USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=30 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 63 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.9!) USER MOD Set 1.2: A 79 GLN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0.188 USER MOD Set 2.2: A 111 GLN : amide:sc= -5.06! C(o=-4.9!,f=-6.6!) USER MOD Set 3.1: A 52 THR OG1 : rot -101:sc= 1.25 USER MOD Set 3.2: A 55 SER OG : rot 180:sc= -0.051 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0346 (180deg=-0.319) USER MOD Single : A 1 MET N :NH3+ -155:sc= 1.11 (180deg=0.7) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -134:sc= -1.27 (180deg=-3.81!) USER MOD Single : A 13 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=-0.015) USER MOD Single : A 17 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.5!) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= 2.47 (180deg=1.96) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.027 K(o=-0.027,f=-0.59) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 167:sc= -0.0607 (180deg=-0.381) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 23:sc= 0.504 USER MOD Single : A 47 SER OG : 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 53 HIS : no HD1:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 46:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 1.25 (180deg=-0.826) USER MOD Single : A 66 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : A 69 THR OG1 : rot 13:sc= 0.684 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.464 K(o=-0.46,f=-1.5) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= -0.296! (180deg=-1.07!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 96 SER OG : rot -59:sc= 0.215 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -107:sc= 0.253 (180deg=-0.984!) USER MOD Single : A 113 LYS NZ :NH3+ -144:sc= 1.26 (180deg=-0.145) USER MOD Single : A 114 TYR OH : rot 180:sc= -0.0494 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.284 -1.104 18.672 1.00 16.25 N ATOM 2 CA MET A 1 8.303 -2.097 18.258 1.00 15.99 C ATOM 3 C MET A 1 7.978 -2.626 16.868 1.00 15.41 C ATOM 4 O MET A 1 6.835 -2.986 16.582 1.00 15.45 O ATOM 5 CB MET A 1 8.327 -3.239 19.279 1.00 16.51 C ATOM 6 CG MET A 1 8.476 -2.764 20.714 1.00 16.79 C ATOM 7 SD MET A 1 8.573 -4.118 21.906 1.00 17.24 S ATOM 8 CE MET A 1 10.130 -4.897 21.471 1.00 17.83 C ATOM 0 H1 MET A 1 7.696 -0.456 19.373 1.00 16.25 H new ATOM 0 H2 MET A 1 6.970 -0.562 17.842 1.00 16.25 H new ATOM 0 H3 MET A 1 6.470 -1.596 19.092 1.00 16.25 H new ATOM 0 HA MET A 1 9.286 -1.628 18.222 1.00 15.99 H new ATOM 0 HB2 MET A 1 7.407 -3.816 19.189 1.00 16.51 H new ATOM 0 HB3 MET A 1 9.150 -3.913 19.040 1.00 16.51 H new ATOM 0 HG2 MET A 1 9.374 -2.152 20.796 1.00 16.79 H new ATOM 0 HG3 MET A 1 7.630 -2.125 20.968 1.00 16.79 H new ATOM 0 HE1 MET A 1 10.441 -5.563 22.276 1.00 17.83 H new ATOM 0 HE2 MET A 1 10.006 -5.471 20.552 1.00 17.83 H new ATOM 0 HE3 MET A 1 10.891 -4.131 21.320 1.00 17.83 H new ATOM 20 N GLY A 2 8.982 -2.646 15.999 1.00 15.02 N ATOM 21 CA GLY A 2 8.790 -3.113 14.640 1.00 14.60 C ATOM 22 C GLY A 2 8.161 -2.048 13.771 1.00 13.81 C ATOM 23 O GLY A 2 7.901 -2.261 12.587 1.00 13.66 O ATOM 0 H GLY A 2 9.932 -2.345 16.214 1.00 15.02 H new ATOM 0 HA2 GLY A 2 9.750 -3.409 14.217 1.00 14.60 H new ATOM 0 HA3 GLY A 2 8.157 -4.000 14.645 1.00 14.60 H new ATOM 27 N ASP A 3 7.902 -0.902 14.381 1.00 13.48 N ATOM 28 CA ASP A 3 7.280 0.218 13.702 1.00 12.89 C ATOM 29 C ASP A 3 8.318 1.231 13.250 1.00 12.18 C ATOM 30 O ASP A 3 7.992 2.212 12.581 1.00 12.23 O ATOM 31 CB ASP A 3 6.256 0.882 14.629 1.00 13.20 C ATOM 32 CG ASP A 3 6.870 1.400 15.917 1.00 13.55 C ATOM 33 OD1 ASP A 3 7.489 0.600 16.652 1.00 13.96 O ATOM 34 OD2 ASP A 3 6.727 2.605 16.208 1.00 13.59 O ATOM 0 H ASP A 3 8.118 -0.725 15.362 1.00 13.48 H new ATOM 0 HA ASP A 3 6.771 -0.157 12.814 1.00 12.89 H new ATOM 0 HB2 ASP A 3 5.779 1.709 14.102 1.00 13.20 H new ATOM 0 HB3 ASP A 3 5.472 0.163 14.870 1.00 13.20 H new ATOM 39 N THR A 4 9.567 0.990 13.629 1.00 11.73 N ATOM 40 CA THR A 4 10.669 1.870 13.276 1.00 11.23 C ATOM 41 C THR A 4 11.990 1.190 13.641 1.00 10.51 C ATOM 42 O THR A 4 12.000 0.238 14.425 1.00 10.53 O ATOM 43 CB THR A 4 10.511 3.222 13.996 1.00 11.64 C ATOM 44 OG1 THR A 4 11.564 4.119 13.677 1.00 12.39 O ATOM 45 CG2 THR A 4 10.460 3.095 15.500 1.00 11.87 C ATOM 0 H THR A 4 9.842 0.182 14.187 1.00 11.73 H new ATOM 0 HA THR A 4 10.666 2.064 12.203 1.00 11.23 H new ATOM 0 HB THR A 4 9.557 3.610 13.639 1.00 11.64 H new ATOM 0 HG1 THR A 4 11.428 4.966 14.151 1.00 12.39 H new ATOM 0 HG21 THR A 4 10.348 4.084 15.945 1.00 11.87 H new ATOM 0 HG22 THR A 4 9.613 2.471 15.784 1.00 11.87 H new ATOM 0 HG23 THR A 4 11.383 2.638 15.858 1.00 11.87 H new ATOM 53 N GLY A 5 13.090 1.663 13.068 1.00 10.10 N ATOM 54 CA GLY A 5 14.386 1.074 13.345 1.00 9.63 C ATOM 55 C GLY A 5 14.721 -0.038 12.373 1.00 9.04 C ATOM 56 O GLY A 5 14.532 0.108 11.165 1.00 9.05 O ATOM 0 H GLY A 5 13.107 2.446 12.415 1.00 10.10 H new ATOM 0 HA2 GLY A 5 15.154 1.846 13.292 1.00 9.63 H new ATOM 0 HA3 GLY A 5 14.397 0.682 14.362 1.00 9.63 H new ATOM 60 N LYS A 6 15.194 -1.162 12.899 1.00 8.78 N ATOM 61 CA LYS A 6 15.518 -2.311 12.063 1.00 8.49 C ATOM 62 C LYS A 6 14.309 -3.237 11.996 1.00 7.56 C ATOM 63 O LYS A 6 13.592 -3.395 12.990 1.00 7.43 O ATOM 64 CB LYS A 6 16.741 -3.070 12.591 1.00 9.13 C ATOM 65 CG LYS A 6 18.054 -2.303 12.474 1.00 9.99 C ATOM 66 CD LYS A 6 19.209 -3.018 13.165 1.00 10.66 C ATOM 67 CE LYS A 6 19.644 -4.261 12.413 1.00 11.46 C ATOM 68 NZ LYS A 6 18.698 -5.392 12.584 1.00 11.90 N ATOM 0 H LYS A 6 15.361 -1.302 13.895 1.00 8.78 H new ATOM 0 HA LYS A 6 15.767 -1.952 11.064 1.00 8.49 H new ATOM 0 HB2 LYS A 6 16.573 -3.322 13.638 1.00 9.13 H new ATOM 0 HB3 LYS A 6 16.833 -4.010 12.047 1.00 9.13 H new ATOM 0 HG2 LYS A 6 18.296 -2.161 11.421 1.00 9.99 H new ATOM 0 HG3 LYS A 6 17.932 -1.311 12.909 1.00 9.99 H new ATOM 0 HD2 LYS A 6 20.054 -2.336 13.256 1.00 10.66 H new ATOM 0 HD3 LYS A 6 18.911 -3.293 14.177 1.00 10.66 H new ATOM 0 HE2 LYS A 6 19.736 -4.026 11.353 1.00 11.46 H new ATOM 0 HE3 LYS A 6 20.632 -4.563 12.759 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 19.230 -6.261 12.792 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 18.050 -5.186 13.371 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 18.150 -5.522 11.709 1.00 11.90 H new ATOM 82 N LEU A 7 14.069 -3.814 10.819 1.00 7.18 N ATOM 83 CA LEU A 7 12.919 -4.694 10.600 1.00 6.55 C ATOM 84 C LEU A 7 11.636 -3.905 10.875 1.00 5.97 C ATOM 85 O LEU A 7 10.661 -4.422 11.427 1.00 6.20 O ATOM 86 CB LEU A 7 13.006 -5.964 11.476 1.00 7.03 C ATOM 87 CG LEU A 7 11.992 -7.071 11.161 1.00 7.64 C ATOM 88 CD1 LEU A 7 12.018 -7.414 9.676 1.00 7.67 C ATOM 89 CD2 LEU A 7 12.296 -8.309 11.994 1.00 8.38 C ATOM 0 H LEU A 7 14.659 -3.687 9.997 1.00 7.18 H new ATOM 0 HA LEU A 7 12.915 -5.034 9.564 1.00 6.55 H new ATOM 0 HB2 LEU A 7 14.009 -6.380 11.379 1.00 7.03 H new ATOM 0 HB3 LEU A 7 12.882 -5.671 12.518 1.00 7.03 H new ATOM 0 HG LEU A 7 10.994 -6.711 11.413 1.00 7.64 H new ATOM 0 HD11 LEU A 7 11.292 -8.201 9.472 1.00 7.67 H new ATOM 0 HD12 LEU A 7 11.766 -6.528 9.093 1.00 7.67 H new ATOM 0 HD13 LEU A 7 13.014 -7.759 9.400 1.00 7.67 H new ATOM 0 HD21 LEU A 7 11.571 -9.090 11.764 1.00 8.38 H new ATOM 0 HD22 LEU A 7 13.299 -8.666 11.762 1.00 8.38 H new ATOM 0 HD23 LEU A 7 12.235 -8.059 13.053 1.00 8.38 H new ATOM 101 N GLY A 8 11.657 -2.635 10.472 1.00 5.56 N ATOM 102 CA GLY A 8 10.520 -1.770 10.660 1.00 5.28 C ATOM 103 C GLY A 8 9.859 -1.494 9.339 1.00 4.37 C ATOM 104 O GLY A 8 8.638 -1.344 9.263 1.00 4.43 O ATOM 0 H GLY A 8 12.454 -2.193 10.014 1.00 5.56 H new ATOM 0 HA2 GLY A 8 9.808 -2.235 11.342 1.00 5.28 H new ATOM 0 HA3 GLY A 8 10.837 -0.834 11.120 1.00 5.28 H new ATOM 108 N ARG A 9 10.698 -1.436 8.300 1.00 3.85 N ATOM 109 CA ARG A 9 10.268 -1.183 6.928 1.00 3.14 C ATOM 110 C ARG A 9 9.836 0.267 6.752 1.00 2.98 C ATOM 111 O ARG A 9 8.987 0.766 7.492 1.00 3.23 O ATOM 112 CB ARG A 9 9.133 -2.128 6.509 1.00 2.97 C ATOM 113 CG ARG A 9 9.561 -3.574 6.322 1.00 3.11 C ATOM 114 CD ARG A 9 8.421 -4.419 5.774 1.00 3.35 C ATOM 115 NE ARG A 9 8.834 -5.791 5.493 1.00 3.78 N ATOM 116 CZ ARG A 9 7.989 -6.772 5.199 1.00 4.27 C ATOM 117 NH1 ARG A 9 6.726 -6.680 5.596 1.00 4.46 N ATOM 118 NH2 ARG A 9 8.472 -7.962 4.879 1.00 4.95 N ATOM 0 H ARG A 9 11.706 -1.565 8.393 1.00 3.85 H new ATOM 0 HA ARG A 9 11.124 -1.375 6.280 1.00 3.14 H new ATOM 0 HB2 ARG A 9 8.346 -2.089 7.262 1.00 2.97 H new ATOM 0 HB3 ARG A 9 8.700 -1.766 5.577 1.00 2.97 H new ATOM 0 HG2 ARG A 9 10.411 -3.619 5.641 1.00 3.11 H new ATOM 0 HG3 ARG A 9 9.895 -3.983 7.275 1.00 3.11 H new ATOM 0 HD2 ARG A 9 7.601 -4.429 6.492 1.00 3.35 H new ATOM 0 HD3 ARG A 9 8.040 -3.962 4.861 1.00 3.35 H new ATOM 0 HE ARG A 9 9.830 -6.009 5.524 1.00 3.78 H new ATOM 0 HH11 ARG A 9 6.415 -5.863 6.121 1.00 4.46 H new ATOM 0 HH12 ARG A 9 6.067 -7.427 5.377 1.00 4.46 H new ATOM 0 HH21 ARG A 9 9.480 -8.115 4.861 1.00 4.95 H new ATOM 0 HH22 ARG A 9 7.836 -8.726 4.651 1.00 4.95 H new ATOM 132 N ILE A 10 10.438 0.934 5.769 1.00 2.78 N ATOM 133 CA ILE A 10 10.124 2.337 5.475 1.00 2.70 C ATOM 134 C ILE A 10 8.612 2.535 5.299 1.00 2.20 C ATOM 135 O ILE A 10 7.916 1.666 4.777 1.00 2.49 O ATOM 136 CB ILE A 10 10.894 2.849 4.221 1.00 2.80 C ATOM 137 CG1 ILE A 10 10.574 4.309 3.909 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.577 2.010 3.005 1.00 2.55 C ATOM 139 CD1 ILE A 10 10.973 5.271 4.999 1.00 3.25 C ATOM 0 H ILE A 10 11.148 0.527 5.160 1.00 2.78 H new ATOM 0 HA ILE A 10 10.453 2.929 6.329 1.00 2.70 H new ATOM 0 HB ILE A 10 11.955 2.765 4.458 1.00 2.80 H new ATOM 0 HG12 ILE A 10 11.080 4.592 2.986 1.00 2.80 H new ATOM 0 HG13 ILE A 10 9.503 4.405 3.728 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.129 2.391 2.146 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.865 0.976 3.191 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.508 2.057 2.799 1.00 2.55 H new ATOM 0 HD11 ILE A 10 10.712 6.287 4.701 1.00 3.25 H new ATOM 0 HD12 ILE A 10 10.447 5.016 5.919 1.00 3.25 H new ATOM 0 HD13 ILE A 10 12.048 5.206 5.166 1.00 3.25 H new ATOM 151 N ILE A 11 8.132 3.663 5.798 1.00 1.98 N