23 THR A 52 2.612 -16.226 -8.185 1.00 4.89 H new ATOM 843 N HIS A 53 0.795 -12.272 -8.011 1.00 3.23 N ATOM 844 CA HIS A 53 0.853 -11.215 -9.000 1.00 3.30 C ATOM 845 C HIS A 53 1.551 -10.014 -8.381 1.00 2.67 C ATOM 846 O HIS A 53 1.338 -9.706 -7.209 1.00 3.21 O ATOM 847 CB HIS A 53 -0.563 -10.885 -9.508 1.00 4.24 C ATOM 848 CG HIS A 53 -0.663 -9.682 -10.414 1.00 4.85 C ATOM 849 ND1 HIS A 53 -0.688 -8.388 -9.941 1.00 5.28 N ATOM 850 CD2 HIS A 53 -0.762 -9.592 -11.760 1.00 5.52 C ATOM 851 CE1 HIS A 53 -0.798 -7.546 -10.958 1.00 6.09 C ATOM 852 NE2 HIS A 53 -0.844 -8.252 -12.077 1.00 6.21 N ATOM 0 H HIS A 53 -0.108 -12.371 -7.548 1.00 3.23 H new ATOM 0 HA HIS A 53 1.427 -11.530 -9.872 1.00 3.30 H new ATOM 0 HB2 HIS A 53 -0.951 -11.753 -10.041 1.00 4.24 H new ATOM 0 HB3 HIS A 53 -1.211 -10.724 -8.647 1.00 4.24 H new ATOM 0 HD1 HIS A 53 -0.631 -8.120 -8.959 1.00 5.28 H new ATOM 0 HD2 HIS A 53 -0.775 -10.417 -12.457 1.00 5.52 H new ATOM 0 HE1 HIS A 53 -0.842 -6.469 -10.886 1.00 6.09 H new ATOM 861 N TYR A 54 2.408 -9.359 -9.149 1.00 2.10 N ATOM 862 CA TYR A 54 3.162 -8.217 -8.643 1.00 2.00 C ATOM 863 C TYR A 54 2.457 -6.914 -9.000 1.00 1.62 C ATOM 864 O TYR A 54 2.607 -6.401 -10.107 1.00 1.96 O ATOM 865 CB TYR A 54 4.580 -8.216 -9.230 1.00 2.78 C ATOM 866 CG TYR A 54 5.553 -7.282 -8.538 1.00 3.45 C ATOM 867 CD1 TYR A 54 5.926 -7.501 -7.214 1.00 3.89 C ATOM 868 CD2 TYR A 54 6.108 -6.200 -9.210 1.00 4.24 C ATOM 869 CE1 TYR A 54 6.834 -6.670 -6.584 1.00 4.87 C ATOM 870 CE2 TYR A 54 7.013 -5.359 -8.581 1.00 5.15 C ATOM 871 CZ TYR A 54 7.373 -5.599 -7.270 1.00 5.40 C ATOM 872 OH TYR A 54 8.288 -4.783 -6.631 1.00 6.50 O ATOM 0 H TYR A 54 2.600 -9.596 -10.122 1.00 2.10 H new ATOM 0 HA TYR A 54 3.224 -8.299 -7.558 1.00 2.00 H new ATOM 0 HB2 TYR A 54 4.977 -9.230 -9.186 1.00 2.78 H new ATOM 0 HB3 TYR A 54 4.522 -7.942 -10.283 1.00 2.78 H new ATOM 0 HD1 TYR A 54 5.500 -8.332 -6.672 1.00 3.89 H new ATOM 0 HD2 TYR A 54 5.831 -6.011 -10.237 1.00 4.24 H new ATOM 0 HE1 TYR A 54 7.121 -6.858 -5.560 1.00 4.87 H new ATOM 0 HE2 TYR A 54 7.435 -4.520 -9.114 1.00 5.15 H new ATOM 0 HH TYR A 54 7.917 -4.483 -5.775 1.00 6.50 H new ATOM 882 N SER A 55 1.685 -6.386 -8.074 1.00 1.34 N ATOM 883 CA SER A 55 0.973 -5.141 -8.322 1.00 1.50 C ATOM 884 C SER A 55 1.714 -3.994 -7.630 1.00 1.20 C ATOM 885 O SER A 55 2.379 -4.202 -6.609 1.00 1.33 O ATOM 886 CB SER A 55 -0.473 -5.263 -7.839 1.00 2.13 C ATOM 887 OG SER A 55 -1.308 -4.231 -8.355 1.00 2.61 O ATOM 0 H SER A 55 1.532 -6.791 -7.150 1.00 1.34 H new ATOM 0 HA SER A 55 0.941 -4.929 -9.391 1.00 1.50 H new ATOM 0 HB2 SER A 55 -0.872 -6.232 -8.137 1.00 2.13 H new ATOM 0 HB3 SER A 55 -0.493 -5.232 -6.750 1.00 2.13 H new ATOM 0 HG SER A 55 -1.558 -3.619 -7.631 1.00 2.61 H new ATOM 893 N SER A 56 1.618 -2.798 -8.193 1.00 1.07 N ATOM 894 CA SER A 56 2.291 -1.632 -7.654 1.00 0.91 C ATOM 895 C SER A 56 1.541 -0.347 -8.018 1.00 0.80 C ATOM 896 O SER A 56 0.873 -0.250 -9.066 1.00 0.93 O ATOM 897 CB SER A 56 3.729 -1.564 -8.182 1.00 1.09 C ATOM 898 OG SER A 56 4.470 -2.716 -7.811 1.00 1.73 O ATOM 0 H SER A 56 1.072 -2.612 -9.034 1.00 1.07 H new ATOM 0 HA SER A 56 2.309 -1.722 -6.568 1.00 0.91 H new ATOM 0 HB2 SER A 56 3.716 -1.472 -9.268 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.220 -0.672 -7.792 1.00 1.09 H new ATOM 0 HG SER A 56 5.382 -2.646 -8.163 1.00 1.73 H new ATOM 904 N ILE A 57 1.683 0.631 -7.148 1.00 0.68 N ATOM 905 CA ILE A 57 1.086 1.932 -7.320 1.00 0.67 C ATOM 906 C ILE A 57 2.181 2.995 -7.322 1.00 0.63 C ATOM 907 O ILE A 57 2.668 3.405 -6.258 1.00 0.81 O ATOM 908 CB ILE A 57 0.064 2.239 -6.209 1.00 0.76 C ATOM 909 CG1 ILE A 57 -1.196 1.363 -6.358 1.00 0.92 C ATOM 910 CG2 ILE A 57 -0.311 3.728 -6.208 1.00 0.82 C ATOM 911 CD1 ILE A 57 -2.055 1.689 -7.558 1.00 0.81 C ATOM 0 H ILE A 57 2.226 0.539 -6.289 1.00 0.68 H new ATOM 0 HA ILE A 57 0.555 1.939 -8.272 1.00 0.67 H new ATOM 0 HB ILE A 57 0.530 2.002 -5.252 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.890 0.319 -6.420 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.801 1.465 -5.457 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -1.034 3.921 -5.415 1.00 0.82 H new ATOM 0 HG22 ILE A 57 0.583 4.328 -6.038 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.749 3.994 -7.170 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.917 1.022 -7.580 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.397 2.722 -7.491 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.472 1.558 -8.469 1.00 0.81 H new ATOM 923 N ARG A 58 2.587 3.395 -8.526 1.00 0.66 N ATOM 924 CA ARG A 58 3.647 4.389 -8.693 1.00 0.73 C ATOM 925 C ARG A 58 3.356 5.633 -7.840 1.00 0.75 C ATOM 926 O ARG A 58 2.272 6.225 -7.923 1.00 0.91 O ATOM 927 CB ARG A 58 3.814 4.760 -10.189 1.00 0.96 C ATOM 928 CG ARG A 58 3.487 6.207 -10.531 1.00 1.24 C ATOM 929 CD ARG A 58 2.710 6.327 -11.836 1.00 1.86 C ATOM 930 NE ARG A 58 2.813 7.668 -12.416 1.00 2.47 N ATOM 931 CZ ARG A 58 3.928 8.152 -12.990 1.00 2.95 C ATOM 932 NH1 ARG A 58 4.872 7.328 -13.393 1.00 3.22 N ATOM 933 NH2 ARG A 58 3.964 9.404 -13.418 1.00 3.70 N ATOM 0 H ARG A 58 2.198 3.046 -9.402 1.00 0.66 H new ATOM 0 HA ARG A 58 4.587 3.958 -8.348 1.00 0.73 H new ATOM 0 HB2 ARG A 58 4.842 4.555 -10.486 1.00 0.96 H new ATOM 0 HB3 ARG A 58 3.174 4.108 -10.784 1.00 0.96 H new ATOM 0 HG2 ARG A 58 2.905 6.648 -9.721 1.00 1.24 H new ATOM 0 HG3 ARG A 58 4.412 6.779 -10.607 1.00 1.24 H new ATOM 0 HD2 ARG A 58 3.085 5.594 -12.550 1.00 1.86 H new ATOM 0 HD3 ARG A 58 1.661 6.089 -11.657 1.00 1.86 H new ATOM 0 HE ARG A 58 1.990 8.270 -12.382 1.00 2.47 H new ATOM 0 HH11 ARG A 58 4.758 6.322 -13.270 1.00 3.22 H new ATOM 0 HH12 ARG A 58 5.718 7.696 -13.829 1.00 3.22 H new ATOM 0 HH21 ARG A 58 3.145 10.003 -13.312 1.00 3.70 H new ATOM 0 HH22 ARG A 58 4.811 9.770 -13.853 1.00 3.70 H new ATOM 947 N LEU A 59 4.315 5.997 -7.000 1.00 0.85 N ATOM 948 CA LEU A 59 4.161 7.135 -6.110 1.00 1.02 C ATOM 949 C LEU A 59 4.300 8.441 -6.868 1.00 1.15 C ATOM 950 O LEU A 59 3.939 9.501 -6.367 1.00 1.59 O ATOM 951 CB LEU A 59 5.205 7.061 -4.991 1.00 1.28 C ATOM 952 CG LEU A 59 4.735 7.514 -3.608 1.00 1.35 C ATOM 953 CD1 LEU A 59 4.023 6.385 -2.886 1.00 1.35 C ATOM 954 CD2 LEU A 59 5.908 8.001 -2.779 1.00 1.79 C ATOM 0 H LEU A 59 5.211 5.517 -6.918 1.00 0.85 H new ATOM 0 HA LEU A 59 3.162 7.101 -5.676 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.556 6.032 -4.915 1.00 1.28 H new ATOM 0 HB3 LEU A 59 6.062 7.669 -5.279 1.00 1.28 H new ATOM 0 HG LEU A 59 4.034 8.338 -3.743 1.00 1.35 H new ATOM 0 HD11 LEU A 59 3.697 6.729 -1.904 1.00 1.35 H new ATOM 0 HD12 LEU A 59 3.156 6.071 -3.467 1.00 1.35 H new ATOM 0 HD13 LEU A 59 4.704 5.542 -2.767 1.00 1.35 H new ATOM 0 HD21 LEU A 59 5.553 8.319 -1.799 1.00 1.79 H new ATOM 0 HD22 LEU A 59 6.629 7.193 -2.659 1.00 1.79 H new ATOM 0 HD23 LEU A 59 6.385 8.842 -3.282 1.00 1.79 H new ATOM 966 N ASP A 60 4.864 8.363 -8.070 1.00 1.13 N ATOM 967 CA ASP A 60 5.095 9.552 -8.885 1.00 1.33 C ATOM 968 C ASP A 60 3.800 10.324 -9.172 1.00 1.33 C ATOM 969 O ASP A 60 3.743 11.530 -8.926 1.00 1.56 O ATOM 970 CB ASP A 60 5.789 9.156 -10.188 1.00 1.46 C ATOM 971 CG ASP A 60 6.128 10.341 -11.064 1.00 1.90 C ATOM 972 OD1 ASP A 60 5.201 10.961 -11.633 1.00 2.52 O ATOM 973 OD2 ASP A 60 7.326 10.648 -11.206 1.00 2.27 O ATOM 0 H ASP A 60 5.169 7.490 -8.501 1.00 1.13 H new ATOM 0 HA ASP A 60 5.740 10.224 -8.318 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.704 8.611 -9.954 1.00 1.46 H new ATOM 0 HB3 ASP A 60 5.145 8.474 -10.743 1.00 1.46 H new ATOM 978 N LYS A 61 2.777 9.658 -9.712 1.00 1.22 N ATOM 979 CA LYS A 61 1.535 10.351 -10.026 1.00 1.28 C ATOM 980 C LYS A 61 0.288 9.577 -9.622 1.00 1.06 C ATOM 981 O LYS A 61 -0.426 9.041 -10.469 1.00 1.27 O ATOM 982 CB LYS A 61 1.465 10.670 -11.525 1.00 1.60 C ATOM 983 CG LYS A 61 2.152 11.968 -11.917 1.00 1.93 C ATOM 984 CD LYS A 61 1.615 12.483 -13.243 1.00 2.55 C ATOM 985 CE LYS A 61 2.190 13.851 -13.592 1.00 3.16 C ATOM 986 NZ LYS A 61 1.688 14.333 -14.898 1.00 3.92 N ATOM 0 H LYS A 61 2.785 8.663 -9.935 1.00 1.22 H new ATOM 0 HA LYS A 61 1.549 11.269 -9.439 1.00 1.28 H new ATOM 0 HB2 LYS A 61 1.918 9.849 -12.081 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.419 10.720 -11.826 1.00 1.60 H new ATOM 0 HG2 LYS A 61 1.995 12.717 -11.140 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.227 11.807 -11.993 1.00 1.93 H new ATOM 0 HD2 LYS A 61 1.858 11.774 -14.034 1.00 2.55 H new ATOM 0 HD3 LYS A 61 0.528 12.547 -13.195 1.00 2.55 H new ATOM 0 HE2 LYS A 61 1.927 14.567 -12.813 1.00 3.16 H new ATOM 0 HE3 LYS A 61 3.278 13.794 -13.618 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 2.099 15.266 -15.105 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 1.961 13.662 -15.644 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 0.651 14.411 -14.864 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.005 9.561 -8.333 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.213 8.925 -7.837 1.00 0.69 C ATOM 1002 C TYR A 62 -1.784 9.790 -6.716 1.00 0.67 C ATOM 1003 O TYR A 62 -1.032 10.415 -5.967 1.00 0.83 O ATOM 1004 CB TYR A 62 -0.941 7.482 -7.372 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.571 7.351 -5.913 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.725 7.572 -5.471 1.00 1.46 C ATOM 1007 CD2 TYR A 62 -1.540 7.024 -4.977 1.00 1.49 C ATOM 1008 CE1 TYR A 62 1.043 7.464 -4.125 1.00 1.79 C ATOM 1009 CE2 TYR A 62 -1.240 6.916 -3.639 1.00 1.84 C ATOM 1010 CZ TYR A 62 0.059 7.138 -3.213 1.00 1.66 C ATOM 1011 OH TYR A 62 0.379 7.036 -1.874 1.00 2.21 O ATOM 0 H TYR A 62 0.578 9.982 -7.610 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.946 8.847 -8.640 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -1.828 6.879 -7.564 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.135 7.065 -7.977 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.495 7.831 -6.183 1.00 1.46 H new ATOM 0 HD2 TYR A 62 -2.554 6.850 -5.306 1.00 1.49 H new ATOM 0 HE1 TYR A 62 2.056 7.634 -3.792 1.00 1.79 H new ATOM 0 HE2 TYR A 62 -2.011 6.660 -2.927 1.00 1.84 H new ATOM 0 HH TYR A 62 0.477 7.933 -1.492 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.095 9.851 -6.599 1.00 0.64 N ATOM 1022 CA ASN A 63 -3.703 10.666 -5.551 1.00 0.73 C ATOM 1023 C ASN A 63 -4.440 9.780 -4.564 1.00 0.64 C ATOM 1024 O ASN A 63 -5.467 9.185 -4.897 1.00 0.73 O ATOM 1025 CB ASN A 63 -4.651 11.699 -6.144 1.00 0.89 C ATOM 1026 CG ASN A 63 -5.042 12.771 -5.149 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -5.672 12.494 -4.130 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -4.685 14.011 -5.440 1.00 2.13 N ATOM 0 H ASN A 63 -3.755 9.358 -7.201 1.00 0.64 H new ATOM 0 HA ASN A 63 -2.909 11.198 -5.027 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -4.179 12.166 -7.008 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -5.549 11.198 -6.504 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -4.932 14.774 -4.810 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -4.163 14.204 -6.295 1.00 2.13 H new ATOM 1035 N ILE A 64 -3.909 9.684 -3.366 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.514 8.866 -2.324 1.00 0.70 C ATOM 1037 C ILE A 64 -5.362 9.748 -1.414 1.00 0.79 C ATOM 1038 O ILE A 64 -4.980 10.872 -1.097 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.446 8.096 -1.492 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.106 6.972 -0.683 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -2.683 9.042 -0.576 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.137 5.993 -0.077 1.00 1.18 C ATOM 0 H ILE A 64 -3.054 10.163 -3.082 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.145 8.119 -2.805 1.00 0.70 H new ATOM 0 HB ILE A 64 -2.731 7.650 -2.184 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -4.702 7.416 0.114 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -4.794 6.430 -1.331 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -1.944 8.479 -0.006 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.179 9.801 -1.175 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.379 9.525 0.110 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -3.687 5.232 0.477 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -2.557 5.518 -0.868 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -2.464 6.519 0.600 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.531 9.242 -1.027 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.467 9.976 -0.173 1.00 0.80 C ATOM 1056 C ARG A 65 -8.105 9.029 0.831 1.00 0.68 C ATOM 1057 O ARG A 65 -7.735 7.862 0.915 1.00 0.71 O ATOM 1058 CB ARG A 65 -8.574 10.621 -1.019 1.00 0.97 C ATOM 1059 CG ARG A 65 -8.094 11.731 -1.940 1.00 1.24 C ATOM 1060 CD ARG A 65 -7.630 12.971 -1.178 1.00 1.78 C ATOM 1061 NE ARG A 65 -8.735 13.665 -0.494 1.00 2.20 N ATOM 1062 CZ ARG A 65 -9.710 14.327 -1.122 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -9.633 14.579 -2.414 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -10.641 14.935 -0.416 1.00 3.57 N ATOM 0 H ARG A 65 -6.857 8.313 -1.295 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.913 10.754 0.351 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.052 9.848 -1.620 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.337 11.023 -0.352 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -7.274 11.359 -2.554 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -8.900 12.008 -2.619 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -6.879 12.681 -0.444 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -7.148 13.660 -1.872 1.00 1.78 H new ATOM 0 HE ARG A 65 -8.757 13.638 0.525 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.821 14.267 -2.947 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -10.385 15.086 -2.880 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -10.614 14.898 0.603 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -11.389 15.443 -0.888 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.083 9.514 1.566 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.776 8.678 2.528 1.00 0.83 C ATOM 1080 C GLN A 66 -11.182 9.212 2.762 1.00 0.99 C ATOM 1081 O GLN A 66 -11.364 10.416 2.960 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.988 8.622 3.846 1.00 0.97 C ATOM 1083 CG GLN A 66 -8.900 9.951 4.579 1.00 1.30 C ATOM 1084 CD GLN A 66 -7.855 9.948 5.676 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -6.655 9.906 5.395 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -8.292 9.959 6.922 1.00 2.45 N ATOM 0 H GLN A 66 -9.416 10.477 1.518 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.852 7.665 2.132 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -9.454 7.888 4.503 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.978 8.268 3.637 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -8.668 10.740 3.864 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -9.873 10.188 5.010 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -9.294 9.994 7.111 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -7.628 9.932 7.696 1.00 2.45 H new ATOM 1095 N HIS A 67 -12.175 8.330 2.754 1.00 0.94 N ATOM 1096 CA HIS A 67 -13.544 8.736 2.999 1.00 1.14 C ATOM 1097 C HIS A 67 -13.814 8.599 4.476 1.00 1.30 C ATOM 1098 O HIS A 67 -13.856 7.488 5.008 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.534 7.913 2.192 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.473 8.209 0.731 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.539 9.483 0.209 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -14.347 7.383 -0.322 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.463 9.417 -1.098 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.347 8.158 -1.443 1.00 1.61 N ATOM 0 H HIS A 67 -12.053 7.332 2.580 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.674 9.771 2.682 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.335 6.853 2.352 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.543 8.107 2.556 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -14.262 6.307 -0.286 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.491 10.258 -1.776 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -14.269 7.813 -2.400 1.00 1.61 H new ATOM 1113 N THR A 68 -13.929 9.742 5.134 1.00 1.74 N ATOM 1114 CA THR A 68 -14.128 9.807 6.565 1.00 2.04 C ATOM 1115 C THR A 68 -15.570 9.465 6.981 1.00 1.92 C ATOM 1116 O THR A 68 -16.341 10.344 7.371 1.00 2.16 O ATOM 1117 CB THR A 68 -13.738 11.201 7.046 1.00 2.74 C ATOM 1118 OG1 THR A 68 -12.461 11.552 6.536 1.00 3.12 O ATOM 1119 CG2 THR A 68 -13.675 11.344 8.547 1.00 3.23 C ATOM 0 H THR A 68 -13.886 10.655 4.682 1.00 1.74 H new ATOM 0 HA THR A 68 -13.495 9.054 7.035 1.00 2.04 H new ATOM 0 HB THR A 68 -14.526 11.858 6.678 1.00 2.74 H new ATOM 0 HG1 THR A 68 -11.785 10.944 6.901 1.00 3.12 H new ATOM 0 HG21 THR A 68 -13.391 12.365 8.804 1.00 3.23 H new ATOM 0 HG22 THR A 68 -14.652 11.121 8.975 1.00 3.23 H new ATOM 0 HG23 THR A 68 -12.936 10.650 8.948 1.00 3.23 H new ATOM 1127 N THR A 69 -15.907 8.179 6.952 1.00 2.34 N ATOM 1128 CA THR A 69 -17.207 7.726 7.410 1.00 2.58 C ATOM 1129 C THR A 69 -16.972 7.352 8.875 1.00 2.35 C ATOM 1130 O THR A 69 -16.221 8.052 9.547 1.00 2.76 O ATOM 1131 CB THR A 69 -17.697 6.550 6.552 1.00 3.11 C ATOM 1132 OG1 THR A 69 -17.252 6.717 5.214 1.00 3.61 O