ATOM 152 CA ILE A 11 6.718 4.022 5.785 1.00 1.56 C ATOM 153 C ILE A 11 5.935 3.088 6.710 1.00 1.31 C ATOM 154 O ILE A 11 6.067 3.195 7.927 1.00 1.71 O ATOM 155 CB ILE A 11 6.072 4.066 4.368 1.00 1.37 C ATOM 156 CG1 ILE A 11 6.852 5.001 3.433 1.00 1.94 C ATOM 157 CG2 ILE A 11 4.620 4.537 4.470 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.231 5.128 2.056 1.00 2.05 C ATOM 0 H ILE A 11 8.724 4.371 6.233 1.00 1.98 H new ATOM 0 HA ILE A 11 6.665 5.047 6.151 1.00 1.56 H new ATOM 0 HB ILE A 11 6.102 3.059 3.952 1.00 1.37 H new ATOM 0 HG12 ILE A 11 6.914 5.989 3.888 1.00 1.94 H new ATOM 0 HG13 ILE A 11 7.873 4.632 3.331 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.176 4.565 3.475 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.057 3.848 5.099 1.00 1.05 H new ATOM 0 HG23 ILE A 11 4.591 5.535 4.908 1.00 1.05 H new ATOM 0 HD11 ILE A 11 6.832 5.803 1.447 1.00 2.05 H new ATOM 0 HD12 ILE A 11 6.194 4.147 1.582 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.220 5.525 2.148 1.00 2.05 H new ATOM 170 N ARG A 12 5.132 2.179 6.153 1.00 0.96 N ATOM 171 CA ARG A 12 4.334 1.250 6.967 1.00 1.02 C ATOM 172 C ARG A 12 4.004 -0.036 6.213 1.00 0.77 C ATOM 173 O ARG A 12 4.664 -0.396 5.238 1.00 0.91 O ATOM 174 CB ARG A 12 3.007 1.881 7.397 1.00 1.53 C ATOM 175 CG ARG A 12 3.117 3.105 8.277 1.00 2.10 C ATOM 176 CD ARG A 12 3.701 2.774 9.636 1.00 2.67 C ATOM 177 NE ARG A 12 3.899 3.971 10.450 1.00 3.29 N ATOM 178 CZ ARG A 12 4.570 3.989 11.598 1.00 3.98 C ATOM 179 NH1 ARG A 12 5.120 2.876 12.070 1.00 4.30 N ATOM 180 NH2 ARG A 12 4.706 5.126 12.265 1.00 4.72 N ATOM 0 H ARG A 12 5.015 2.064 5.146 1.00 0.96 H new ATOM 0 HA ARG A 12 4.948 1.021 7.838 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.447 2.149 6.501 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.422 1.128 7.925 1.00 1.53 H new ATOM 0 HG2 ARG A 12 3.742 3.851 7.785 1.00 2.10 H new ATOM 0 HG3 ARG A 12 2.130 3.550 8.405 1.00 2.10 H new ATOM 0 HD2 ARG A 12 3.037 2.085 10.159 1.00 2.67 H new ATOM 0 HD3 ARG A 12 4.654 2.261 9.506 1.00 2.67 H new ATOM 0 HE ARG A 12 3.498 4.848 10.117 1.00 3.29 H new ATOM 0 HH11 ARG A 12 5.029 2.002 11.551 1.00 4.30 H new ATOM 0 HH12 ARG A 12 5.634 2.895 12.951 1.00 4.30 H new ATOM 0 HH21 ARG A 12 4.296 5.985 11.898 1.00 4.72 H new ATOM 0 HH22 ARG A 12 5.220 5.142 13.146 1.00 4.72 H new ATOM 194 N HIS A 13 2.951 -0.707 6.688 1.00 0.70 N ATOM 195 CA HIS A 13 2.465 -1.965 6.098 1.00 0.68 C ATOM 196 C HIS A 13 1.132 -2.382 6.721 1.00 0.74 C ATOM 197 O HIS A 13 0.937 -2.211 7.921 1.00 1.04 O ATOM 198 CB HIS A 13 3.470 -3.112 6.314 1.00 0.93 C ATOM 199 CG HIS A 13 3.622 -3.539 7.753 1.00 1.07 C ATOM 200 ND1 HIS A 13 4.347 -2.831 8.688 1.00 1.69 N ATOM 201 CD2 HIS A 13 3.097 -4.598 8.417 1.00 1.46 C ATOM 202 CE1 HIS A 13 4.262 -3.438 9.859 1.00 1.98 C ATOM 203 NE2 HIS A 13 3.511 -4.511 9.722 1.00 1.80 N ATOM 0 H HIS A 13 2.408 -0.396 7.494 1.00 0.70 H new ATOM 0 HA HIS A 13 2.340 -1.782 5.031 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.155 -3.972 5.723 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.444 -2.803 5.934 1.00 0.93 H new ATOM 0 HD2 HIS A 13 2.468 -5.369 7.996 1.00 1.46 H new ATOM 0 HE1 HIS A 13 4.730 -3.109 10.775 1.00 1.98 H new ATOM 0 HE2 HIS A 13 3.276 -5.170 10.465 1.00 1.80 H new ATOM 212 N ASP A 14 0.243 -2.964 5.920 1.00 0.60 N ATOM 213 CA ASP A 14 -1.042 -3.442 6.427 1.00 0.69 C ATOM 214 C ASP A 14 -1.613 -4.507 5.488 1.00 0.61 C ATOM 215 O ASP A 14 -1.127 -4.688 4.367 1.00 0.86 O ATOM 216 CB ASP A 14 -2.040 -2.288 6.608 1.00 0.83 C ATOM 217 CG ASP A 14 -3.147 -2.610 7.608 1.00 1.31 C ATOM 218 OD1 ASP A 14 -3.144 -3.729 8.177 1.00 1.78 O ATOM 219 OD2 ASP A 14 -4.016 -1.739 7.836 1.00 2.03 O ATOM 0 H ASP A 14 0.387 -3.116 4.922 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.875 -3.887 7.408 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.504 -1.400 6.941 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.487 -2.047 5.644 1.00 0.83 H new ATOM 224 N ALA A 15 -2.630 -5.212 5.955 1.00 0.75 N ATOM 225 CA ALA A 15 -3.274 -6.267 5.173 1.00 0.71 C ATOM 226 C ALA A 15 -4.783 -6.050 5.102 1.00 0.68 C ATOM 227 O ALA A 15 -5.396 -5.597 6.068 1.00 0.88 O ATOM 228 CB ALA A 15 -2.961 -7.636 5.762 1.00 0.84 C ATOM 0 H ALA A 15 -3.034 -5.074 6.881 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.877 -6.226 4.159 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.449 -8.408 5.167 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.883 -7.798 5.754 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.327 -7.683 6.788 1.00 0.84 H new ATOM 234 N PHE A 16 -5.377 -6.354 3.951 1.00 0.60 N ATOM 235 CA PHE A 16 -6.809 -6.169 3.771 1.00 0.67 C ATOM 236 C PHE A 16 -7.380 -7.124 2.718 1.00 0.68 C ATOM 237 O PHE A 16 -6.673 -7.975 2.178 1.00 1.00 O ATOM 238 CB PHE A 16 -7.088 -4.716 3.371 1.00 0.77 C ATOM 239 CG PHE A 16 -6.484 -4.338 2.052 1.00 1.09 C ATOM 240 CD1 PHE A 16 -6.932 -4.933 0.897 1.00 1.83 C ATOM 241 CD2 PHE A 16 -5.474 -3.410 1.970 1.00 1.74 C ATOM 242 CE1 PHE A 16 -6.397 -4.610 -0.332 1.00 2.36 C ATOM 243 CE2 PHE A 16 -4.931 -3.076 0.751 1.00 2.26 C ATOM 244 CZ PHE A 16 -5.388 -3.678 -0.405 1.00 2.35 C ATOM 0 H PHE A 16 -4.891 -6.727 3.136 1.00 0.60 H new ATOM 0 HA PHE A 16 -7.301 -6.395 4.717 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -8.166 -4.559 3.328 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -6.700 -4.053 4.144 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -7.720 -5.669 0.953 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -5.104 -2.940 2.869 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -6.767 -5.084 -1.229 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -4.143 -2.339 0.698 1.00 2.26 H new ATOM 0 HZ PHE A 16 -4.956 -3.419 -1.360 1.00 2.35 H new ATOM 254 N GLN A 17 -8.653 -6.916 2.403 1.00 0.59 N ATOM 255 CA GLN A 17 -9.373 -7.670 1.382 1.00 0.60 C ATOM 256 C GLN A 17 -10.564 -6.824 0.950 1.00 0.64 C ATOM 257 O GLN A 17 -11.634 -6.880 1.560 1.00 0.95 O ATOM 258 CB GLN A 17 -9.837 -9.036 1.904 1.00 0.74 C ATOM 259 CG GLN A 17 -10.651 -9.835 0.897 1.00 1.07 C ATOM 260 CD GLN A 17 -11.192 -11.124 1.479 1.00 1.26 C ATOM 261 OE1 GLN A 17 -10.438 -12.000 1.896 1.00 1.81 O ATOM 262 NE2 GLN A 17 -12.510 -11.241 1.515 1.00 1.63 N ATOM 0 H GLN A 17 -9.225 -6.205 2.858 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.714 -7.873 0.538 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.963 -9.619 2.195 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.435 -8.887 2.803 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.481 -9.225 0.540 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.029 -10.064 0.032 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -13.099 -10.489 1.158 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -12.937 -12.084 1.900 1.00 1.63 H new ATOM 271 N VAL A 18 -10.344 -5.970 -0.039 1.00 0.51 N ATOM 272 CA VAL A 18 -11.365 -5.036 -0.490 1.00 0.59 C ATOM 273 C VAL A 18 -11.419 -4.932 -2.016 1.00 0.60 C ATOM 274 O VAL A 18 -10.448 -5.242 -2.708 1.00 1.04 O ATOM 275 CB VAL A 18 -11.062 -3.657 0.129 1.00 0.83 C ATOM 276 CG1 VAL A 18 -9.617 -3.288 -0.126 1.00 0.84 C ATOM 277 CG2 VAL A 18 -11.999 -2.582 -0.385 1.00 1.24 C ATOM 0 H VAL A 18 -9.462 -5.905 -0.547 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.341 -5.399 -0.167 1.00 0.59 H new ATOM 0 HB VAL A 18 -11.228 -3.726 1.204 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -9.408 -2.313 0.313 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -8.965 -4.036 0.325 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -9.436 -3.249 -1.200 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -11.748 -1.628 0.079 1.00 1.24 H new ATOM 0 HG22 VAL A 18 -11.897 -2.498 -1.467 1.00 1.24 H new ATOM 0 HG23 VAL A 18 -13.027 -2.846 -0.137 1.00 1.24 H new ATOM 287 N TRP A 19 -12.599 -4.553 -2.496 1.00 0.63 N ATOM 288 CA TRP A 19 -12.938 -4.418 -3.909 1.00 0.65 C ATOM 289 C TRP A 19 -11.839 -3.793 -4.772 1.00 0.68 C ATOM 290 O TRP A 19 -11.523 -2.611 -4.630 1.00 1.04 O ATOM 291 CB TRP A 19 -14.179 -3.533 -4.013 1.00 0.72 C ATOM 292 CG TRP A 19 -15.322 -3.971 -3.141 1.00 0.75 C ATOM 293 CD1 TRP A 19 -16.240 -4.934 -3.420 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.650 -3.478 -1.830 1.00 0.78 C ATOM 295 NE1 TRP A 19 -17.146 -5.041 -2.394 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.801 -4.159 -1.406 1.00 0.87 C ATOM 297 CE3 TRP A 19 -15.089 -2.515 -0.984 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -17.400 -3.908 -0.176 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.681 -2.272 0.243 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.830 -2.965 0.633 1.00 0.96 C ATOM 0 H TRP A 19 -13.381 -4.321 -1.883 1.00 0.63 H new ATOM 0 HA TRP A 19 -13.094 -5.428 -4.289 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.906 -2.511 -3.749 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.514 -3.516 -5.050 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -16.255 -5.530 -4.321 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.945 -5.674 -2.372 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -14.207 -1.969 -1.284 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -18.288 -4.441 0.130 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -15.250 -1.538 0.907 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -17.277 -2.751 1.593 1.00 0.96 H new ATOM 311 N GLU A 20 -11.321 -4.572 -5.710 1.00 0.69 N ATOM 312 CA GLU A 20 -10.323 -4.090 -6.652 1.00 0.77 C ATOM 313 C GLU A 20 -11.063 -3.696 -7.933 1.00 1.18 C ATOM 314 O GLU A 20 -12.291 -3.805 -7.987 1.00 1.81 O ATOM 315 CB GLU A 20 -9.299 -5.195 -6.939 1.00 1.04 C ATOM 316 CG GLU A 20 -7.854 -4.820 -6.630 1.00 1.26 C ATOM 317 CD GLU A 20 -7.125 -4.218 -7.821 1.00 1.90 C ATOM 318 OE1 GLU A 20 -7.790 -3.821 -8.805 1.00 2.62 O ATOM 319 OE2 GLU A 20 -5.880 -4.139 -7.775 1.00 2.42 O ATOM 0 H GLU A 20 -11.579 -5.550 -5.839 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.783 -3.234 -6.247 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -9.564 -6.077 -6.356 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.371 -5.474 -7.990 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -7.838 -4.108 -5.805 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.318 -5.708 -6.295 1.00 1.26 H new ATOM 326 N GLY A 21 -10.355 -3.215 -8.944 1.00 1.49 N ATOM 327 CA GLY A 21 -11.008 -2.808 -10.176 1.00 1.95 C ATOM 328 C GLY A 21 -10.967 -3.873 -11.247 1.00 2.05 C ATOM 329 O GLY A 21 -11.965 -4.126 -11.930 1.00 2.48 O ATOM 0 H GLY A 21 -9.342 -3.098 -8.936 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -12.047 -2.554 -9.963 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -10.530 -1.904 -10.552 1.00 1.95 H new ATOM 333 N ASP A 22 -9.805 -4.491 -11.397 1.00 2.34 N ATOM 334 CA ASP A 22 -9.605 -5.541 -12.394 1.00 2.75 C ATOM 335 C ASP A 22 -10.373 -6.793 -12.005 1.00 2.43 C ATOM 336 O ASP A 22 -10.485 -7.741 -12.783 1.00 2.85 O ATOM 337 CB ASP A 22 -8.115 -5.881 -12.508 1.00 3.62 C ATOM 338 CG ASP A 22 -7.774 -6.671 -13.762 1.00 4.19 C ATOM 339 OD1 ASP A 22 -8.669 -6.911 -14.593 1.00 4.60 O ATOM 340 OD2 ASP A 22 -6.596 -7.043 -13.935 1.00 4.65 O ATOM 0 H ASP A 22 -8.978 -4.284 -10.838 1.00 2.34 H new ATOM 0 HA ASP A 22 -9.972 -5.177 -13.354 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -7.537 -4.957 -12.500 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -7.812 -6.454 -11.632 1.00 3.62 H new ATOM 345 N GLU A 23 -10.896 -6.797 -10.791 1.00 2.07 N ATOM 346 CA GLU A 23 -11.641 -7.940 -10.286 1.00 2.37 C ATOM 347 C GLU A 23 -12.292 -7.576 -8.953 1.00 1.70 C ATOM 348 O GLU A 23 -11.787 -6.696 -8.260 1.00 1.86 O ATOM 349 CB GLU A 23 -10.669 -9.118 -10.097 1.00 3.34 C ATOM 350 CG GLU A 23 -11.312 -10.497 -10.216 1.00 4.22 C ATOM 351 CD GLU A 23 -11.857 -10.776 -11.602 1.00 5.12 C ATOM 352 OE1 GLU A 23 -11.054 -10.867 -12.552 1.00 5.78 O ATOM 353 OE2 GLU A 23 -13.090 -10.894 -11.748 1.00 5.52 O ATOM 0 H GLU A 23 -10.819 -6.020 -10.135 1.00 2.07 H new ATOM 0 HA GLU A 23 -12.422 -8.221 -10.992 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -9.873 -9.038 -10.837 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -10.202 -9.033 -9.116 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -10.576 -11.259 -9.961 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -12.121 -10.579 -9.490 1.00 4.22 H new ATOM 360 N PRO A 24 -13.420 -8.234 -8.586 1.00 1.42 N ATOM 361 CA PRO A 24 -14.137 -7.981 -7.317 1.00 1.17 C ATOM 362 C PRO A 24 -13.207 -8.004 -6.083 1.00 0.97 C ATOM 363 O PRO A 24 -12.001 -8.201 -6.212 1.00 1.08 O ATOM 364 CB PRO A 24 -15.132 -9.147 -7.257 1.00 1.65 C ATOM 365 CG PRO A 24 -15.398 -9.494 -8.672 1.00 2.09 C ATOM 366 CD PRO A 24 -14.099 -9.268 -9.391 1.00 2.00 C ATOM 0 HA PRO A 24 -14.595 -6.992 -7.296 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -14.715 -9.995 -6.714 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -16.048 -8.858 -6.742 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -15.725 -10.530 -8.768 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -16.190 -8.870 -9.087 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -13.509 -10.183 -9.446 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -14.263 -8.933 -10.415 1.00 2.00 H new ATOM 374 N PRO A 25 -13.761 -7.817 -4.861 1.00 0.88 N ATOM 375 CA PRO A 25 -12.999 -7.816 -3.602 1.00 0.77 C ATOM 376 C PRO A 25 -11.870 -8.843 -3.583 1.00 0.74 C ATOM 377 O PRO A 25 -12.090 -10.054 -3.657 1.00 0.92 O ATOM 378 CB PRO A 25 -14.068 -8.117 -2.540 1.00 0.92 C ATOM 379 CG PRO A 25 -15.346 -8.339 -3.293 1.00 1.08 C ATOM 380 CD PRO A 25 -15.180 -7.608 -4.589 1.00 1.09 C ATOM 0 HA PRO A 25 -12.483 -6.870 -3.437 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.801 -8.998 -1.956 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.167 -7.288 -1.839 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.522 -9.401 -3.462 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.201 -7.958 -2.735 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.813 -8.018 -5.376 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.429 -6.551 -4.498 1.00 1.09 H new ATOM 388 N LYS A 26 -10.652 -8.330 -3.535 1.00 0.65 N ATOM 389 CA LYS A 26 -9.464 -9.157 -3.567 1.00 0.73 C ATOM 390 C LYS A 26 -8.607 -9.008 -2.322 1.00 0.66 C ATOM 391 O LYS A 26 -8.368 -7.896 -1.838 1.00 0.88 O ATOM 392 CB LYS A 26 -8.637 -8.777 -4.776 1.00 0.95 C ATOM 393 CG LYS A 26 -9.135 -9.354 -6.086 1.00 1.34 C ATOM 394 CD LYS A 26 -8.689 -10.791 -6.275 1.00 1.42 C ATOM 395 CE LYS A 26 -8.966 -11.263 -7.689 1.00 1.61 C ATOM 396 NZ LYS A 26 -8.027 -12.330 -8.094 1.00 2.20 N ATOM 0 H LYS A 26 -10.462 -7.330 -3.473 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.791 -10.196 -3.615 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.614 -7.690 -4.858 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -7.610 -9.106 -4.616 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -10.224 -9.305 -6.114 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -8.767 -8.747 -6.913 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -7.624 -10.876 -6.061 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -9.209 -11.434 -5.565 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -9.990 -11.631 -7.757 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -8.883 -10.422 -8.378 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -8.080 -12.466 -9.124 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -7.058 -12.059 -7.830 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -8.281 -13.217 -7.614 1.00 2.20 H new ATOM 410 N LEU A 27 -8.124 -10.136 -1.829 1.00 0.67 N ATOM 411 CA LEU A 27 -7.261 -10.158 -0.664 1.00 0.65 C ATOM 412 C LEU A 27 -5.872 -9.698 -1.096 1.00 0.67 C ATOM 413 O LEU A 27 -5.200 -10.366 -1.890 1.00 1.02 O ATOM 414 CB LEU A 27 -7.234 -11.577 -0.064 1.00 0.76 C ATOM 415 CG LEU A 27 -6.637 -11.705 1.343 1.00 0.93 C ATOM 416 CD1 LEU A 27 -7.158 -12.957 2.036 1.00 1.23 C ATOM 417 CD2 LEU A 27 -5.117 -11.728 1.278 1.00 1.31 C ATOM 0 H LEU A 27 -8.319 -11.056 -2.223 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.631 -9.487 0.111 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -8.255 -11.958 -0.039 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.669 -12.223 -0.736 1.00 0.76 H new ATOM 0 HG LEU A 27 -6.945 -10.836 1.925 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -6.722 -13.029 3.033 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -8.244 -12.903 2.117 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -6.881 -13.837 1.455 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -4.711 -11.819 2.285 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -4.791 -12.577 0.677 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -4.758 -10.804 0.825 1.00 1.31 H new ATOM 429 N ARG A 28 -5.463 -8.529 -0.619 1.00 0.57 N ATOM 430 CA ARG A 28 -4.180 -7.970 -1.010 1.00 0.59 C ATOM 431 C ARG A 28 -3.458 -7.364 0.191 1.00 0.55 C ATOM 432 O ARG A 28 -4.084 -6.816 1.101 1.00 0.64 O ATOM 433 CB ARG A 28 -4.382 -6.913 -2.111 1.00 0.71 C ATOM 434 CG ARG A 28 -5.274 -7.392 -3.253 1.00 1.41 C ATOM 435 CD ARG A 28 -5.127 -6.545 -4.503 1.00 1.72 C ATOM 436 NE ARG A 28 -3.773 -6.607 -5.053 1.00 1.97 N ATOM 437 CZ ARG A 28 -3.470 -6.282 -6.306 1.00 2.42 C ATOM 438 NH1 ARG A 28 -4.427 -6.279 -7.218 1.00 2.77 N ATOM 439 NH2 ARG A 28 -2.211 -6.368 -6.716 1.00 3.18 N ATOM 0 H ARG A 28 -5.998 -7.956 0.034 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.557 -8.774 -1.402 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -4.819 -6.018 -1.669 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.410 -6.628 -2.514 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -5.030 -8.428 -3.490 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -6.314 -7.376 -2.928 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -5.839 -6.883 -5.255 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -5.376 -5.510 -4.270 1.00 1.72 H new ATOM 0 HE ARG A 28 -3.019 -6.917 -4.441 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -5.382 -6.524 -6.956 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -4.210 -6.032 -8.184 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -1.485 -6.681 -6.072 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -1.969 -6.121 -7.676 1.00 3.18 H new ATOM 453 N TYR A 29 -2.138 -7.476 0.183 1.00 0.55 N ATOM 454 CA TYR A 29 -1.307 -6.951 1.260 1.00 0.59 C ATOM 455 C TYR A 29 -0.583 -5.704 0.773 1.00 0.55 C ATOM 456 O TYR A 29 0.121 -5.737 -0.237 1.00 0.70 O ATOM 457 CB TYR A 29 -0.305 -8.017 1.733 1.00 0.71 C ATOM 458 CG TYR A 29 -0.933 -9.179 2.486 1.00 0.77 C ATOM 459 CD1 TYR A 29 -2.301 -9.229 2.726 1.00 1.46 C ATOM 460 CD2 TYR A 29 -0.150 -10.230 2.954 1.00 1.38 C ATOM 461 CE1 TYR A 29 -2.868 -10.283 3.411 1.00 1.63 C ATOM 462 CE2 TYR A 29 -0.714 -11.291 3.642 1.00 1.55 C ATOM 463 CZ TYR A 29 -2.076 -11.309 3.865 1.00 1.26 C ATOM 464 OH TYR A 29 -2.652 -12.359 4.548 1.00 1.58 O ATOM 0 H TYR A 29 -1.614 -7.930 -0.565 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.937 -6.686 2.109 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.228 -8.407 0.866 1.00 0.71 H new ATOM 0 HB3 TYR A 29 0.436 -7.542 2.375 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.931 -8.428 2.370 1.00 1.46 H new ATOM 0 HD2 TYR A 29 0.915 -10.218 2.778 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -3.933 -10.302 3.590 1.00 1.63 H new ATOM 0 HE2 TYR A 29 -0.093 -12.098 4.001 1.00 1.55 H new ATOM 0 HH TYR A 29 -1.959 -13.004 4.801 1.00 1.58 H new ATOM 474 N VAL A 30 -0.798 -4.602 1.467 1.00 0.48 N ATOM 475 CA VAL A 30 -0.202 -3.339 1.072 1.00 0.48 C ATOM 476 C VAL A 30 0.965 -2.921 1.953 1.00 0.49 C ATOM 477 O VAL A 30 0.820 -2.681 3.151 1.00 0.59 O ATOM 478 CB VAL A 30 -1.253 -2.210 1.033 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.602 -0.840 0.976 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.165 -2.403 -0.154 1.00 0.65 C ATOM 0 H VAL A 30 -1.379 -4.555 2.304 1.00 0.48 H new ATOM 0 HA VAL A 30 0.192 -3.504 0.069 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.836 -2.260 1.953 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.374 -0.071 0.950 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.023 -0.697 1.858 1.00 0.60 H new ATOM 0 HG13 VAL A 30 0.014 -0.767 0.080 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -2.906 -1.604 -0.178 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -1.577 -2.381 -1.072 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.672 -3.365 -0.071 1.00 0.65 H new ATOM 490 N PHE A 31 2.112 -2.782 1.314 1.00 0.49 N ATOM 491 CA PHE A 31 3.324 -2.327 1.962 1.00 0.54 C ATOM 492 C PHE A 31 3.804 -1.142 1.161 1.00 0.52 C ATOM 493 O PHE A 31 4.153 -1.299 -0.008 1.00 0.56 O ATOM 494 CB PHE A 31 4.424 -3.397 1.959 1.00 0.61 C ATOM 495 CG PHE A 31 3.987 -4.759 2.418 1.00 0.61 C ATOM 496 CD1 PHE A 31 3.413 -5.651 1.527 1.00 1.22 C ATOM 497 CD2 PHE A 31 4.146 -5.146 3.736 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.008 -6.905 1.944 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.742 -6.397 4.159 1.00 1.49 C ATOM 500 CZ PHE A 31 3.173 -7.279 3.261 1.00 0.85 C ATOM 0 H PHE A 31 2.227 -2.984 0.321 1.00 0.49 H new ATOM 0 HA PHE A 31 3.114 -2.087 3.004 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.824 -3.482 0.949 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.240 -3.059 2.598 1.00 0.61 H new ATOM 0 HD1 PHE A 31 3.280 -5.363 0.495 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.591 -4.462 4.443 1.00 1.44 H new ATOM 0 HE1 PHE A 31 2.563 -7.591 1.239 1.00 1.30 H new ATOM 0 HE2 PHE A 31 3.871 -6.686 5.192 1.00 1.49 H new ATOM 0 HZ PHE A 31 2.858 -8.259 3.589 1.00 0.85 H new ATOM 510 N LEU A 32 3.827 0.040 1.735 1.00 0.57 N ATOM 511 CA LEU A 32 4.282 1.178 0.971 1.00 0.59 C ATOM 512 C LEU A 32 5.724 1.486 1.322 1.00 0.67 C ATOM 513 O LEU A 32 6.043 1.738 2.475 1.00 0.84 O ATOM 514 CB LEU A 32 3.434 2.427 1.220 1.00 0.74 C ATOM 515 CG LEU A 32 1.916 2.252 1.284 1.00 0.98 C ATOM 516 CD1 LEU A 32 1.269 3.601 1.543 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.392 1.679 -0.012 1.00 1.43 C ATOM 0 H LEU A 32 3.546 0.235 2.696 1.00 0.57 H new ATOM 0 HA LEU A 32 4.188 0.914 -0.082 1.00 0.59 H new ATOM 0 HB2 LEU A 32 3.761 2.873 2.160 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.656 3.146 0.432 1.00 0.74 H new ATOM 0 HG LEU A 32 1.673 1.561 2.091 1.00 0.98 H new ATOM 0 HD11 LEU A 32 0.186 3.482 1.590 1.00 1.10 H new ATOM 0 HD12 LEU A 32 1.631 4.003 2.489 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.524 4.288 0.736 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.310 1.562 0.053 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.635 2.354 -0.833 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.852 0.707 -0.193 1.00 1.43 H new ATOM 529 N PHE A 33 6.582 1.481 0.325 1.00 0.75 N ATOM 530 CA PHE A 33 7.983 1.783 0.541 1.00 0.96 C ATOM 531 C PHE A 33 8.301 3.115 -0.120 1.00 1.08 C ATOM 532 O PHE A 33 7.437 3.695 -0.782 1.00 1.56 O ATOM 533 CB PHE A 33 8.865 0.658 -0.013 1.00 1.17 C ATOM 534 CG PHE A 33 8.834 -0.609 0.810 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.204 -0.650 2.047 1.00 2.01 C ATOM 536 CD2 PHE A 33 9.440 -1.762 0.343 1.00 1.79 C ATOM 537 CE1 PHE A 33 8.180 -1.811 2.792 1.00 2.28 C ATOM 538 CE2 PHE A 33 9.418 -2.925 1.084 1.00 2.06 C ATOM 539 CZ PHE A 33 8.786 -2.949 2.309 1.00 2.01 C ATOM 0 H PHE A 33 6.336 1.272 -0.642 1.00 0.75 H new ATOM 0 HA PHE A 33 8.189 1.858 1.609 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.546 0.427 -1.029 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.893 1.014 -0.075 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.726 0.239 2.431 1.00 2.01 H new ATOM 0 HD2 PHE A 33 9.937 -1.751 -0.616 1.00 1.79 H new ATOM 0 HE1 PHE A 33 7.687 -1.827 3.753 1.00 2.28 H new ATOM 0 HE2 PHE A 33 9.896 -3.816 0.705 1.00 2.06 H new ATOM 0 HZ PHE A 33 8.766 -3.860 2.889 1.00 2.01 H new ATOM 549 N ARG A 34 9.524 3.605 0.043 1.00 1.04 N ATOM 550 CA ARG A 34 9.915 4.880 -0.561 1.00 1.17 C ATOM 551 C ARG A 34 10.232 4.674 -2.041 1.00 1.03 C ATOM 552 O ARG A 34 11.183 5.238 -2.582 1.00 1.87 O ATOM 553 CB ARG A 34 11.123 5.486 0.172 1.00 1.83 C ATOM 554 CG ARG A 34 11.385 6.953 -0.162 1.00 2.51 C ATOM 555 CD ARG A 34 12.688 7.457 0.457 1.00 3.05 C ATOM 556 NE ARG A 34 13.080 8.771 -0.051 1.00 3.66 N ATOM 557 CZ ARG A 34 12.388 9.887 0.141 1.00 4.29 C ATOM 558 NH1 ARG A 34 11.629 9.989 1.220 1.00 4.48 N ATOM 559 NH2 ARG A 34 12.796 10.997 -0.452 1.00 5.12 N ATOM 0 H ARG A 34 10.258 3.147 0.582 1.00 1.04 H new ATOM 0 HA ARG A 34 9.084 5.580 -0.470 1.00 1.17 H new ATOM 0 HB2 ARG A 34 10.967 5.392 1.247 1.00 1.83 H new ATOM 0 HB3 ARG A 34 12.012 4.905 -0.073 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.426 7.077 -1.244 1.00 2.51 H new ATOM 0 HG3 ARG A 34 10.554 7.561 0.197 1.00 2.51 H new ATOM 0 HD2 ARG A 34 12.575 7.509 1.540 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.484 6.741 0.253 1.00 3.05 H new ATOM 0 HE ARG A 34 13.944 8.834 -0.589 1.00 3.66 H new ATOM 0 HH11 ARG A 34 11.583 9.218 1.886 1.00 4.48 H new ATOM 0 HH12 ARG A 34 11.089 10.839 1.386 1.00 4.48 H new ATOM 0 HH21 ARG A 34 13.627 10.984 -1.043 1.00 5.12 H new ATOM 0 HH22 ARG A 34 12.279 11.866 -0.318 1.00 5.12 H new ATOM 573 N ASN A 35 9.421 3.860 -2.687 1.00 0.98 N ATOM 574 CA ASN A 35 9.584 3.567 -4.094 1.00 1.38 C ATOM 575 C ASN A 35 8.233 3.654 -4.760 1.00 1.09 C ATOM 576 O ASN A 35 8.027 4.441 -5.682 1.00 1.24 O ATOM 577 CB ASN A 35 10.177 2.170 -4.310 1.00 2.08 C ATOM 578 CG ASN A 35 11.453 1.942 -3.527 1.00 2.84 C ATOM 579 OD1 ASN A 35 11.431 1.799 -2.302 1.00 3.26 O ATOM 580 ND2 ASN A 35 12.576 1.917 -4.222 1.00 3.64 N ATOM 0 H ASN A 35 8.632 3.384 -2.250 1.00 0.98 H new ATOM 0 HA ASN A 35 10.274 4.290 -4.528 1.00 1.38 H new ATOM 0 HB2 ASN A 35 9.441 1.420 -4.021 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.378 2.027 -5.372 1.00 2.08 H new ATOM 0 HD21 ASN A 35 13.467 1.775 -3.746 1.00 3.64 H new ATOM 0 HD22 ASN A 35 12.552 2.039 -5.234 1.00 3.64 H new ATOM 587 N LYS A 36 7.309 2.840 -4.272 1.00 0.89 N ATOM 588 CA LYS A 36 5.956 2.798 -4.784 1.00 0.69 C ATOM 589 C LYS A 36 5.112 1.936 -3.859 1.00 0.66 C ATOM 590 O LYS A 36 5.569 1.538 -2.783 1.00 0.77 O ATOM 591 CB LYS A 36 5.943 2.230 -6.210 1.00 0.80 C ATOM 592 CG LYS A 36 6.464 0.808 -6.313 1.00 1.05 C ATOM 593 CD LYS A 36 6.653 0.388 -7.758 1.00 1.32 C ATOM 594 CE LYS A 36 7.166 -1.041 -7.838 1.00 1.84 C ATOM 595 NZ LYS A 36 7.518 -1.451 -9.220 1.00 2.23 N ATOM 0 H LYS A 36 7.482 2.189 -3.506 1.00 0.89 H new ATOM 0 HA LYS A 36 5.544 3.806 -4.821 1.00 0.69 H new ATOM 0 HB2 LYS A 36 4.923 2.261 -6.593 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.544 2.874 -6.852 1.00 0.80 H new ATOM 0 HG2 LYS A 36 7.413 0.728 -5.783 1.00 1.05 H new ATOM 0 HG3 LYS A 36 5.767 0.128 -5.824 1.00 1.05 H new ATOM 0 HD2 LYS A 36 5.707 0.471 -8.293 1.00 1.32 H new ATOM 0 HD3 LYS A 36 7.357 1.061 -8.249 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.043 -1.143 -7.199 1.00 1.84 H new ATOM 0 HE3 LYS A 36 6.406 -1.717 -7.446 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 7.861 -2.433 -9.214 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 6.677 -1.382 -9.827 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 8.263 -0.826 -9.588 1.00 2.23 H new ATOM 609 N ILE A 37 3.901 1.642 -4.287 1.00 0.61 N ATOM 610 CA ILE A 37 2.992 0.821 -3.503 1.00 0.60 C ATOM 611 C ILE A 37 3.179 -0.651 -3.857 1.00 0.54 C ATOM 612 O ILE A 37 2.755 -1.114 -4.920 1.00 0.75 O ATOM 613 CB ILE A 37 1.530 1.214 -3.757 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.300 2.665 -3.347 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.584 0.289 -3.002 1.00 0.79 C ATOM 616 CD1 ILE A 37 -0.137 3.106 -3.484 1.00 1.01 C ATOM 0 H ILE A 37 3.519 1.960 -5.178 1.00 0.61 H new ATOM 0 HA ILE A 37 3.222 0.983 -2.450 1.00 0.60 H new ATOM 0 HB ILE A 37 1.323 1.113 -4.822 1.00 0.73 H new ATOM 0 HG12 ILE A 37 1.616 2.797 -2.312 1.00 0.85 H new ATOM 0 HG13 ILE A 37 1.931 3.312 -3.957 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.447 0.585 -3.196 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.735 -0.738 -3.336 1.00 0.79 H new ATOM 0 HG23 ILE A 37 0.786 0.356 -1.933 1.00 0.79 H new ATOM 0 HD11 ILE A 37 -0.229 4.147 -3.176 1.00 1.01 H new ATOM 0 HD12 ILE A 37 -0.451 3.006 -4.523 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.770 2.483 -2.852 1.00 1.01 H new ATOM 628 N MET A 38 3.825 -1.379 -2.959 1.00 0.51 N ATOM 629 CA MET A 38 4.083 -2.796 -3.159 1.00 0.59 C ATOM 630 C MET A 38 2.904 -3.625 -2.662 1.00 0.60 C ATOM 631 O MET A 38 2.989 -4.256 -1.611 1.00 0.98 O ATOM 632 CB MET A 38 5.351 -3.223 -2.410 1.00 0.75 C ATOM 633 CG MET A 38 6.608 -2.479 -2.833 1.00 1.40 C ATOM 634 SD MET A 38 7.048 -2.776 -4.561 1.00 1.72 S ATOM 635 CE MET A 38 8.686 -2.053 -4.636 1.00 2.53 C ATOM 0 H MET A 38 4.182 -1.008 -2.079 1.00 0.51 H new ATOM 0 HA MET A 38 4.222 -2.967 -4.227 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.196 -3.072 -1.342 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.506 -4.291 -2.562 1.00 0.75 H new ATOM 0 HG2 MET A 38 6.462 -1.410 -2.678 1.00 1.40 H new ATOM 0 HG3 MET A 38 7.437 -2.783 -2.194 1.00 1.40 H new ATOM 0 HE1 MET A 38 9.177 -2.358 -5.560 1.00 2.53 H new ATOM 0 HE2 MET A 38 8.606 -0.966 -4.610 1.00 2.53 H new ATOM 0 HE3 MET A 38 9.274 -2.394 -3.784 1.00 2.53 H new ATOM 645 N PHE A 39 1.806 -3.625 -3.406 1.00 0.61 N ATOM 646 CA PHE A 39 0.646 -4.396 -2.989 1.00 0.71 C ATOM 647 C PHE A 39 0.431 -5.597 -3.898 1.00 0.72 C ATOM 648 O PHE A 39 0.008 -5.475 -5.051 1.00 1.08 O ATOM 649 CB PHE A 39 -0.624 -3.529 -2.885 1.00 1.11 C ATOM 650 CG PHE A 39 -1.229 -3.067 -4.182 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.570 -2.180 -5.013 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.475 -3.530 -4.562 1.00 1.32 C ATOM 653 CE1 PHE A 39 -1.146 -1.763 -6.199 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.058 -3.119 -5.743 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.394 -2.233 -6.564 1.00 1.57 C ATOM 0 H PHE A 39 1.695 -3.112 -4.281 1.00 0.61 H new ATOM 0 HA PHE A 39 0.852 -4.769 -1.986 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.379 -4.094 -2.338 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.389 -2.649 -2.286 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.405 -1.809 -4.733 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -3.001 -4.225 -3.924 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -0.621 -1.070 -6.840 