ATOM 1133 CG2 THR A 69 -19.212 6.433 6.503 1.00 3.69 C ATOM 0 H THR A 69 -15.295 7.436 6.615 1.00 2.34 H new ATOM 0 HA THR A 69 -17.993 8.476 7.321 1.00 2.58 H new ATOM 0 HB THR A 69 -17.291 5.651 7.016 1.00 3.11 H new ATOM 0 HG1 THR A 69 -17.564 5.965 4.669 1.00 3.61 H new ATOM 0 HG21 THR A 69 -19.491 5.583 5.881 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.598 6.287 7.512 1.00 3.69 H new ATOM 0 HG23 THR A 69 -19.634 7.345 6.081 1.00 3.69 H new ATOM 1141 N ASP A 70 -17.506 6.249 9.387 1.00 2.34 N ATOM 1142 CA ASP A 70 -17.192 5.862 10.761 1.00 2.43 C ATOM 1143 C ASP A 70 -15.762 5.352 10.756 1.00 2.17 C ATOM 1144 O ASP A 70 -14.976 5.575 11.684 1.00 2.45 O ATOM 1145 CB ASP A 70 -18.131 4.759 11.244 1.00 3.01 C ATOM 1146 CG ASP A 70 -17.772 4.258 12.626 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -17.866 5.043 13.594 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -17.379 3.083 12.743 1.00 3.96 O ATOM 0 H ASP A 70 -18.140 5.622 8.891 1.00 2.34 H new ATOM 0 HA ASP A 70 -17.312 6.712 11.433 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -19.154 5.135 11.251 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -18.102 3.927 10.540 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.431 4.705 9.650 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.107 4.171 9.402 1.00 2.00 C ATOM 1155 C GLU A 71 -13.551 4.855 8.160 1.00 1.55 C ATOM 1156 O GLU A 71 -14.136 4.724 7.082 1.00 1.90 O ATOM 1157 CB GLU A 71 -14.174 2.664 9.164 1.00 2.69 C ATOM 1158 CG GLU A 71 -14.733 1.880 10.340 1.00 3.30 C ATOM 1159 CD GLU A 71 -15.100 0.463 9.978 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -15.250 0.158 8.771 1.00 4.50 O ATOM 1161 OE2 GLU A 71 -15.273 -0.350 10.901 1.00 4.40 O ATOM 0 H GLU A 71 -16.088 4.535 8.888 1.00 2.04 H new ATOM 0 HA GLU A 71 -13.468 4.354 10.266 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -14.790 2.472 8.286 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -13.173 2.297 8.938 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -13.997 1.865 11.144 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -15.615 2.392 10.725 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.447 5.576 8.293 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.873 6.256 7.136 1.00 1.10 C ATOM 1170 C ASP A 72 -11.410 5.220 6.121 1.00 0.90 C ATOM 1171 O ASP A 72 -10.518 4.416 6.391 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.716 7.185 7.514 1.00 1.58 C ATOM 1173 CG ASP A 72 -11.151 8.426 8.268 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -11.729 8.291 9.365 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -10.889 9.555 7.781 1.00 2.64 O ATOM 0 H ASP A 72 -11.939 5.705 9.168 1.00 1.31 H new ATOM 0 HA ASP A 72 -12.650 6.885 6.701 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -10.002 6.632 8.124 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -10.193 7.487 6.607 1.00 1.58 H new ATOM 1180 N THR A 73 -12.026 5.268 4.952 1.00 0.74 N ATOM 1181 CA THR A 73 -11.714 4.350 3.875 1.00 0.65 C ATOM 1182 C THR A 73 -10.612 4.964 3.027 1.00 0.60 C ATOM 1183 O THR A 73 -10.837 5.981 2.369 1.00 0.79 O ATOM 1184 CB THR A 73 -12.972 4.098 3.028 1.00 0.79 C ATOM 1185 OG1 THR A 73 -14.043 3.683 3.855 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.760 3.056 1.957 1.00 0.94 C ATOM 0 H THR A 73 -12.755 5.944 4.725 1.00 0.74 H new ATOM 0 HA THR A 73 -11.376 3.394 4.275 1.00 0.65 H new ATOM 0 HB THR A 73 -13.205 5.043 2.537 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.839 3.527 3.305 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.683 2.922 1.392 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.967 3.382 1.284 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.477 2.111 2.420 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.440 4.355 3.026 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.316 4.876 2.253 1.00 0.52 C ATOM 1196 C ILE A 74 -8.469 4.435 0.806 1.00 0.50 C ATOM 1197 O ILE A 74 -8.507 3.239 0.501 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.969 4.399 2.818 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.552 5.264 4.010 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.890 4.435 1.741 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.462 5.179 5.210 1.00 0.99 C ATOM 0 H ILE A 74 -9.237 3.502 3.548 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.323 5.964 2.315 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.087 3.370 3.156 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -5.546 4.975 4.315 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -6.501 6.303 3.685 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.944 4.094 2.162 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.177 3.782 0.917 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -5.776 5.455 1.374 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -7.083 5.826 6.001 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -8.465 5.499 4.929 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.496 4.150 5.569 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.618 5.407 -0.092 1.00 0.42 N ATOM 1214 CA VAL A 75 -8.836 5.099 -1.488 1.00 0.45 C ATOM 1215 C VAL A 75 -7.690 5.600 -2.360 1.00 0.46 C ATOM 1216 O VAL A 75 -7.203 6.714 -2.174 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.195 5.682 -1.958 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.319 5.149 -1.077 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.186 7.202 -1.938 1.00 1.19 C ATOM 0 H VAL A 75 -8.591 6.403 0.127 1.00 0.42 H new ATOM 0 HA VAL A 75 -8.867 4.015 -1.595 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.361 5.366 -2.988 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.271 5.562 -1.412 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.351 4.062 -1.146 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.140 5.442 -0.042 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.153 7.576 -2.273 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -9.993 7.551 -0.924 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.405 7.570 -2.603 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.268 4.772 -3.308 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.188 5.141 -4.212 1.00 0.58 C ATOM 1231 C LEU A 76 -6.753 5.521 -5.572 1.00 0.59 C ATOM 1232 O LEU A 76 -7.253 4.679 -6.319 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.143 4.020 -4.348 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.289 3.756 -3.101 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.069 3.015 -2.032 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.019 3.002 -3.469 1.00 1.04 C ATOM 0 H LEU A 76 -7.657 3.843 -3.470 1.00 0.51 H new ATOM 0 HA LEU A 76 -5.676 6.004 -3.786 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -5.658 3.098 -4.616 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.478 4.266 -5.176 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.007 4.723 -2.684 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.429 2.847 -1.165 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -5.934 3.609 -1.735 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -5.405 2.056 -2.426 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -2.428 2.825 -2.571 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.282 2.047 -3.924 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.437 3.593 -4.176 1.00 1.04 H new ATOM 1248 N GLN A 77 -6.688 6.803 -5.874 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.201 7.332 -7.123 1.00 0.74 C ATOM 1250 C GLN A 77 -6.058 7.754 -8.035 1.00 0.78 C ATOM 1251 O GLN A 77 -5.356 8.726 -7.777 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.112 8.508 -6.819 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.329 8.109 -5.984 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.129 9.294 -5.489 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -9.628 10.107 -4.719 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -11.371 9.393 -5.933 1.00 2.03 N ATOM 0 H GLN A 77 -6.278 7.507 -5.261 1.00 0.62 H new ATOM 0 HA GLN A 77 -7.768 6.560 -7.643 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -7.546 9.273 -6.287 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.449 8.953 -7.755 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -9.976 7.466 -6.581 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -8.997 7.521 -5.129 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -11.741 8.690 -6.573 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.958 10.172 -5.636 1.00 2.03 H new ATOM 1265 N PRO A 78 -5.838 7.004 -9.121 1.00 0.85 N ATOM 1266 CA PRO A 78 -4.770 