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.032 -3.491 -6.024 1.00 1.66 H new ATOM 0 HZ PHE A 39 -2.847 -1.907 -7.489 1.00 1.57 H new ATOM 665 N THR A 40 0.732 -6.765 -3.361 1.00 0.63 N ATOM 666 CA THR A 40 0.580 -8.008 -4.085 1.00 0.74 C ATOM 667 C THR A 40 -0.869 -8.481 -4.014 1.00 0.84 C ATOM 668 O THR A 40 -1.724 -7.809 -3.434 1.00 1.16 O ATOM 669 CB THR A 40 1.528 -9.062 -3.504 1.00 0.98 C ATOM 670 OG1 THR A 40 1.838 -8.754 -2.154 1.00 1.45 O ATOM 671 CG2 THR A 40 2.839 -9.200 -4.255 1.00 1.35 C ATOM 0 H THR A 40 1.088 -6.876 -2.412 1.00 0.63 H new ATOM 0 HA THR A 40 0.835 -7.851 -5.133 1.00 0.74 H new ATOM 0 HB THR A 40 0.990 -10.006 -3.593 1.00 0.98 H new ATOM 0 HG1 THR A 40 2.443 -9.436 -1.794 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.452 -9.966 -3.780 1.00 1.35 H new ATOM 0 HG22 THR A 40 2.638 -9.485 -5.288 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.370 -8.248 -4.238 1.00 1.35 H new ATOM 679 N GLU A 41 -1.147 -9.623 -4.611 1.00 1.04 N ATOM 680 CA GLU A 41 -2.492 -10.158 -4.616 1.00 1.27 C ATOM 681 C GLU A 41 -2.479 -11.626 -4.217 1.00 1.20 C ATOM 682 O GLU A 41 -1.600 -12.379 -4.642 1.00 1.66 O ATOM 683 CB GLU A 41 -3.089 -9.993 -6.008 1.00 1.89 C ATOM 684 CG GLU A 41 -4.577 -10.251 -6.080 1.00 2.55 C ATOM 685 CD GLU A 41 -5.114 -10.002 -7.465 1.00 3.05 C ATOM 686 OE1 GLU A 41 -4.857 -8.907 -8.014 1.00 3.56 O ATOM 687 OE2 GLU A 41 -5.780 -10.899 -8.014 1.00 3.46 O ATOM 0 H GLU A 41 -0.459 -10.197 -5.098 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.101 -9.615 -3.893 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -2.890 -8.980 -6.358 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -2.580 -10.673 -6.692 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -4.783 -11.281 -5.788 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -5.094 -9.608 -5.367 1.00 2.55 H new ATOM 694 N GLN A 42 -3.435 -12.034 -3.400 1.00 1.08 N ATOM 695 CA GLN A 42 -3.506 -13.415 -2.962 1.00 1.24 C ATOM 696 C GLN A 42 -4.912 -13.984 -3.124 1.00 1.37 C ATOM 697 O GLN A 42 -5.868 -13.490 -2.533 1.00 1.84 O ATOM 698 CB GLN A 42 -3.039 -13.540 -1.509 1.00 1.58 C ATOM 699 CG GLN A 42 -1.523 -13.451 -1.357 1.00 2.34 C ATOM 700 CD GLN A 42 -1.031 -13.839 0.024 1.00 2.87 C ATOM 701 OE1 GLN A 42 -1.323 -13.169 1.015 1.00 3.26 O ATOM 702 NE2 GLN A 42 -0.271 -14.923 0.094 1.00 3.46 N ATOM 0 H GLN A 42 -4.169 -11.431 -3.029 1.00 1.08 H new ATOM 0 HA GLN A 42 -2.839 -13.999 -3.597 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -3.504 -12.753 -0.915 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -3.383 -14.491 -1.104 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -1.053 -14.099 -2.097 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -1.203 -12.432 -1.575 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -0.054 -15.449 -0.752 1.00 3.46 H new ATOM 0 HE22 GLN A 42 0.096 -15.231 0.994 1.00 3.46 H new ATOM 711 N ASP A 43 -5.013 -15.045 -3.911 1.00 1.32 N ATOM 712 CA ASP A 43 -6.270 -15.738 -4.146 1.00 1.60 C ATOM 713 C ASP A 43 -6.053 -17.172 -3.694 1.00 1.62 C ATOM 714 O ASP A 43 -5.176 -17.851 -4.223 1.00 1.97 O ATOM 715 CB ASP A 43 -6.666 -15.684 -5.637 1.00 2.08 C ATOM 716 CG ASP A 43 -7.985 -14.970 -5.894 1.00 2.50 C ATOM 717 OD1 ASP A 43 -8.647 -14.541 -4.926 1.00 2.87 O ATOM 718 OD2 ASP A 43 -8.357 -14.818 -7.077 1.00 2.96 O ATOM 0 H ASP A 43 -4.220 -15.451 -4.407 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.085 -15.268 -3.596 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -5.876 -15.182 -6.196 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -6.732 -16.701 -6.023 1.00 2.08 H new ATOM 723 N ALA A 44 -6.779 -17.593 -2.665 1.00 1.87 N ATOM 724 CA ALA A 44 -6.612 -18.924 -2.072 1.00 2.28 C ATOM 725 C ALA A 44 -5.341 -18.935 -1.223 1.00 2.75 C ATOM 726 O ALA A 44 -4.730 -17.883 -1.014 1.00 3.39 O ATOM 727 CB ALA A 44 -6.591 -20.034 -3.120 1.00 2.82 C ATOM 0 H ALA A 44 -7.499 -17.027 -2.216 1.00 1.87 H new ATOM 0 HA ALA A 44 -7.476 -19.129 -1.440 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -6.465 -20.998 -2.627 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -7.530 -20.030 -3.674 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -5.763 -19.868 -3.809 1.00 2.82 H new ATOM 733 N SER A 45 -4.938 -20.095 -0.723 1.00 3.20 N ATOM 734 CA SER A 45 -3.742 -20.173 0.105 1.00 4.25 C ATOM 735 C SER A 45 -2.740 -21.180 -0.459 1.00 4.77 C ATOM 736 O SER A 45 -2.951 -22.394 -0.396 1.00 5.30 O ATOM 737 CB SER A 45 -4.118 -20.512 1.551 1.00 4.93 C ATOM 738 OG SER A 45 -5.003 -19.535 2.088 1.00 5.22 O ATOM 0 H SER A 45 -5.414 -20.984 -0.873 1.00 3.20 H new ATOM 0 HA SER A 45 -3.257 -19.197 0.097 1.00 4.25 H new ATOM 0 HB2 SER A 45 -4.589 -21.494 1.588 1.00 4.93 H new ATOM 0 HB3 SER A 45 -3.217 -20.567 2.162 1.00 4.93 H new ATOM 0 HG SER A 45 -5.231 -19.772 3.011 1.00 5.22 H new ATOM 744 N THR A 46 -1.651 -20.639 -1.011 1.00 5.00 N ATOM 745 CA THR A 46 -0.557 -21.412 -1.617 1.00 5.82 C ATOM 746 C THR A 46 -1.068 -22.385 -2.680 1.00 5.62 C ATOM 747 O THR A 46 -0.602 -23.522 -2.786 1.00 5.88 O ATOM 748 CB THR A 46 0.291 -22.130 -0.552 1.00 6.59 C ATOM 749 OG1 THR A 46 -0.517 -22.854 0.355 1.00 6.31 O ATOM 750 CG2 THR A 46 1.155 -21.187 0.259 1.00 7.39 C ATOM 0 H THR A 46 -1.499 -19.631 -1.051 1.00 5.00 H new ATOM 0 HA THR A 46 0.095 -20.699 -2.122 1.00 5.82 H new ATOM 0 HB THR A 46 0.935 -22.803 -1.118 1.00 6.59 H new ATOM 0 HG1 THR A 46 -1.377 -23.062 -0.067 1.00 6.31 H new ATOM 0 HG21 THR A 46 1.727 -21.757 0.991 1.00 7.39 H new ATOM 0 HG22 THR A 46 1.839 -20.659 -0.405 1.00 7.39 H new ATOM 0 HG23 THR A 46 0.521 -20.466 0.775 1.00 7.39 H new ATOM 758 N SER A 47 -2.015 -21.918 -3.477 1.00 5.54 N ATOM 759 CA SER A 47 -2.580 -22.716 -4.548 1.00 5.68 C ATOM 760 C SER A 47 -2.714 -21.846 -5.793 1.00 5.14 C ATOM 761 O SER A 47 -3.106 -20.685 -5.669 1.00 5.00 O ATOM 762 CB SER A 47 -3.941 -23.281 -4.127 1.00 6.41 C ATOM 763 OG SER A 47 -4.415 -24.239 -5.060 1.00 6.89 O ATOM 0 H SER A 47 -2.410 -20.981 -3.399 1.00 5.54 H new ATOM 0 HA SER A 47 -1.924 -23.558 -4.768 1.00 5.68 H new ATOM 0 HB2 SER A 47 -3.857 -23.741 -3.142 1.00 6.41 H new ATOM 0 HB3 SER A 47 -4.662 -22.469 -4.039 1.00 6.41 H new ATOM 0 HG SER A 47 -5.284 -24.582 -4.764 1.00 6.89 H new ATOM 769 N PRO A 48 -2.372 -22.385 -6.992 1.00 5.23 N ATOM 770 CA PRO A 48 -2.444 -21.650 -8.268 1.00 5.13 C ATOM 771 C PRO A 48 -3.707 -20.801 -8.382 1.00 4.48 C ATOM 772 O PRO A 48 -4.806 -21.320 -8.588 1.00 4.75 O ATOM 773 CB PRO A 48 -2.444 -22.774 -9.296 1.00 5.87 C ATOM 774 CG PRO A 48 -1.584 -23.819 -8.678 1.00 6.34 C ATOM 775 CD PRO A 48 -1.873 -23.762 -7.199 1.00 5.91 C ATOM 0 HA PRO A 48 -1.628 -20.937 -8.389 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -3.452 -23.145 -9.484 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -2.043 -22.441 -10.253 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -1.812 -24.805 -9.084 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -0.530 -23.628 -8.879 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -2.615 -24.505 -6.907 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -0.978 -23.957 -6.608 1.00 5.91 H new ATOM 783 N PRO A 49 -3.566 -19.476 -8.201 1.00 4.08 N ATOM 784 CA PRO A 49 -4.670 -18.544 -8.231 1.00 3.90 C ATOM 785 C PRO A 49 -4.803 -17.802 -9.552 1.00 3.66 C ATOM 786 O PRO A 49 -4.252 -18.202 -10.579 1.00 4.13 O ATOM 787 CB PRO A 49 -4.266 -17.566 -7.124 1.00 4.20 C ATOM 788 CG PRO A 49 -2.767 -17.563 -7.118 1.00 4.54 C ATOM 789 CD PRO A 49 -2.311 -18.772 -7.905 1.00 4.40 C ATOM 0 HA PRO A 49 -5.633 -19.037 -8.103 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -4.659 -16.568 -7.319 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -4.661 -17.881 -6.158 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -2.383 -16.646 -7.565 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -2.387 -17.603 -6.097 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -1.787 -18.484 -8.816 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -1.628 -19.394 -7.327 1.00 4.40 H new ATOM 797 N SER A 50 -5.526 -16.706 -9.492 1.00 3.25 N ATOM 798 CA SER A 50 -5.747 -15.851 -10.633 1.00 3.42 C ATOM 799 C SER A 50 -5.530 -14.410 -10.200 1.00 2.88 C ATOM 800 O SER A 50 -6.463 -13.612 -10.128 1.00 3.28 O ATOM 801 CB SER A 50 -7.158 -16.062 -11.187 1.00 4.28 C ATOM 802 OG SER A 50 -7.296 -17.362 -11.741 1.00 4.85 O ATOM 0 H SER A 50 -5.981 -16.381 -8.639 1.00 3.25 H new ATOM 0 HA SER A 50 -5.046 -16.094 -11.432 1.00 3.42 H new ATOM 0 HB2 SER A 50 -7.890 -15.922 -10.392 1.00 4.28 H new ATOM 0 HB3 SER A 50 -7.369 -15.313 -11.950 1.00 4.28 H new ATOM 0 HG SER A 50 -8.206 -17.475 -12.087 1.00 4.85 H new ATOM 808 N TYR A 51 -4.280 -14.098 -9.882 1.00 2.46 N ATOM 809 CA TYR A 51 -3.918 -12.767 -9.428 1.00 2.13 C ATOM 810 C TYR A 51 -3.583 -11.891 -10.624 1.00 2.52 C ATOM 811 O TYR A 51 -3.247 -12.399 -11.697 1.00 3.20 O ATOM 812 CB TYR A 51 -2.715 -12.828 -8.465 1.00 2.21 C ATOM 813 CG TYR A 51 -1.392 -13.158 -9.129 1.00 2.58 C ATOM 814 CD1 TYR A 51 -1.177 -14.372 -9.779 1.00 3.33 C ATOM 815 CD2 TYR A 51 -0.362 -12.232 -9.121 1.00 2.99 C ATOM 816 CE1 TYR A 51 0.028 -14.640 -10.403 1.00 4.15 C ATOM 817 CE2 TYR A 51 0.844 -12.494 -9.736 1.00 3.82 C ATOM 818 CZ TYR A 51 1.034 -13.697 -10.378 1.00 4.30 C ATOM 819 OH TYR A 51 2.231 -13.952 -11.010 1.00 5.34 O ATOM 0 H TYR A 51 -3.500 -14.753 -9.931 1.00 2.46 H new ATOM 0 HA TYR A 51 -4.765 -12.339 -8.892 1.00 2.13 H new ATOM 0 HB2 TYR A 51 -2.623 -11.867 -7.958 1.00 2.21 H new ATOM 0 HB3 TYR A 51 -2.918 -13.575 -7.698 1.00 2.21 H new ATOM 0 HD1 TYR A 51 -1.962 -15.114 -9.796 1.00 3.33 H new ATOM 0 HD2 TYR A 51 -0.506 -11.285 -8.623 1.00 2.99 H new ATOM 0 HE1 TYR A 51 0.180 -15.583 -10.907 1.00 4.15 H new ATOM 0 HE2 TYR A 51 1.635 -11.759 -9.714 1.00 3.82 H new ATOM 0 HH TYR A 51 2.830 -13.185 -10.898 1.00 5.34 H new ATOM 829 N THR A 52 -3.677 -10.582 -10.452 1.00 2.67 N ATOM 830 CA THR A 52 -3.375 -9.664 -11.535 1.00 3.45 C ATOM 831 C THR A 52 -1.878 -9.705 -11.847 1.00 3.24 C ATOM 832 O THR A 52 -1.063 -10.025 -10.973 1.00 3.53 O ATOM 833 CB THR A 52 -3.829 -8.246 -11.177 1.00 4.25 C ATOM 834 OG1 THR A 52 -3.352 -7.882 -9.895 1.00 4.76 O