7.294 -10.085 1.00 0.99 C ATOM 1267 C PRO A 78 -5.077 8.532 -10.931 1.00 1.02 C ATOM 1268 O PRO A 78 -6.139 8.641 -11.547 1.00 1.34 O ATOM 1269 CB PRO A 78 -4.750 6.045 -10.969 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.142 5.495 -10.883 1.00 1.60 C ATOM 1271 CD PRO A 78 -6.625 5.807 -9.497 1.00 1.20 C ATOM 0 HA PRO A 78 -3.821 7.507 -9.594 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -4.485 6.292 -11.997 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.016 5.321 -10.615 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -6.788 5.950 -11.633 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -6.149 4.420 -11.066 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -7.696 6.009 -9.481 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -6.446 4.977 -8.813 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.131 9.454 -10.984 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.294 10.670 -11.781 1.00 1.56 C ATOM 1281 C GLN A 79 -3.582 10.483 -13.114 1.00 1.66 C ATOM 1282 O GLN A 79 -3.545 11.374 -13.968 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.740 11.888 -11.031 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.297 11.706 -10.577 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.730 12.890 -9.797 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -0.662 12.803 -9.203 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -2.436 14.012 -9.810 1.00 3.46 N ATOM 0 H GLN A 79 -3.242 9.389 -10.488 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.354 10.850 -11.960 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -3.804 12.764 -11.676 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.366 12.087 -10.161 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -2.234 10.813 -9.956 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.672 11.530 -11.453 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -3.322 14.051 -10.314 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -2.093 14.836 -9.316 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.039 9.297 -13.272 1.00 1.50 N ATOM 1297 CA GLU A 80 -2.341 8.905 -14.477 1.00 1.81 C ATOM 1298 C GLU A 80 -2.866 7.545 -14.915 1.00 1.62 C ATOM 1299 O GLU A 80 -2.929 6.617 -14.104 1.00 1.78 O ATOM 1300 CB GLU A 80 -0.837 8.827 -14.198 1.00 2.37 C ATOM 1301 CG GLU A 80 0.001 8.383 -15.391 1.00 3.06 C ATOM 1302 CD GLU A 80 0.008 9.401 -16.521 1.00 3.86 C ATOM 1303 OE1 GLU A 80 -0.511 10.523 -16.331 1.00 4.35 O ATOM 1304 OE2 GLU A 80 0.552 9.101 -17.611 1.00 4.42 O ATOM 0 H GLU A 80 -3.070 8.568 -12.559 1.00 1.50 H new ATOM 0 HA GLU A 80 -2.509 9.637 -15.267 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -0.489 9.806 -13.869 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -0.668 8.135 -13.373 1.00 2.37 H new ATOM 0 HG2 GLU A 80 1.025 8.205 -15.063 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -0.383 7.434 -15.766 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.265 7.406 -16.180 1.00 1.93 N ATOM 1312 CA PRO A 81 -3.787 6.148 -16.694 1.00 2.28 C ATOM 1313 C PRO A 81 -2.724 5.050 -16.673 1.00 2.24 C ATOM 1314 O PRO A 81 -1.584 5.243 -17.112 1.00 2.80 O ATOM 1315 CB PRO A 81 -4.224 6.471 -18.123 1.00 2.89 C ATOM 1316 CG PRO A 81 -3.505 7.716 -18.495 1.00 3.10 C ATOM 1317 CD PRO A 81 -3.235 8.460 -17.203 1.00 2.53 C ATOM 0 HA PRO A 81 -4.608 5.766 -16.087 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -3.972 5.656 -18.802 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -5.303 6.611 -18.179 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -2.573 7.486 -19.012 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -4.105 8.322 -19.174 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -2.270 8.967 -17.227 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -3.991 9.222 -17.015 1.00 2.53 H new ATOM 1325 N GLY A 82 -3.099 3.906 -16.137 1.00 1.99 N ATOM 1326 CA GLY A 82 -2.195 2.800 -16.030 1.00 2.10 C ATOM 1327 C GLY A 82 -2.227 2.217 -14.643 1.00 1.96 C ATOM 1328 O GLY A 82 -1.960 1.027 -14.439 1.00 2.51 O ATOM 0 H GLY A 82 -4.033 3.726 -15.769 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -2.463 2.034 -16.758 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -1.183 3.127 -16.269 1.00 2.10 H new ATOM 1332 N LEU A 83 -2.565 3.063 -13.684 1.00 1.57 N ATOM 1333 CA LEU A 83 -2.643 2.653 -12.296 1.00 1.40 C ATOM 1334 C LEU A 83 -4.072 2.250 -11.958 1.00 1.22 C ATOM 1335 O LEU A 83 -5.027 2.934 -12.315 1.00 1.13 O ATOM 1336 CB LEU A 83 -2.199 3.792 -11.372 1.00 1.31 C ATOM 1337 CG LEU A 83 -0.692 4.074 -11.308 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -0.409 5.264 -10.377 1.00 1.26 C ATOM 1339 CD2 LEU A 83 0.065 2.833 -10.832 1.00 1.86 C ATOM 0 H LEU A 83 -2.791 4.044 -13.846 1.00 1.57 H new ATOM 0 HA LEU A 83 -1.978 1.802 -12.148 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -2.704 4.705 -11.689 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -2.547 3.569 -10.364 1.00 1.31 H new ATOM 0 HG LEU A 83 -0.345 4.327 -12.310 1.00 1.47 H new ATOM 0 HD11 LEU A 83 0.664 5.452 -10.342 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -0.920 6.150 -10.753 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -0.770 5.035 -9.374 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.132 3.051 -10.792 1.00 1.86 H new ATOM 0 HD22 LEU A 83 -0.285 2.552 -9.839 1.00 1.86 H new ATOM 0 HD23 LEU A 83 -0.112 2.011 -11.525 1.00 1.86 H new ATOM 1351 N PRO A 84 -4.252 1.132 -11.258 1.00 1.33 N ATOM 1352 CA PRO A 84 -5.579 0.672 -10.876 1.00 1.29 C ATOM 1353 C PRO A 84 -6.149 1.514 -9.743 1.00 1.09 C ATOM 1354 O PRO A 84 -5.401 2.124 -8.968 1.00 1.15 O ATOM 1355 CB PRO A 84 -5.339 -0.766 -10.420 1.00 1.58 C ATOM 1356 CG PRO A 84 -3.916 -0.789 -9.961 1.00 1.75 C ATOM 1357 CD PRO A 84 -3.188 0.242 -10.775 1.00 1.64 C ATOM 0 HA PRO A 84 -6.302 0.747 -11.688 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -6.019 -1.044 -9.615 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -5.503 -1.472 -11.234 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -3.848 -0.562 -8.897 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -3.478 -1.777 -10.105 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -2.458 0.783 -10.173 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -2.644 -0.214 -11.602 1.00 1.64 H new ATOM 1365 N SER A 85 -7.459 1.540 -9.642 1.00 0.99 N ATOM 1366 CA SER A 85 -8.106 2.285 -8.587 1.00 0.88 C ATOM 1367 C SER A 85 -8.929 1.351 -7.729 1.00 0.63 C ATOM 1368 O SER A 85 -9.814 0.634 -8.206 1.00 0.82 O ATOM 1369 CB SER A 85 -8.993 3.391 -9.129 1.00 1.23 C ATOM 1370 OG SER A 85 -9.392 4.284 -8.102 1.00 1.43 O ATOM 0 H SER A 85 -8.095 1.055 -10.275 1.00 0.99 H new ATOM 0 HA SER A 85 -7.323 2.751 -7.989 1.00 0.88 H new ATOM 0 HB2 SER A 85 -8.459 3.941 -9.904 1.00 1.23 H new ATOM 0 HB3 SER A 85 -9.875 2.955 -9.598 1.00 1.23 H new ATOM 0 HG SER A 85 -8.647 4.420 -7.480 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.601 1.349 -6.470 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.270 0.513 -5.493 1.00 0.64 C ATOM 1378 C PHE A 86 -9.332 1.204 -4.141 1.00 0.57 C ATOM 1379 O PHE A 86 -8.634 2.200 -3.891 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.546 -0.840 -5.372 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.217 -0.774 -4.671 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.136 -0.107 -5.241 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -7.062 -1.366 -3.437 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -4.919 -0.049 -4.587 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -5.859 -1.315 -2.787 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.782 -0.650 -3.355 1.00 0.75 C ATOM 0 H PHE A 86 -7.857 1.929 -6.081 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.292 0.338 -5.830 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -9.191 -1.537 -4.837 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.396 -1.248 -6.371 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -6.249 0.370 -6.203 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -7.897 -1.875 -2.979 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -4.082 0.463 -5.039 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -5.747 -1.795 -1.826 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.838 -0.604 -2.832 1.00 0.75 H new ATOM 1396 N ARG A 87 -10.161 0.658 -3.265 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.310 1.192 -1.934 1.00 0.57 C ATOM 1398 C ARG A 87 -9.966 0.110 -0.926 1.00 0.57 C ATOM 1399 O ARG A 87 -10.329 -1.057 -1.116 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.727 1.693 -1.653 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.292 