ATOM 835 CG2 THR A 52 -5.334 -8.067 -11.161 1.00 4.89 C ATOM 0 H THR A 52 -3.958 -10.135 -9.579 1.00 2.67 H new ATOM 0 HA THR A 52 -3.920 -9.971 -12.428 1.00 3.45 H new ATOM 0 HB THR A 52 -3.416 -7.613 -11.962 1.00 4.25 H new ATOM 0 HG1 THR A 52 -4.075 -7.972 -9.239 1.00 4.76 H new ATOM 0 HG21 THR A 52 -5.575 -7.037 -10.899 1.00 4.89 H new ATOM 0 HG22 THR A 52 -5.738 -8.295 -12.147 1.00 4.89 H new ATOM 0 HG23 THR A 52 -5.773 -8.741 -10.425 1.00 4.89 H new ATOM 843 N HIS A 53 -1.526 -9.412 -13.093 1.00 3.23 N ATOM 844 CA HIS A 53 -0.132 -9.448 -13.535 1.00 3.30 C ATOM 845 C HIS A 53 0.694 -8.336 -12.897 1.00 2.67 C ATOM 846 O HIS A 53 0.937 -7.294 -13.511 1.00 3.21 O ATOM 847 CB HIS A 53 -0.039 -9.384 -15.068 1.00 4.24 C ATOM 848 CG HIS A 53 -0.700 -10.543 -15.761 1.00 4.85 C ATOM 849 ND1 HIS A 53 -2.070 -10.682 -15.866 1.00 5.28 N ATOM 850 CD2 HIS A 53 -0.171 -11.624 -16.377 1.00 5.52 C ATOM 851 CE1 HIS A 53 -2.348 -11.794 -16.517 1.00 6.09 C ATOM 852 NE2 HIS A 53 -1.215 -12.382 -16.837 1.00 6.21 N ATOM 0 H HIS A 53 -2.189 -9.145 -13.821 1.00 3.23 H new ATOM 0 HA HIS A 53 0.287 -10.398 -13.204 1.00 3.30 H new ATOM 0 HB2 HIS A 53 -0.496 -8.457 -15.413 1.00 4.24 H new ATOM 0 HB3 HIS A 53 1.011 -9.349 -15.359 1.00 4.24 H new ATOM 0 HD2 HIS A 53 0.880 -11.848 -16.486 1.00 5.52 H new ATOM 0 HE1 HIS A 53 -3.337 -12.160 -16.748 1.00 6.09 H new ATOM 0 HE2 HIS A 53 -1.128 -13.262 -17.346 1.00 6.21 H new ATOM 861 N TYR A 54 1.115 -8.588 -11.655 1.00 2.10 N ATOM 862 CA TYR A 54 1.920 -7.655 -10.873 1.00 2.00 C ATOM 863 C TYR A 54 1.374 -6.240 -10.910 1.00 1.62 C ATOM 864 O TYR A 54 1.918 -5.361 -11.578 1.00 1.96 O ATOM 865 CB TYR A 54 3.372 -7.679 -11.338 1.00 2.78 C ATOM 866 CG TYR A 54 4.286 -8.321 -10.331 1.00 3.45 C ATOM 867 CD1 TYR A 54 4.110 -9.647 -9.978 1.00 3.89 C ATOM 868 CD2 TYR A 54 5.311 -7.606 -9.731 1.00 4.24 C ATOM 869 CE1 TYR A 54 4.934 -10.254 -9.056 1.00 4.87 C ATOM 870 CE2 TYR A 54 6.144 -8.205 -8.804 1.00 5.15 C ATOM 871 CZ TYR A 54 5.949 -9.533 -8.470 1.00 5.40 C ATOM 872 OH TYR A 54 6.778 -10.145 -7.553 1.00 6.50 O ATOM 0 H TYR A 54 0.903 -9.455 -11.162 1.00 2.10 H new ATOM 0 HA TYR A 54 1.871 -7.988 -9.836 1.00 2.00 H new ATOM 0 HB2 TYR A 54 3.439 -8.219 -12.282 1.00 2.78 H new ATOM 0 HB3 TYR A 54 3.706 -6.659 -11.530 1.00 2.78 H new ATOM 0 HD1 TYR A 54 3.313 -10.216 -10.433 1.00 3.89 H new ATOM 0 HD2 TYR A 54 5.461 -6.568 -9.991 1.00 4.24 H new ATOM 0 HE1 TYR A 54 4.784 -11.291 -8.794 1.00 4.87 H new ATOM 0 HE2 TYR A 54 6.941 -7.640 -8.344 1.00 5.15 H new ATOM 0 HH TYR A 54 7.444 -9.501 -7.233 1.00 6.50 H new ATOM 882 N SER A 55 0.300 -6.021 -10.178 1.00 1.34 N ATOM 883 CA SER A 55 -0.310 -4.708 -10.121 1.00 1.50 C ATOM 884 C SER A 55 0.290 -3.888 -8.991 1.00 1.20 C ATOM 885 O SER A 55 0.044 -4.160 -7.820 1.00 1.33 O ATOM 886 CB SER A 55 -1.824 -4.827 -9.941 1.00 2.13 C ATOM 887 OG SER A 55 -2.411 -5.517 -11.030 1.00 2.61 O ATOM 0 H SER A 55 -0.167 -6.733 -9.616 1.00 1.34 H new ATOM 0 HA SER A 55 -0.110 -4.198 -11.064 1.00 1.50 H new ATOM 0 HB2 SER A 55 -2.043 -5.353 -9.012 1.00 2.13 H new ATOM 0 HB3 SER A 55 -2.263 -3.833 -9.856 1.00 2.13 H new ATOM 0 HG SER A 55 -3.379 -5.582 -10.892 1.00 2.61 H new ATOM 893 N SER A 56 1.067 -2.885 -9.353 1.00 1.07 N ATOM 894 CA SER A 56 1.685 -2.006 -8.383 1.00 0.91 C ATOM 895 C SER A 56 1.316 -0.574 -8.725 1.00 0.80 C ATOM 896 O SER A 56 0.990 -0.275 -9.876 1.00 0.93 O ATOM 897 CB SER A 56 3.208 -2.183 -8.369 1.00 1.09 C ATOM 898 OG SER A 56 3.822 -1.301 -7.440 1.00 1.73 O ATOM 0 H SER A 56 1.286 -2.659 -10.323 1.00 1.07 H new ATOM 0 HA SER A 56 1.321 -2.254 -7.386 1.00 0.91 H new ATOM 0 HB2 SER A 56 3.454 -3.213 -8.113 1.00 1.09 H new ATOM 0 HB3 SER A 56 3.607 -1.999 -9.367 1.00 1.09 H new ATOM 0 HG SER A 56 3.329 -1.323 -6.593 1.00 1.73 H new ATOM 904 N ILE A 57 1.351 0.305 -7.740 1.00 0.68 N ATOM 905 CA ILE A 57 0.999 1.696 -7.967 1.00 0.67 C ATOM 906 C ILE A 57 2.113 2.648 -7.544 1.00 0.63 C ATOM 907 O ILE A 57 2.373 2.835 -6.352 1.00 0.81 O ATOM 908 CB ILE A 57 -0.318 2.061 -7.246 1.00 0.76 C ATOM 909 CG1 ILE A 57 -1.507 1.426 -7.986 1.00 0.92 C ATOM 910 CG2 ILE A 57 -0.481 3.575 -7.140 1.00 0.82 C ATOM 911 CD1 ILE A 57 -2.860 1.811 -7.439 1.00 0.81 C ATOM 0 H ILE A 57 1.618 0.083 -6.781 1.00 0.68 H new ATOM 0 HA ILE A 57 0.855 1.812 -9.041 1.00 0.67 H new ATOM 0 HB ILE A 57 -0.286 1.665 -6.231 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -1.459 1.711 -9.037 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.407 0.341 -7.945 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -1.416 3.805 -6.629 1.00 0.82 H new ATOM 0 HG22 ILE A 57 0.353 3.992 -6.576 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.497 4.010 -8.139 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -3.641 1.319 -8.019 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.933 1.501 -6.397 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -2.985 2.892 -7.506 1.00 0.81 H new ATOM 923 N ARG A 58 2.784 3.227 -8.529 1.00 0.66 N ATOM 924 CA ARG A 58 3.880 4.151 -8.272 1.00 0.73 C ATOM 925 C ARG A 58 3.412 5.332 -7.420 1.00 0.75 C ATOM 926 O ARG A 58 2.319 5.875 -7.617 1.00 0.91 O ATOM 927 CB ARG A 58 4.514 4.654 -9.581 1.00 0.96 C ATOM 928 CG ARG A 58 3.674 5.658 -10.366 1.00 1.24 C ATOM 929 CD ARG A 58 2.472 5.010 -11.042 1.00 1.86 C ATOM 930 NE ARG A 58 2.879 3.989 -12.001 1.00 2.47 N ATOM 931 CZ ARG A 58 3.534 4.251 -13.130 1.00 2.95 C ATOM 932 NH1 ARG A 58 3.540 5.485 -13.612 1.00 3.22 N ATOM 933 NH2 ARG A 58 3.917 3.255 -13.911 1.00 3.70 N ATOM 0 H ARG A 58 2.588 3.073 -9.518 1.00 0.66 H new ATOM 0 HA ARG A 58 4.642 3.603 -7.718 1.00 0.73 H new ATOM 0 HB2 ARG A 58 5.475 5.112 -9.348 1.00 0.96 H new ATOM 0 HB3 ARG A 58 4.717 3.795 -10.221 1.00 0.96 H new ATOM 0 HG2 ARG A 58 3.329 6.443 -9.693 1.00 1.24 H new ATOM 0 HG3 ARG A 58 4.297 6.137 -11.121 1.00 1.24 H new ATOM 0 HD2 ARG A 58 1.826 4.563 -10.286 1.00 1.86 H new ATOM 0 HD3 ARG A 58 1.885 5.774 -11.551 1.00 1.86 H new ATOM 0 HE ARG A 58 2.648 3.017 -11.794 1.00 2.47 H new ATOM 0 HH11 ARG A 58 3.045 6.228 -13.119 1.00 3.22 H new ATOM 0 HH12 ARG A 58 4.040 5.692 -14.477 1.00 3.22 H new ATOM 0 HH21 ARG A 58 3.710 2.292 -13.647 1.00 3.70 H new ATOM 0 HH22 ARG A 58 4.419 3.450 -14.777 1.00 3.70 H new ATOM 947 N LEU A 59 4.253 5.715 -6.480 1.00 0.85 N ATOM 948 CA LEU A 59 3.970 6.820 -5.578 1.00 1.02 C ATOM 949 C LEU A 59 4.006 8.143 -6.328 1.00 1.15 C ATOM 950 O LEU A 59 3.373 9.122 -5.936 1.00 1.59 O ATOM 951 CB LEU A 59 4.996 6.812 -4.476 1.00 1.28 C ATOM 952 CG LEU A 59 4.419 6.547 -3.095 1.00 1.35 C ATOM 953 CD1 LEU A 59 3.510 7.676 -2.659 1.00 1.79 C ATOM 954 CD2 LEU A 59 3.677 5.227 -3.050 1.00 1.35 C ATOM 0 H LEU A 59 5.156 5.269 -6.318 1.00 0.85 H new ATOM 0 HA LEU A 59 2.972 6.704 -5.155 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.746 6.052 -4.697 1.00 1.28 H new ATOM 0 HB3 LEU A 59 5.510 7.773 -4.465 1.00 1.28 H new ATOM 0 HG LEU A 59 5.256 6.489 -2.399 1.00 1.35 H new ATOM 0 HD11 LEU A 59 3.111 7.460 -1.668 1.00 1.79 H new ATOM 0 HD12 LEU A 59 4.076 8.607 -2.628 1.00 1.79 H new ATOM 0 HD13 LEU A 59 2.687 7.775 -3.367 1.00 1.79 H new ATOM 0 HD21 LEU A 59 3.277 5.068 -2.048 1.00 1.35 H new ATOM 0 HD22 LEU A 59 2.858 5.245 -3.769 1.00 1.35 H new ATOM 0 HD23 LEU A 59 4.361 4.416 -3.300 1.00 1.35 H new ATOM 966 N ASP A 60 4.797 8.146 -7.394 1.00 1.13 N ATOM 967 CA ASP A 60 5.012 9.316 -8.233 1.00 1.33 C ATOM 968 C ASP A 60 3.722 9.976 -8.727 1.00 1.33 C ATOM 969 O ASP A 60 3.587 11.194 -8.644 1.00 1.56 O ATOM 970 CB ASP A 60 5.857 8.916 -9.438 1.00 1.46 C ATOM 971 CG ASP A 60 6.451 10.106 -10.164 1.00 1.90 C ATOM 972 OD1 ASP A 60 5.688 10.956 -10.657 1.00 2.52 O ATOM 973 OD2 ASP A 60 7.692 10.190 -10.255 1.00 2.27 O ATOM 0 H ASP A 60 5.314 7.323 -7.703 1.00 1.13 H new ATOM 0 HA ASP A 60 5.519 10.053 -7.610 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.662 8.259 -9.109 1.00 1.46 H new ATOM 0 HB3 ASP A 60 5.242 8.343 -10.132 1.00 1.46 H new ATOM 978 N LYS A 61 2.794 9.213 -9.298 1.00 1.22 N ATOM 979 CA LYS A 61 1.596 9.844 -9.847 1.00 1.28 C ATOM 980 C LYS A 61 0.270 9.190 -9.466 1.00 1.06 C ATOM 981 O LYS A 61 -0.471 8.712 -10.328 1.00 1.27 O ATOM 982 CB LYS A 61 1.726 9.941 -11.365 1.00 1.60 C ATOM 983 CG LYS A 61 2.693 11.024 -11.820 1.00 1.93 C ATOM 984 CD LYS A 61 2.885 10.999 -13.320 1.00 2.55 C ATOM 985 CE LYS A 61 3.507 9.696 -13.789 1.00 3.16 C ATOM 986 NZ LYS A 61 3.765 9.718 -15.247 1.00 3.92 N ATOM 0 H LYS A 61 2.841 8.198 -9.392 1.00 1.22 H new ATOM 0 HA LYS A 61 1.551 10.832 -9.389 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.059 8.979 -11.756 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.744 10.137 -11.795 1.00 1.60 H new ATOM 0 HG2 LYS A 61 2.316 12.001 -11.516 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.655 10.886 -11.326 1.00 1.93 H new ATOM 0 HD2 LYS A 61 1.922 11.140 -13.812 1.00 2.55 H new ATOM 0 HD3 LYS A 61 3.520 11.833 -13.619 1.00 2.55 H new ATOM 0 HE2 LYS A 61 4.441 9.523 -13.255 1.00 3.16 H new ATOM 0 HE3 LYS A 61 2.843 8.866 -13.547 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 3.467 8.814 -15.666 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 3.229 10.495 -15.683 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 4.781 9.860 -15.418 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.074 9.268 -8.194 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.360 8.782 -7.729 1.00 0.69 C ATOM 1002 C TYR A 62 -1.805 9.638 -6.547 1.00 0.67 C ATOM 1003 O TYR A 62 -0.986 10.024 -5.711 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.342 7.284 -7.368 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.992 6.976 -5.924 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.311 7.082 -5.447 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -1.985 6.601 -5.029 1.00 1.46 C ATOM 1008 CE1 TYR A 62 0.603 6.824 -4.120 1.00 1.84 C ATOM 1009 CE2 TYR A 62 -1.698 6.339 -3.706 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.404 6.455 -3.255 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.111 6.205 -1.930 1.00 2.21 O ATOM 0 H TYR A 62 0.519 9.663 -7.464 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.078 8.872 -8.544 