2.642 -2.701 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.767 1.918 -3.945 1.00 1.24 C ATOM 1403 NE ARG A 87 -13.784 0.925 -3.655 1.00 1.36 N ATOM 1404 CZ ARG A 87 -14.606 0.433 -4.574 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.761 1.074 -5.730 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -15.481 -0.501 -4.231 1.00 2.41 N ATOM 0 H ARG A 87 -10.740 -0.158 -3.460 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.636 2.045 -1.849 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.391 0.832 -1.568 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.733 2.197 -0.687 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -13.123 3.200 -2.270 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -11.528 3.369 -2.977 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -13.164 2.644 -4.655 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -11.917 1.434 -4.426 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.872 0.588 -2.696 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -14.250 1.939 -5.906 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -15.391 0.701 -6.440 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.519 -0.836 -3.268 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -16.117 -0.885 -4.930 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.287 0.478 0.137 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.945 -0.491 1.143 1.00 0.54 C ATOM 1422 C ILE A 88 -9.707 -0.212 2.424 1.00 0.59 C ATOM 1423 O ILE A 88 -9.775 0.928 2.882 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.439 -0.567 1.442 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.825 0.815 1.570 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.720 -1.386 0.374 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.319 0.789 1.776 1.00 0.74 C ATOM 0 H ILE A 88 -8.966 1.428 0.323 1.00 0.52 H new ATOM 0 HA ILE A 88 -9.232 -1.460 0.736 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.316 -1.069 2.402 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -7.052 1.390 0.672 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -7.290 1.335 2.407 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.655 -1.428 0.603 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -7.127 -2.397 0.355 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.863 -0.919 -0.600 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.946 1.810 1.860 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -5.086 0.241 2.689 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.844 0.297 0.927 1.00 0.74 H new ATOM 1439 N LYS A 89 -10.284 -1.261 2.987 1.00 0.62 N ATOM 1440 CA LYS A 89 -11.060 -1.167 4.204 1.00 0.74 C ATOM 1441 C LYS A 89 -10.537 -2.177 5.197 1.00 0.85 C ATOM 1442 O LYS A 89 -10.415 -3.360 4.864 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.527 -1.498 3.905 1.00 0.95 C ATOM 1444 CG LYS A 89 -13.313 -0.384 3.242 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.078 0.446 4.272 1.00 1.68 C ATOM 1446 CE LYS A 89 -15.164 -0.380 4.966 1.00 1.89 C ATOM 1447 NZ LYS A 89 -15.857 0.368 6.041 1.00 2.46 N ATOM 0 H LYS A 89 -10.224 -2.206 2.607 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.981 -0.157 4.607 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.562 -2.378 3.263 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -13.021 -1.765 4.839 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.634 0.261 2.684 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -14.013 -0.809 2.522 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -13.383 0.833 5.017 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.532 1.307 3.782 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -15.896 -0.704 4.226 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -14.716 -1.280 5.387 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -16.868 0.125 6.037 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -15.444 0.116 6.961 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -15.746 1.389 5.880 1.00 2.46 H new ATOM 1461 N PRO A 90 -10.229 -1.758 6.418 1.00 1.06 N ATOM 1462 CA PRO A 90 -9.744 -2.670 7.451 1.00 1.30 C ATOM 1463 C PRO A 90 -10.909 -3.519 7.979 1.00 1.47 C ATOM 1464 O PRO A 90 -11.265 -3.437 9.157 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.197 -1.724 8.536 1.00 1.59 C ATOM 1466 CG PRO A 90 -9.256 -0.349 7.946 1.00 1.77 C ATOM 1467 CD PRO A 90 -10.330 -0.383 6.906 1.00 1.29 C ATOM 0 HA PRO A 90 -8.989 -3.374 7.101 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.795 -1.785 9.446 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.175 -1.990 8.807 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -9.480 0.393 8.712 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -8.298 -0.073 7.506 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -11.313 -0.169 7.326 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -10.156 0.346 6.114 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.496 -4.313 7.082 1.00 1.40 N ATOM 1476 CA LYS A 91 -12.638 -5.174 7.417 1.00 1.72 C ATOM 1477 C LYS A 91 -12.168 -6.466 8.033 1.00 2.02 C ATOM 1478 O LYS A 91 -12.350 -7.549 7.465 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.516 -5.480 6.199 1.00 1.95 C ATOM 1480 CG LYS A 91 -14.202 -4.241 5.634 1.00 2.50 C ATOM 1481 CD LYS A 91 -15.378 -4.600 4.752 1.00 2.94 C ATOM 1482 CE LYS A 91 -16.486 -5.294 5.546 1.00 3.58 C ATOM 1483 NZ LYS A 91 -16.944 -4.485 6.688 1.00 4.13 N ATOM 0 H LYS A 91 -11.198 -4.379 6.109 1.00 1.40 H new ATOM 0 HA LYS A 91 -13.243 -4.622 8.136 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -12.903 -5.936 5.421 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -14.273 -6.212 6.478 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -14.543 -3.609 6.454 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -13.482 -3.658 5.060 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -15.774 -3.697 4.287 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.043 -5.253 3.946 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -17.329 -5.498 4.887 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -16.123 -6.256 5.907 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -17.847 -4.862 7.040 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -16.234 -4.522 7.447 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -17.075 -3.499 6.385 1.00 4.13 H new ATOM 1497 N ASP A 92 -11.601 -6.330 9.197 1.00 2.34 N ATOM 1498 CA ASP A 92 -11.081 -7.437 9.965 1.00 2.92 C ATOM 1499 C ASP A 92 -10.898 -6.917 11.384 1.00 2.79 C ATOM 1500 O ASP A 92 -11.044 -5.711 11.603 1.00 3.27 O ATOM 1501 CB ASP A 92 -9.768 -7.919 9.364 1.00 3.81 C ATOM 1502 CG ASP A 92 -9.448 -9.369 9.691 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -9.244 -9.699 10.876 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -9.377 -10.198 8.755 1.00 5.11 O ATOM 0 H ASP A 92 -11.482 -5.426 9.654 1.00 2.34 H new ATOM 0 HA ASP A 92 -11.755 -8.294 9.959 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -9.807 -7.799 8.281 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -8.958 -7.286 9.726 1.00 3.81 H new ATOM 1509 N PHE A 93 -10.601 -7.781 12.331 1.00 2.71 N ATOM 1510 CA PHE A 93 -10.427 -7.350 13.709 1.00 2.95 C ATOM 1511 C PHE A 93 -9.010 -7.570 14.191 1.00 3.05 C ATOM 1512 O PHE A 93 -8.350 -6.600 14.555 1.00 3.30 O ATOM 1513 CB PHE A 93 -11.419 -8.075 14.619 1.00 3.27 C ATOM 1514 CG PHE A 93 -12.833 -7.596 14.469 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -13.121 -6.535 13.635 1.00 4.40 C ATOM 1516 CD2 PHE A 93 -13.871 -8.202 15.156 1.00 4.41 C ATOM 1517 CE1 PHE A 93 -14.410 -6.084 13.490 1.00 5.30 C ATOM 1518 CE2 PHE A 93 -15.170 -7.753 15.019 1.00 5.31 C ATOM 1519 CZ PHE A 93 -15.437 -6.694 14.187 1.00 5.69 C ATOM 0 H PHE A 93 -10.475 -8.781 12.177 1.00 2.71 H new ATOM 0 HA PHE A 93 -10.624 -6.279 13.749 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -11.382 -9.143 14.405 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -11.109 -7.946 15.656 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -12.323 -6.053 13.090 1.00 4.40 H new ATOM 0 HD2 PHE A 93 -13.662 -9.037 15.808 1.00 4.41 H new ATOM 0 HE1 PHE A 93 -14.621 -5.254 12.832 1.00 5.30 H new ATOM 0 HE2 PHE A 93 -15.971 -8.232 15.563 1.00 5.31 H new ATOM 0 HZ PHE A 93 -16.450 -6.337 14.077 1.00 5.69 H new ATOM 1529 N GLU A 94 -8.558 -8.828 14.163 1.00 3.44 N ATOM 1530 CA GLU A 94 -7.209 -9.216 14.597 1.00 3.96 C ATOM 1531 C GLU A 94 -6.154 -8.194 14.160 1.00 3.75 C ATOM 1532 O GLU A 94 -5.676 -8.234 13.020 1.00 4.15 O ATOM 1533 CB GLU A 94 -6.888 -10.581 14.002 1.00 4.82 C ATOM 