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.323 6.861 -7.586 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.626 6.778 -8.015 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.104 7.369 -6.121 1.00 1.49 H new ATOM 0 HD2 TYR A 62 -3.004 6.513 -5.376 1.00 1.46 H new ATOM 0 HE1 TYR A 62 1.618 6.912 -3.762 1.00 1.84 H new ATOM 0 HE2 TYR A 62 -2.485 6.044 -3.028 1.00 1.79 H new ATOM 0 HH TYR A 62 -0.931 5.958 -1.455 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.088 9.939 -6.482 1.00 0.64 N ATOM 1022 CA ASN A 63 -3.624 10.742 -5.398 1.00 0.73 C ATOM 1023 C ASN A 63 -4.275 9.828 -4.383 1.00 0.64 C ATOM 1024 O ASN A 63 -5.237 9.124 -4.691 1.00 0.73 O ATOM 1025 CB ASN A 63 -4.642 11.776 -5.898 1.00 0.89 C ATOM 1026 CG ASN A 63 -4.051 12.765 -6.888 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -3.737 12.416 -8.024 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -3.894 14.007 -6.462 1.00 2.13 N ATOM 0 H ASN A 63 -3.780 9.639 -7.168 1.00 0.64 H new ATOM 0 HA ASN A 63 -2.801 11.292 -4.941 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.477 11.257 -6.367 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -5.045 12.322 -5.045 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -3.500 14.713 -7.084 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -4.167 14.259 -5.512 1.00 2.13 H new ATOM 1035 N ILE A 64 -3.735 9.812 -3.183 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.263 8.950 -2.153 1.00 0.70 C ATOM 1037 C ILE A 64 -5.207 9.707 -1.222 1.00 0.79 C ATOM 1038 O ILE A 64 -4.792 10.510 -0.390 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.119 8.253 -1.373 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -3.678 7.250 -0.364 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -2.185 9.256 -0.689 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.332 6.045 -1.012 1.00 1.18 C ATOM 0 H ILE A 64 -2.938 10.382 -2.900 1.00 0.74 H new ATOM 0 HA ILE A 64 -4.851 8.170 -2.637 1.00 0.70 H new ATOM 0 HB ILE A 64 -2.520 7.710 -2.104 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -2.871 6.911 0.285 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -4.408 7.753 0.271 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -1.401 8.718 -0.156 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -1.734 9.904 -1.440 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -2.754 9.860 0.017 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.707 5.374 -0.239 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -5.160 6.374 -1.639 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.600 5.519 -1.625 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.490 9.444 -1.384 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.505 10.084 -0.566 1.00 0.80 C ATOM 1056 C ARG A 65 -8.052 9.071 0.437 1.00 0.68 C ATOM 1057 O ARG A 65 -7.741 7.881 0.347 1.00 0.71 O ATOM 1058 CB ARG A 65 -8.626 10.648 -1.441 1.00 0.97 C ATOM 1059 CG ARG A 65 -8.136 11.456 -2.639 1.00 1.24 C ATOM 1060 CD ARG A 65 -7.232 12.610 -2.232 1.00 1.78 C ATOM 1061 NE ARG A 65 -7.914 13.556 -1.353 1.00 2.20 N ATOM 1062 CZ ARG A 65 -7.344 14.647 -0.852 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -6.040 14.819 -0.968 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -8.037 15.440 -0.052 1.00 3.57 N ATOM 0 H ARG A 65 -6.856 8.790 -2.076 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.060 10.918 -0.023 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.242 9.823 -1.800 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.267 11.281 -0.828 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -7.596 10.799 -3.320 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -8.994 11.846 -3.186 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -6.349 12.218 -1.727 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -6.884 13.130 -3.124 1.00 1.78 H new ATOM 0 HE ARG A 65 -8.886 13.368 -1.109 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -5.473 14.116 -1.441 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -5.600 15.655 -0.584 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -9.004 15.213 0.178 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -7.604 16.278 0.335 1.00 3.57 H new ATOM 1078 N GLN A 66 -8.854 9.518 1.390 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.401 8.608 2.385 1.00 0.83 C ATOM 1080 C GLN A 66 -10.687 9.149 2.996 1.00 0.99 C ATOM 1081 O GLN A 66 -10.844 10.353 3.197 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.370 8.328 3.500 1.00 0.97 C ATOM 1083 CG GLN A 66 -8.184 9.457 4.510 1.00 1.30 C ATOM 1084 CD GLN A 66 -7.472 10.677 3.952 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -6.362 10.584 3.423 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -8.103 11.834 4.069 1.00 2.45 N ATOM 0 H GLN A 66 -9.138 10.492 1.496 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.634 7.675 1.872 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -8.673 7.429 4.036 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.407 8.114 3.037 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -9.162 9.760 4.884 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -7.620 9.078 5.362 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -9.021 11.872 4.513 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -7.672 12.688 3.715 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.596 8.245 3.303 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.864 8.579 3.919 1.00 1.14 C ATOM 1097 C HIS A 67 -12.954 7.837 5.240 1.00 1.30 C ATOM 1098 O HIS A 67 -13.348 6.672 5.278 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.029 8.171 3.018 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.118 8.955 1.748 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.395 10.301 1.706 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.960 8.566 0.469 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.412 10.702 0.448 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.145 9.669 -0.326 1.00 1.61 N ATOM 0 H HIS A 67 -11.473 7.247 3.130 1.00 0.94 H new ATOM 0 HA HIS A 67 -12.923 9.656 4.077 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -13.933 7.113 2.774 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -14.961 8.287 3.571 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.729 7.567 0.130 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.611 11.708 0.110 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -14.086 9.687 -1.344 1.00 1.61 H new ATOM 1113 N THR A 68 -12.541 8.487 6.307 1.00 1.74 N ATOM 1114 CA THR A 68 -12.540 7.874 7.620 1.00 2.04 C ATOM 1115 C THR A 68 -13.927 7.898 8.261 1.00 1.92 C ATOM 1116 O THR A 68 -14.898 7.431 7.657 1.00 2.16 O ATOM 1117 CB THR A 68 -11.512 8.586 8.494 1.00 2.74 C ATOM 1118 OG1 THR A 68 -11.347 9.934 8.071 1.00 3.12 O ATOM 1119 CG2 THR A 68 -10.161 7.916 8.478 1.00 3.23 C ATOM 0 H THR A 68 -12.199 9.448 6.291 1.00 1.74 H new ATOM 0 HA THR A 68 -12.268 6.823 7.520 1.00 2.04 H new ATOM 0 HB THR A 68 -11.902 8.544 9.511 1.00 2.74 H new ATOM 0 HG1 THR A 68 -10.686 10.378 8.642 1.00 3.12 H new ATOM 0 HG21 THR A 68 -9.473 8.469 9.118 1.00 3.23 H new ATOM 0 HG22 THR A 68 -10.257 6.894 8.845 1.00 3.23 H new ATOM 0 HG23 THR A 68 -9.775 7.900 7.459 1.00 3.23 H new ATOM 1127 N THR A 69 -13.991 8.399 9.495 1.00 2.34 N ATOM 1128 CA THR A 69 -15.215 8.464 10.296 1.00 2.58 C ATOM 1129 C THR A 69 -15.748 7.067 10.558 1.00 2.35 C ATOM 1130 O THR A 69 -16.697 6.615 9.915 1.00 2.76 O ATOM 1131 CB THR A 69 -16.300 9.402 9.706 1.00 3.11 C ATOM 1132 OG1 THR A 69 -16.603 9.127 8.345 1.00 3.61 O ATOM 1133 CG2 THR A 69 -15.930 10.865 9.798 1.00 3.69 C ATOM 0 H THR A 69 -13.176 8.779 9.976 1.00 2.34 H new ATOM 0 HA THR A 69 -14.944 8.918 11.249 1.00 2.58 H new ATOM 0 HB THR A 69 -17.175 9.199 10.324 1.00 3.11 H new ATOM 0 HG1 THR A 69 -16.221 8.260 8.094 1.00 3.61 H new ATOM 0 HG21 THR A 69 -16.729 11.470 9.369 1.00 3.69 H new ATOM 0 HG22 THR A 69 -15.789 11.139 10.843 1.00 3.69 H new ATOM 0 HG23 THR A 69 -15.006 11.042 9.248 1.00 3.69 H new ATOM 1141 N ASP A 70 -15.094 6.391 11.507 1.00 2.34 N ATOM 1142 CA ASP A 70 -15.420 5.023 11.916 1.00 2.43 C ATOM 1143 C ASP A 70 -14.771 4.014 10.986 1.00 2.17 C ATOM 1144 O ASP A 70 -13.716 3.466 11.300 1.00 2.45 O ATOM 1145 CB ASP A 70 -16.933 4.774 11.996 1.00 3.01 C ATOM 1146 CG ASP A 70 -17.563 5.440 13.200 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -17.100 5.183 14.333 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -18.526 6.219 13.026 1.00 3.96 O ATOM 0 H ASP A 70 -14.308 6.788 12.022 1.00 2.34 H new ATOM 0 HA ASP A 70 -15.019 4.895 12.921 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -17.408 5.146 11.088 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -17.120 3.701 12.038 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.387 3.779 9.840 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.838 2.844 8.881 1.00 2.00 C ATOM 1155 C GLU A 71 -13.935 3.577 7.918 1.00 1.55 C ATOM 1156 O GLU A 71 -14.379 4.227 6.969 1.00 1.90 O ATOM 1157 CB GLU A 71 -15.945 2.079 8.164 1.00 2.69 C ATOM 1158 CG GLU A 71 -16.647 1.080 9.066 1.00 3.30 C ATOM 1159 CD GLU A 71 -15.770 -0.101 9.443 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -14.725 0.101 10.105 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -16.138 -1.240 9.098 1.00 4.50 O ATOM 0 H GLU A 71 -16.261 4.221 9.555 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.239 2.101 9.407 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -16.677 2.787 7.775 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -15.522 1.554 7.307 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -16.974 1.587 9.974 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -17.543 0.714 8.565 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.659 3.497 8.229 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.613 4.171 7.478 1.00 1.10 C ATOM 1170 C ASP A 72 -11.407 3.560 6.098 1.00 0.90 C ATOM 1171 O ASP A 72 -10.733 2.538 5.956 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.294 4.097 8.244 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.373 4.618 9.667 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -11.397 5.213 10.049 1.00 2.64 O ATOM 