1534 CG GLU A 94 -7.885 -11.664 14.378 1.00 5.73 C ATOM 1535 CD GLU A 94 -8.077 -12.697 13.277 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -7.492 -12.534 12.179 1.00 7.20 O ATOM 1537 OE2 GLU A 94 -8.828 -13.669 13.495 1.00 6.69 O ATOM 0 H GLU A 94 -9.121 -9.613 13.836 1.00 3.44 H new ATOM 0 HA GLU A 94 -7.188 -9.255 15.686 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -6.852 -10.494 12.916 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -5.894 -10.885 14.330 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -7.546 -12.165 15.285 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -8.845 -11.203 14.609 1.00 5.73 H new ATOM 1544 N THR A 95 -5.823 -7.276 15.076 1.00 3.56 N ATOM 1545 CA THR A 95 -4.854 -6.198 14.845 1.00 3.57 C ATOM 1546 C THR A 95 -5.405 -5.129 13.904 1.00 3.11 C ATOM 1547 O THR A 95 -5.085 -3.945 14.013 1.00 3.46 O ATOM 1548 CB THR A 95 -3.542 -6.766 14.319 1.00 4.37 C ATOM 1549 OG1 THR A 95 -3.137 -7.881 15.096 1.00 4.92 O ATOM 1550 CG2 THR A 95 -2.421 -5.765 14.329 1.00 4.79 C ATOM 0 H THR A 95 -6.227 -7.261 16.013 1.00 3.56 H new ATOM 0 HA THR A 95 -4.664 -5.713 15.802 1.00 3.57 H new ATOM 0 HB THR A 95 -3.737 -7.056 13.287 1.00 4.37 H new ATOM 0 HG1 THR A 95 -2.294 -8.236 14.745 1.00 4.92 H new ATOM 0 HG21 THR A 95 -1.514 -6.230 13.943 1.00 4.79 H new ATOM 0 HG22 THR A 95 -2.687 -4.914 13.702 1.00 4.79 H new ATOM 0 HG23 THR A 95 -2.247 -5.423 15.349 1.00 4.79 H new ATOM 1558 N SER A 96 -6.239 -5.584 12.995 1.00 2.83 N ATOM 1559 CA SER A 96 -6.892 -4.757 11.990 1.00 2.92 C ATOM 1560 C SER A 96 -7.536 -3.520 12.591 1.00 2.63 C ATOM 1561 O SER A 96 -7.494 -2.456 11.996 1.00 2.95 O ATOM 1562 CB SER A 96 -7.937 -5.586 11.266 1.00 3.49 C ATOM 1563 OG SER A 96 -7.356 -6.281 10.173 1.00 4.05 O ATOM 0 H SER A 96 -6.493 -6.570 12.928 1.00 2.83 H new ATOM 0 HA SER A 96 -6.130 -4.413 11.291 1.00 2.92 H new ATOM 0 HB2 SER A 96 -8.387 -6.298 11.958 1.00 3.49 H new ATOM 0 HB3 SER A 96 -8.738 -4.939 10.908 1.00 3.49 H new ATOM 0 HG SER A 96 -7.628 -5.855 9.333 1.00 4.05 H new ATOM 1569 N GLU A 97 -8.075 -3.662 13.793 1.00 2.52 N ATOM 1570 CA GLU A 97 -8.683 -2.544 14.489 1.00 2.71 C ATOM 1571 C GLU A 97 -7.612 -1.505 14.819 1.00 2.41 C ATOM 1572 O GLU A 97 -7.783 -0.314 14.590 1.00 2.64 O ATOM 1573 CB GLU A 97 -9.347 -3.029 15.760 1.00 3.26 C ATOM 1574 CG GLU A 97 -10.421 -4.074 15.503 1.00 3.93 C ATOM 1575 CD GLU A 97 -11.099 -4.522 16.781 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -10.608 -4.145 17.866 1.00 4.86 O ATOM 1577 OE2 GLU A 97 -12.114 -5.235 16.709 1.00 4.75 O ATOM 0 H GLU A 97 -8.102 -4.544 14.305 1.00 2.52 H new ATOM 0 HA GLU A 97 -9.439 -2.088 13.850 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -8.590 -3.448 16.423 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.790 -2.180 16.280 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -11.167 -3.666 14.821 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -9.975 -4.937 15.008 1.00 3.93 H new ATOM 1584 N TYR A 98 -6.499 -1.986 15.361 1.00 2.15 N ATOM 1585 CA TYR A 98 -5.388 -1.130 15.725 1.00 1.95 C ATOM 1586 C TYR A 98 -4.791 -0.430 14.507 1.00 1.56 C ATOM 1587 O TYR A 98 -4.608 0.793 14.524 1.00 1.45 O ATOM 1588 CB TYR A 98 -4.303 -1.941 16.436 1.00 2.16 C ATOM 1589 CG TYR A 98 -4.779 -2.728 17.636 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -5.261 -2.081 18.775 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -4.774 -4.120 17.617 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -5.702 -2.806 19.869 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -5.203 -4.846 18.717 1.00 4.46 C ATOM 1594 CZ TYR A 98 -5.662 -4.190 19.832 1.00 4.66 C ATOM 1595 OH TYR A 98 -6.096 -4.920 20.916 1.00 5.65 O ATOM 0 H TYR A 98 -6.347 -2.975 15.558 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.773 -0.365 16.400 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -3.859 -2.632 15.720 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -3.513 -1.262 16.756 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -5.290 -1.002 18.803 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -4.432 -4.640 16.735 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -6.075 -2.296 20.745 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -5.176 -5.925 18.697 1.00 4.46 H new ATOM 0 HH TYR A 98 -6.002 -5.877 20.725 1.00 5.65 H new ATOM 1605 N VAL A 99 -4.460 -1.205 13.465 1.00 1.54 N ATOM 1606 CA VAL A 99 -3.840 -0.651 12.249 1.00 1.34 C ATOM 1607 C VAL A 99 -4.783 0.218 11.449 1.00 1.17 C ATOM 1608 O VAL A 99 -4.340 1.100 10.717 1.00 1.04 O ATOM 1609 CB VAL A 99 -3.270 -1.750 11.332 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -2.291 -2.617 12.094 1.00 1.91 C ATOM 1611 CG2 VAL A 99 -4.359 -2.606 10.727 1.00 1.76 C ATOM 0 H VAL A 99 -4.610 -2.214 13.438 1.00 1.54 H new ATOM 0 HA VAL A 99 -3.022 -0.028 12.611 1.00 1.34 H new ATOM 0 HB VAL A 99 -2.750 -1.251 10.514 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -1.897 -3.389 11.433 1.00 1.91 H new ATOM 0 HG12 VAL A 99 -1.470 -2.002 12.463 1.00 1.91 H new ATOM 0 HG13 VAL A 99 -2.800 -3.086 12.936 1.00 1.91 H new ATOM 0 HG21 VAL A 99 -3.911 -3.367 10.088 1.00 1.76 H new ATOM 0 HG22 VAL A 99 -4.927 -3.088 11.523 1.00 1.76 H new ATOM 0 HG23 VAL A 99 -5.026 -1.981 10.133 1.00 1.76 H new ATOM 1621 N ARG A 100 -6.081 -0.011 11.605 1.00 1.36 N ATOM 1622 CA ARG A 100 -7.091 0.780 10.901 1.00 1.42 C ATOM 1623 C ARG A 100 -6.859 2.287 11.129 1.00 1.31 C ATOM 1624 O ARG A 100 -6.717 3.071 10.187 1.00 1.31 O ATOM 1625 CB ARG A 100 -8.476 0.404 11.419 1.00 1.78 C ATOM 1626 CG ARG A 100 -9.609 1.156 10.740 1.00 2.37 C ATOM 1627 CD ARG A 100 -10.970 0.641 11.219 1.00 3.01 C ATOM 1628 NE ARG A 100 -11.133 0.752 12.682 1.00 3.48 N ATOM 1629 CZ ARG A 100 -12.228 0.385 13.346 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -13.083 -0.458 12.777 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -12.271 0.561 14.662 1.00 4.93 N ATOM 0 H ARG A 100 -6.462 -0.737 12.212 1.00 1.36 H new ATOM 0 HA ARG A 100 -7.017 0.570 9.834 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -8.628 -0.666 11.280 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -8.517 0.595 12.491 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -9.523 2.221 10.953 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -9.532 1.040 9.659 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -11.762 1.203 10.725 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -11.086 -0.401 10.922 1.00 3.01 H new ATOM 0 HE ARG A 100 -10.356 1.135 13.220 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -12.898 -0.818 11.841 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -13.925 -0.746 13.277 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -11.474 0.971 15.148 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -13.101 0.286 15.186 1.00 4.93 H new ATOM 1645 N LYS A 101 -6.833 2.684 12.401 1.00 1.34 N ATOM 1646 CA LYS A 101 -6.621 4.079 12.776 1.00 1.43 C ATOM 1647 C LYS A 101 -5.162 4.496 12.567 1.00 1.27 C ATOM 1648 O LYS A 101 -4.856 5.687 12.516 1.00 1.40 O ATOM 1649 CB LYS A 101 -7.012 4.262 14.231 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.046 5.695 14.709 1.00 2.35 C ATOM 1651 CD LYS A 101 -7.403 5.761 16.191 1.00 2.61 C ATOM 1652 CE LYS A 101 -6.312 5.133 17.037 1.00 2.79 C ATOM 1653 NZ LYS A 101 -6.783 4.870 18.422 1.00 3.24 N ATOM 0 H LYS A 101 -6.957 2.053 13.193 1.00 1.34 H new ATOM 0 HA LYS A 101 -7.239 4.712 12.140 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -7.996 3.820 14.385 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -6.311 3.704 14.853 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -6.075 6.162 14.543 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.775 6.260 14.129 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -7.548 6.800 16.489 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.347 5.245 16.365 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -5.986 4.199 16.579 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -5.446 5.794 17.065 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -6.014 4.441 18.975 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -7.071 5.765 18.867 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -7.594 4.220 18.395 1.00 3.24 H new ATOM 1667 N ALA A 102 -4.271 3.522 12.486 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.857 3.813 12.326 1.00 1.11 C ATOM 1669 C ALA A 102 -2.394 3.868 10.871 1.00 0.99 C ATOM 1670 O ALA A 102 -1.213 4.048 10.610 1.00 1.28 O ATOM 1671 CB ALA A 102 -2.020 2.812 13.111 1.00 1.22 C ATOM 0 H ALA A 102 -4.500 2.529 12.528 1.00 1.11 H new ATOM 0 HA ALA A 102 -2.709 4.817 12.725 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.962 3.042 12.982 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -2.278 2.872 14.168 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -2.220 1.805 12.745 1.00 1.22 H new ATOM 1677 N TRP A 103 -3.298 3.710 9.914 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.887 3.752 8.507 1.00 1.01 C ATOM 1679 C TRP A 103 -3.122 5.122 7.891 1.00 0.93 C ATOM 1680 O TRP A 103 -2.313 5.595 7.087 1.00 1.00 O ATOM 1681 CB TRP A 103 -3.587 2.675 7.675 1.00 1.40 C ATOM 1682 CG TRP A 103 -2.716 1.471 7.482 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -2.526 0.451 8.357 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.861 1.199 6.368 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -1.638 -0.445 7.851 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -1.212 -0.015 6.627 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.610 1.850 5.172 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 -0.296 -0.575 5.736 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.703 1.292 4.287 1.00 0.73 C ATOM 1690 CH2 TRP A 103 -0.067 0.089 4.571 1.00 0.98 C ATOM 0 H TRP A 103 -4.294 3.556 10.072 1.00 0.97 H new ATOM 0 HA TRP A 103 -1.816 3.549 8.494 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -4.513 2.379 8.168 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.860 3.086 6.703 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -3.011 0.364 9.318 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -1.337 -1.303 8.313 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -2.112 2.776 4.934 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.212 -1.501 5.963 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.486 1.801 3.359 1.00 0.73 H new ATOM 0 HH2 TRP A 103 0.623 -0.327 3.852 1.00 0.98 H new ATOM 1701 N LEU A 104 -4.214 5.772 8.274 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.514 7.087 7.722 1.00 1.12 C ATOM 1703 C LEU A 104 -3.440 8.109 8.099 1.00 1.10 C ATOM 1704 O LEU A 104 -3.208 9.084 7.377 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.893 7.572 8.152 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.411 7.054 9.482 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -6.220 8.112 10.578 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -7.878 6.699 9.336 1.00 1.69 C ATOM 0 H LEU A 104 -4.893 5.420 8.949 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.517 6.986 6.637 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.873 8.661 8.195 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -6.608 7.296 7.377 1.00 1.35 H new ATOM 0 HG LEU A 104 -5.850 6.165 9.771 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -6.596 7.726 11.526 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -5.160 8.346 10.677 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -6.768 9.016 10.311 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -8.258 6.326 10.287 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -8.440 7.586 9.043 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -7.992 5.929 8.573 1.00 1.69 H new ATOM 1720 N ARG A 105 -2.742 7.864 9.201 1.00 1.01 N ATOM 1721 CA ARG A 105 -1.681 8.762 9.633 1.00 1.18 C ATOM 1722 C ARG A 105 -0.537 8.717 8.616 1.00 1.08 C ATOM 1723 O ARG A 105 -0.043 9.764 8.180 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.193 8.381 11.037 1.00 1.38 C ATOM 1725 CG ARG A 105 -2.179 8.689 12.148 1.00 2.01 C ATOM 1726 CD ARG A 105 -1.537 8.497 13.519 1.00 2.29 C ATOM 1727 NE ARG A 105 -2.442 8.843 14.613 1.00 2.86 N ATOM 1728 CZ ARG A 105 -3.526 8.148 14.936 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -3.628 6.877 14.579 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -4.291 8.578 15.915 1.00 4.52 N ATOM 0 H ARG A 105 -2.890 7.057 9.807 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.064 9.781 9.685 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -0.968 7.315 11.053 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.260 8.907 11.239 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -2.534 9.715 12.049 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -3.050 8.040 12.056 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -1.221 7.459 13.627 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -0.639 9.112 13.586 1.00 2.29 H new ATOM 0 HE ARG A 105 -2.227 9.673 15.165 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.874 6.432 14.056 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -4.461 6.343 14.827 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -4.048 9.434 16.414 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -5.127 8.056 16.176 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.157 7.500 8.209 1.00 0.95 N ATOM 1745 CA ASP A 106 0.898 7.312 7.203 1.00 0.99 C ATOM 1746 C ASP A 106 0.409 7.731 5.835 1.00 0.96 C ATOM 1747 O ASP A 106 1.192 8.080 4.959 1.00 1.17 O ATOM 1748 CB ASP A 106 1.402 5.871 7.175 1.00 1.09 C ATOM 1749 CG ASP A 106 2.269 5.539 8.385 1.00 1.46 C ATOM 1750 OD1 ASP A 106 1.769 5.621 9.523 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.461 5.207 8.198 1.00 1.76 O ATOM 0 H ASP A 106 -0.562 6.632 8.559 1.00 0.95 H new ATOM 0 HA ASP A 106 1.737 7.948 7.485 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.551 5.191 7.143 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.976 5.707 6.263 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.902 7.726 5.671 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.505 8.157 4.417 1.00 1.04 C ATOM 1758 C ILE A 107 -1.281 9.656 4.262 1.00 1.23 C ATOM 1759 O ILE A 107 -1.043 10.161 3.172 1.00 1.43 O ATOM 1760 CB ILE A 107 -3.007 7.784 4.349 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -3.196 6.523 3.490 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.859 8.925 3.806 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -2.343 5.350 3.923 1.00 1.45 C ATOM 0 H ILE A 107 -1.568 7.431 6.384 1.00 0.92 H new ATOM 0 HA ILE A 107 -1.030 7.637 3.585 1.00 1.04 H new ATOM 0 HB ILE A 107 -3.343 7.586 5.367 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -4.245 6.228 3.522 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -2.964 6.764 2.453 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.904 8.617 3.777 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.756 9.796 4.453 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.528 9.179 2.799 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -2.534 4.500 3.268 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -1.290 5.625 3.864 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -2.590 5.080 4.950 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.308 10.354 5.398 1.00 1.25 N ATOM 1776 CA ALA A 108 -1.055 11.782 5.435 1.00 1.52 C ATOM 1777 C ALA A 108 0.437 12.051 5.211 1.00 1.59 C ATOM 1778 O ALA A 108 0.825 12.990 4.523 1.00 1.92 O ATOM 1779 CB ALA A 108 -1.484 12.355 6.779 1.00 1.62 C ATOM 0 H ALA A 108 -1.505 9.942 6.310 1.00 1.25 H new ATOM 0 HA ALA A 108 -1.631 12.263 4.644 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -1.290 13.427 6.796 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -2.549 12.177 6.927 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -0.921 11.872 7.577 1.00 1.62 H new ATOM 1785 N GLU A 109 1.257 11.188 5.810 1.00 1.39 N ATOM 1786 CA GLU A 109 2.709 11.276 5.739 1.00 1.50 C ATOM 1787 C GLU A 109 3.239 10.855 4.368 1.00 1.43 C ATOM 1788 O GLU A 109 4.465 10.774 4.187 1.00 1.70 O ATOM 1789 CB GLU A 109 3.325 10.336 6.776 1.00 1.69 C ATOM 1790 CG GLU A 109 3.090 10.732 8.228 1.00 1.73 C ATOM 1791 CD GLU A 109 4.087 11.738 8.747 1.00 2.07 C ATOM 1792 OE1 GLU A 109 4.082 12.895 8.288 1.00 2.40 O ATOM 1793 OE2 GLU A 109 4.885 11.372 9.643 1.00 2.56 O ATOM 0 H GLU A 109 0.924 10.399 6.364 1.00 1.39 H new ATOM 0 HA GLU A 109 2.980 12.315 5.925 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.924 9.335 6.619 1.00 1.69 H new ATOM 0 HB3 GLU A 109 4.399 10.280 6.600 1.00 1.69 H new ATOM 0 HG2 GLU A 109 2.086 11.144 8.326 1.00 1.73 H new ATOM 0 HG3 GLU A 109 3.130 9.838 8.851 1.00 1.73 H new ATOM 1800 N GLU A 110 2.340 10.557 3.427 1.00 1.49 N ATOM 1801 CA GLU A 110 2.756 10.102 2.114 1.00 1.63 C ATOM 1802 C GLU A 110 3.614 11.154 1.427 1.00 1.78 C ATOM 1803 O GLU A 110 3.181 12.266 1.130 1.00 2.20 O ATOM 1804 CB GLU A 110 1.552 9.674 1.247 1.00 2.09 C ATOM 1805 CG GLU A 110 0.625 10.807 0.820 1.00 2.83 C ATOM 1806 CD GLU A 110 0.638 11.025 -0.680 1.00 3.38 C ATOM 1807 OE1 GLU A 110 0.393 10.056 -1.433 1.00 3.86 O ATOM 1808 OE2 GLU A 110 0.887 12.167 -1.124 1.00 3.86 O ATOM 0 H GLU A 110 1.330 10.624 3.555 1.00 1.49 H new ATOM 0 HA GLU A 110 3.371 9.212 2.246 1.00 1.63 H new ATOM 0 HB2 GLU A 110 1.927 9.176 0.353 1.00 2.09 H new ATOM 0 HB3 GLU A 110 0.969 8.938 1.801 1.00 2.09 H new ATOM 0 HG2 GLU A 110 -0.392 10.584 1.144 1.00 2.83 H new ATOM 0 HG3 GLU A 110 0.924 11.727 1.322 1.00 2.83 H new ATOM 1815 N GLN A 111 4.864 10.768 1.220 1.00 1.93 N ATOM 1816 CA GLN A 111 5.879 11.596 0.598 1.00 2.44 C ATOM 1817 C GLN A 111 6.107 12.916 1.333 1.00 2.84 C ATOM 1818 O GLN A 111 6.761 13.809 0.801 1.00 3.22 O ATOM 1819 CB GLN A 111 5.573 11.838 -0.884 1.00 2.97 C ATOM 1820 CG GLN A 111 6.831 12.114 -1.681 1.00 3.66 C ATOM 1821 CD GLN A 111 6.612 12.140 -3.183 1.00 4.54 C ATOM 1822 OE1 GLN A 111 5.834 12.950 -3.701 1.00 5.12 O ATOM 1823 NE2 GLN A 111 7.307 11.256 -3.889 1.00 5.02 N ATOM 0 H GLN A 111 5.207 9.845 1.488 1.00 1.93 H new ATOM 0 HA GLN A 111 6.811 11.036 0.669 1.00 2.44 H new ATOM 0 HB2 GLN A 111 5.065 10.967 -1.297 1.00 2.97 H new ATOM 0 HB3 GLN A 111 4.889 12.681 -0.981 1.00 2.97 H new ATOM 0 HG2 GLN A 111 7.246 13.072 -1.367 1.00 3.66 H new ATOM 0 HG3 GLN A 111 7.574 11.352 -1.445 1.00 3.66 H new ATOM 0 HE21 GLN A 111 7.937 10.608 -3.416 1.00 5.02 H new ATOM 0 HE22 GLN A 111 7.211 11.225 -4.904 1.00 5.02 H new ATOM 1832 N GLU A 112 5.625 13.028 2.567 1.00 3.29 N ATOM 1833 CA GLU A 112 5.864 14.241 3.343 1.00 4.12 C ATOM 1834 C GLU A 112 7.351 14.335 3.612 1.00 4.19 C ATOM 1835 O GLU A 112 7.980 15.374 3.421 1.00 4.69 O ATOM 1836 CB GLU A 112 5.092 14.235 4.673 1.00 5.03 C ATOM 1837 CG GLU A 112 3.629 14.655 4.545 1.00 5.36 C ATOM 1838 CD GLU A 112 3.480 16.098 4.109 1.00 6.31 C ATOM 1839 OE1 GLU A 112 3.880 16.997 4.879 1.00 6.81 O ATOM 1840 OE2 GLU A 112 2.977 16.348 2.993 1.00 6.83 O ATOM 0 H GLU A 112 5.078 12.311 3.043 1.00 3.29 H new ATOM 0 HA GLU A 112 5.512 15.101 2.774 1.00 4.12 H new ATOM 0 HB2 GLU A 112 5.136 13.234 5.102 1.00 5.03 H new ATOM 0 HB3 GLU A 112 5.591 14.904 5.374 1.00 5.03 H new ATOM 0 HG2 GLU A 112 3.129 14.007 3.825 1.00 5.36 H new ATOM 0 HG3 GLU A 112 3.128 14.514 5.503 1.00 5.36 H new ATOM 1847 N LYS A 113 7.904 13.210 4.024 1.00 3.97 N ATOM 1848 CA LYS A 113 9.336 13.083 4.293 1.00 4.36 C ATOM 1849 C LYS A 113 10.084 12.945 2.975 1.00 4.15 C ATOM 1850 O LYS A 113 10.641 11.892 2.689 1.00 4.65 O ATOM 1851 CB LYS A 113 9.608 11.846 5.163 1.00 4.79 C ATOM 1852 CG LYS A 113 8.623 11.687 6.309 1.00 5.55 C ATOM 1853 CD LYS A 113 8.460 12.963 7.107 1.00 5.63 C ATOM 1854 CE LYS A 113 7.333 12.841 8.143 1.00 6.48 C ATOM 1855 NZ LYS A 113 7.583 11.747 9.119 1.00 7.06 N ATOM 0 H LYS A 113 7.377 12.352 4.184 1.00 3.97 H new ATOM 0 HA LYS A 113 9.677 13.971 4.824 1.00 4.36 H new ATOM 0 HB2 LYS A 113 9.572 10.955 4.536 1.00 4.79 H new ATOM 0 HB3 LYS A 113 10.618 11.910 5.568 1.00 4.79 H new ATOM 0 HG2 LYS A 113 7.654 11.382 5.913 1.00 5.55 H new ATOM 0 HG3 LYS A 113 8.963 10.889 6.969 1.00 5.55 H new ATOM 0 HD2 LYS A 113 9.396 13.199 7.613 1.00 5.63 H new ATOM 0 HD3 LYS A 113 8.246 13.791 6.431 1.00 5.63 H new ATOM 0 HE2 LYS A 113 7.229 13.785 8.677 1.00 6.48 H new ATOM 0 HE3 LYS A 113 6.388 12.659 7.630 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 6.718 11.566 9.667 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 7.857 10.883 8.609 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 8.349 12.026 9.764 1.00 7.06 H new ATOM 1869 N TYR A 114 10.073 14.001 2.165 1.00 3.80 N ATOM 1870 CA TYR A 114 10.740 14.007 0.857 1.00 4.21 C ATOM 1871 C TYR A 114 12.254 14.038 0.998 1.00 4.57 C ATOM 1872 O TYR A 114 12.935 14.828 0.347 1.00 5.17 O ATOM 1873 CB TYR A 114 10.245 15.190 0.017 1.00 4.58 C ATOM 1874 CG TYR A 114 10.524 15.033 -1.464 1.00 5.45 C ATOM 1875 CD1 TYR A 114 10.012 13.950 -2.167 1.00 5.90 C ATOM 1876 CD2 TYR A 114 11.282 15.966 -2.159 1.00 6.18 C ATOM 1877 CE1 TYR A 114 10.247 13.801 -3.525 1.00 6.94 C ATOM 1878 CE2 TYR A 114 11.527 15.817 -3.520 1.00 7.17 C ATOM 1879 CZ TYR A 114 11.004 14.731 -4.194 1.00 7.49 C ATOM 1880 OH TYR A 114 11.219 14.583 -5.545 1.00 8.62 O ATOM 0 H TYR A 114 9.603 14.877 2.393 1.00 3.80 H new ATOM 0 HA TYR A 114 10.483 13.080 0.344 1.00 4.21 H new ATOM 0 HB2 TYR A 114 9.172 15.309 0.167 1.00 4.58 H new ATOM 0 HB3 TYR A 114 10.720 16.104 0.374 1.00 4.58 H new ATOM 0 HD1 TYR A 114 9.421 13.211 -1.647 1.00 5.90 H new ATOM 0 HD2 TYR A 114 11.687 16.819 -1.635 1.00 6.18 H new ATOM 0 HE1 TYR A 114 9.836 12.955 -4.056 1.00 6.94 H new ATOM 0 HE2 TYR A 114 12.123 16.547 -4.047 1.00 7.17 H new ATOM 0 HH TYR A 114 11.772 15.323 -5.871 1.00 8.62 H new ATOM 1890 N ALA A 115 12.780 13.176 1.845 1.00 4.51 N ATOM 1891 CA ALA A 115 14.215 13.092 2.067 1.00 5.16 C ATOM 1892 C ALA A 115 14.881 12.306 0.944 1.00 5.46 C ATOM 1893 O ALA A 115 14.591 11.123 0.757 1.00 5.73 O ATOM 1894 CB ALA A 115 14.483 12.422 3.391 1.00 5.63 C ATOM 0 H ALA A 115 12.231 12.517 2.397 1.00 4.51 H new ATOM 0 HA ALA A 115 14.630 14.100 2.080 1.00 5.16 H new ATOM 0 HB1 ALA A 115 15.559 12.360 3.556 1.00 5.63 H new ATOM 0 HB2 ALA A 115 14.026 13.003 4.192 1.00 5.63 H new ATOM 0 HB3 ALA A 115 14.058 11.418 3.383 1.00 5.63 H new ATOM 1900 N ALA A 116 15.758 12.966 0.190 1.00 5.86 N ATOM 1901 CA ALA A 116 16.448 12.330 -0.920 1.00 6.58 C ATOM 1902 C ALA A 116 17.937 12.618 -0.893 1.00 7.22 C ATOM 1903 O ALA A 116 18.545 12.941 -1.920 1.00 7.70 O ATOM 1904 CB ALA A 116 15.827 12.783 -2.232 1.00 7.03 C ATOM 0 H ALA A 116 16.005 13.945 0.332 1.00 5.86 H new ATOM 0 HA ALA A 116 16.333 11.250 -0.825 1.00 6.58 H new ATOM 0 HB1 ALA A 116 16.345 12.306 -3.064 1.00 7.03 H new ATOM 0 HB2 ALA A 116 14.774 12.503 -2.252 1.00 7.03 H new ATOM 0 HB3 ALA A 116 15.916 13.866 -2.322 1.00 7.03 H new ATOM 1910 N GLU A 117 18.529 12.474 0.281 1.00 7.53 N ATOM 1911 CA GLU A 117 19.955 12.695 0.435 1.00 8.41 C ATOM 1912 C GLU A 117 20.730 11.682 -0.392 1.00 9.09 C ATOM 1913 O GLU A 117 21.547 12.047 -1.238 1.00 9.58 O ATOM 1914 CB GLU A 117 20.381 12.592 1.901 1.00 8.83 C ATOM 1915 CG GLU A 117 19.506 13.409 2.850 1.00 9.18 C ATOM 1916 CD GLU A 117 18.436 12.563 3.502 1.00 9.82 C ATOM 1917 OE1 GLU A 117 17.644 11.930 2.776 1.00 10.40 O ATOM 1918 OE2 GLU A 117 18.380 12.518 4.752 1.00 9.94 O ATOM 0 H GLU A 117 18.045 12.206 1.138 1.00 7.53 H new ATOM 0 HA GLU A 117 20.176 13.703 0.085 1.00 8.41 H new ATOM 0 HB2 GLU A 117 20.355 11.546 2.206 1.00 8.83 H new ATOM 0 HB3 GLU A 117 21.414 12.926 1.995 1.00 8.83 H new ATOM 0 HG2 GLU A 117 20.131 13.861 3.621 1.00 9.18 H new ATOM 0 HG3 GLU A 117 19.038 14.225 2.300 1.00 9.18 H new ATOM 1925 N ARG A 118 20.446 10.398 -0.152 1.00 9.35 N ATOM 1926 CA ARG A 118 21.098 9.307 -0.857 1.00 10.23 C ATOM 1927 C ARG A 118 20.190 8.087 -0.892 1.00 10.76 C ATOM 1928 O ARG A 118 19.088 8.112 -0.358 1.00 11.00 O ATOM 1929 CB ARG A 118 22.416 8.932 -0.185 1.00 10.61 C ATOM 1930 CG ARG A 118 23.547 9.933 -0.413 1.00 11.18 C ATOM 1931 CD ARG A 118 24.846 9.499 0.240 1.00 11.87 C ATOM 1932 NE ARG A 118 25.910 10.453 -0.024 1.00 12.16 N ATOM 1933 CZ ARG A 118 25.961 11.659 0.498 1.00 12.66 C ATOM 1934 NH1 ARG A 118 25.243 11.938 1.572 1.00 12.91 N ATOM 1935 NH2 ARG A 118 26.919 12.487 0.127 1.00 13.09 N ATOM 0 H ARG A 118 19.758 10.094 0.537 1.00 9.35 H new ATOM 0 HA ARG A 118 21.303 9.642 -1.874 1.00 10.23 H new ATOM 0 HB2 ARG A 118 22.247 8.831 0.887 1.00 10.61 H new ATOM 0 HB3 ARG A 118 22.732 7.955 -0.552 1.00 10.61 H new ATOM 0 HG2 ARG A 118 23.706 10.059 -1.484 1.00 11.18 H new ATOM 0 HG3 ARG A 118 23.253 10.905 -0.018 1.00 11.18 H new ATOM 0 HD2 ARG A 118 24.700 9.401 1.316 1.00 11.87 H new ATOM 0 HD3 ARG A 118 25.134 8.516 -0.134 1.00 11.87 H new ATOM 0 HE ARG A 118 26.662 10.170 -0.652 1.00 12.16 H new ATOM 0 HH11 ARG A 118 24.653 11.220 1.992 1.00 12.91 H new ATOM 0 HH12 ARG A 118 25.279 12.872 1.981 1.00 12.91 H new ATOM 0 HH21 ARG A 118 27.612 12.190 -0.560 1.00 13.09 H new ATOM 0 HH22 ARG A 118 26.966 13.424 0.527 1.00 13.09 H new ATOM 1949 N ASP A 119 20.668 7.020 -1.507 1.00 11.16 N ATOM 1950 CA ASP A 119 19.888 5.787 -1.600 1.00 11.89 C ATOM 1951 C ASP A 119 20.793 4.568 -1.636 1.00 12.21 C ATOM 1952 O ASP A 119 21.718 4.546 -2.477 1.00 0.00 O ATOM 1953 CB ASP A 119 18.999 5.828 -2.850 1.00 12.51 C ATOM 1954 CG ASP A 119 18.035 4.653 -2.941 1.00 13.33 C ATOM 1955 OD1 ASP A 119 18.468 3.537 -3.300 1.00 13.70 O ATOM 1956 OD2 ASP A 119 16.830 4.848 -2.658 1.00 13.75 O ATOM 1957 OXT ASP A 119 20.585 3.642 -0.823 1.00 0.00 O ATOM 0 H ASP A 119 21.586 6.976 -1.949 1.00 11.16 H new ATOM 0 HA ASP A 119 19.259 5.710 -0.713 1.00 11.89 H new ATOM 0 HB2 ASP A 119 18.430 6.757 -2.852 1.00 12.51 H new ATOM 0 HB3 ASP A 119 19.632 5.840 -3.737 1.00 12.51 H new TER 1962 ASP A 119