1175 OD2 ASP A 72 -9.399 4.436 10.420 1.00 2.67 O ATOM 0 H ASP A 72 -12.311 2.956 9.020 1.00 1.31 H new ATOM 0 HA ASP A 72 -11.930 5.206 7.351 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.957 3.061 8.266 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.539 4.666 7.702 1.00 1.58 H new ATOM 1180 N THR A 73 -11.968 4.200 5.084 1.00 0.74 N ATOM 1181 CA THR A 73 -11.821 3.734 3.710 1.00 0.65 C ATOM 1182 C THR A 73 -10.815 4.602 2.962 1.00 0.60 C ATOM 1183 O THR A 73 -11.026 5.793 2.787 1.00 0.79 O ATOM 1184 CB THR A 73 -13.174 3.758 2.976 1.00 0.79 C ATOM 1185 OG1 THR A 73 -14.120 2.913 3.609 1.00 0.89 O ATOM 1186 CG2 THR A 73 -13.086 3.344 1.518 1.00 0.94 C ATOM 0 H THR A 73 -12.530 5.045 5.185 1.00 0.74 H new ATOM 0 HA THR A 73 -11.458 2.707 3.739 1.00 0.65 H new ATOM 0 HB THR A 73 -13.492 4.800 3.020 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.969 2.950 3.122 1.00 0.89 H new ATOM 0 HG21 THR A 73 -14.078 3.386 1.067 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.418 4.022 0.987 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.699 2.327 1.451 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.734 3.997 2.509 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.710 4.713 1.758 1.00 0.52 C ATOM 1196 C ILE A 74 -8.958 4.475 0.273 1.00 0.50 C ATOM 1197 O ILE A 74 -9.353 3.377 -0.110 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.286 4.245 2.142 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -7.209 3.918 3.638 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.263 5.313 1.784 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.558 5.081 4.544 1.00 0.99 C ATOM 0 H ILE A 74 -9.538 3.006 2.647 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.772 5.775 1.994 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.060 3.340 1.579 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.883 3.089 3.853 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -6.200 3.578 3.873 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.266 4.969 2.060 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.297 5.504 0.711 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.492 6.232 2.324 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -7.479 4.768 5.585 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.869 5.905 4.360 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -8.577 5.408 4.340 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.767 5.483 -0.563 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.016 5.327 -1.985 1.00 0.45 C ATOM 1215 C VAL A 75 -7.851 5.844 -2.824 1.00 0.46 C ATOM 1216 O VAL A 75 -7.309 6.928 -2.576 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.311 6.050 -2.411 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.536 5.441 -1.728 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.218 7.542 -2.129 1.00 1.19 C ATOM 0 H VAL A 75 -8.443 6.409 -0.284 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.128 4.258 -2.164 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.428 5.915 -3.486 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.433 5.972 -2.048 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.620 4.389 -2.002 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.430 5.527 -0.647 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.143 8.029 -2.438 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.063 7.702 -1.062 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.382 7.966 -2.685 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.467 5.064 -3.821 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.370 5.434 -4.697 1.00 0.58 C ATOM 1231 C LEU A 76 -6.914 5.984 -6.003 1.00 0.59 C ATOM 1232 O LEU A 76 -7.543 5.262 -6.780 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.447 4.240 -4.961 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.796 3.620 -3.715 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.790 2.749 -2.950 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.555 2.822 -4.090 1.00 1.04 C ATOM 0 H LEU A 76 -7.901 4.168 -4.043 1.00 0.51 H new ATOM 0 HA LEU A 76 -5.781 6.207 -4.203 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -6.019 3.467 -5.473 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.658 4.557 -5.643 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.490 4.435 -3.059 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -5.301 2.324 -2.073 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -6.638 3.357 -2.634 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -6.141 1.944 -3.596 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -3.113 2.393 -3.191 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.831 2.021 -4.776 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.832 3.479 -4.572 1.00 1.04 H new ATOM 1248 N GLN A 77 -6.676 7.262 -6.234 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.140 7.920 -7.444 1.00 0.74 C ATOM 1250 C GLN A 77 -5.950 8.248 -8.332 1.00 0.78 C ATOM 1251 O GLN A 77 -5.073 9.014 -7.947 1.00 1.06 O ATOM 1252 CB GLN A 77 -7.887 9.212 -7.098 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.054 9.025 -6.137 1.00 1.36 C ATOM 1254 CD GLN A 77 -9.792 10.324 -5.865 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -9.195 11.325 -5.471 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -11.099 10.311 -6.061 1.00 2.03 N ATOM 0 H GLN A 77 -6.161 7.869 -5.596 1.00 0.62 H new ATOM 0 HA GLN A 77 -7.820 7.249 -7.969 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -7.182 9.919 -6.661 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.259 9.660 -8.019 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -9.749 8.295 -6.551 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -8.685 8.616 -5.197 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -11.557 9.461 -6.389 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.650 11.151 -5.885 1.00 2.03 H new ATOM 1265 N PRO A 78 -5.888 7.672 -9.529 1.00 0.85 N ATOM 1266 CA PRO A 78 -4.784 7.909 -10.447 1.00 0.99 C ATOM 1267 C PRO A 78 -4.856 9.272 -11.114 1.00 1.02 C ATOM 1268 O PRO A 78 -5.938 9.754 -11.463 1.00 1.34 O ATOM 1269 CB PRO A 78 -4.960 6.819 -11.495 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.422 6.554 -11.506 1.00 1.60 C ATOM 1271 CD PRO A 78 -6.881 6.736 -10.086 1.00 1.20 C ATOM 0 HA PRO A 78 -3.825 7.890 -9.930 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -4.608 7.147 -12.473 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.395 5.923 -11.236 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -6.939 7.241 -12.175 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -6.634 5.545 -11.859 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -7.890 7.144 -10.038 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -6.893 5.791 -9.542 1.00 1.20 H new ATOM 1279 N GLN A 79 -3.695 9.871 -11.320 1.00 1.17 N ATOM 1280 CA GLN A 79 -3.613 11.159 -11.992 1.00 1.56 C ATOM 1281 C GLN A 79 -2.941 10.948 -13.338 1.00 1.66 C ATOM 1282 O GLN A 79 -2.810 11.867 -14.147 1.00 2.02 O ATOM 1283 CB GLN A 79 -2.831 12.189 -11.164 1.00 2.04 C ATOM 1284 CG GLN A 79 -1.362 11.844 -10.992 1.00 2.20 C ATOM 1285 CD GLN A 79 -0.610 12.871 -10.168 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -0.774 12.956 -8.956 1.00 3.22 O ATOM 1287 NE2 GLN A 79 0.224 13.664 -10.822 1.00 3.46 N ATOM 0 H GLN A 79 -2.795 9.487 -11.032 1.00 1.17 H new ATOM 0 HA GLN A 79 -4.620 11.556 -12.121 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -2.912 13.165 -11.643 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -3.292 12.277 -10.180 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -1.276 10.868 -10.514 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -0.896 11.760 -11.974 1.00 2.20 H new ATOM 0 HE21 GLN A 79 0.336 13.565 -11.831 1.00 3.46 H new ATOM 0 HE22 GLN A 79 0.755 14.374 -10.317 1.00 3.46 H new ATOM 1296 N GLU A 80 -2.527 9.706 -13.563 1.00 1.50 N ATOM 1297 CA GLU A 80 -1.876 9.308 -14.793 1.00 1.81 C ATOM 1298 C GLU A 80 -2.832 8.418 -15.588 1.00 1.62 C ATOM 1299 O GLU A 80 -3.565 7.625 -14.990 1.00 1.78 O ATOM 1300 CB GLU A 80 -0.593 8.531 -14.461 1.00 2.37 C ATOM 1301 CG GLU A 80 0.206 8.108 -15.683 1.00 3.06 C ATOM 1302 CD GLU A 80 1.402 7.247 -15.339 1.00 3.86 C ATOM 1303 OE1 GLU A 80 1.247 6.297 -14.553 1.00 4.42 O ATOM 1304 OE2 GLU A 80 2.502 7.498 -15.878 1.00 4.35 O ATOM 0 H GLU A 80 -2.637 8.947 -12.890 1.00 1.50 H new ATOM 0 HA GLU A 80 -1.617 10.187 -15.383 1.00 1.81 H new ATOM 0 HB2 GLU A 80 0.039 9.148 -13.822 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -0.856 7.643 -13.886 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -0.445 7.560 -16.364 1.00 3.06 H new ATOM 0 HG3 GLU A 80 0.546 8.997 -16.213 1.00 3.06 H new ATOM 1311 N PRO A 81 -2.848 8.517 -16.931 1.00 1.93 N ATOM 1312 CA PRO A 81 -3.720 7.685 -17.770 1.00 2.28 C ATOM 1313 C PRO A 81 -3.385 6.200 -17.599 1.00 2.24 C ATOM 1314 O PRO A 81 -2.224 5.803 -17.722 1.00 2.80 O ATOM 1315 CB PRO A 81 -3.405 8.153 -19.200 1.00 2.89 C ATOM 1316 CG PRO A 81 -2.795 9.500 -19.032 1.00 3.10 C ATOM 1317 CD PRO A 81 -2.025 9.428 -17.746 1.00 2.53 C ATOM 0 HA PRO A 81 -4.775 7.787 -17.514 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -2.720 7.468 -19.699 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -4.308 8.200 -19.809 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -2.141 9.743 -19.869 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -3.560 10.276 -18.990 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -1.018 9.039 -17.897 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -1.922 10.408 -17.280 1.00 2.53 H new ATOM 1325 N GLY A 82 -4.390 5.392 -17.277 1.00 1.99 N ATOM 1326 CA GLY A 82 -4.168 3.971 -17.057 1.00 2.10 C ATOM 1327 C GLY A 82 -4.468 3.603 -15.626 1.00 1.96 C ATOM 1328 O GLY A 82 -5.637 3.423 -15.283 1.00 2.51 O ATOM 0 H GLY A 82 -5.357 5.695 -17.164 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -4.801 3.390 -17.728 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -3.135 3.718 -17.295 1.00 2.10 H new ATOM 1332 N LEU A 83 -3.395 3.497 -14.822 1.00 1.57 N ATOM 1333 CA LEU A 83 -3.422 3.157 -13.383 1.00 1.40 C ATOM 1334 C LEU A 83 -4.829 2.911 -12.840 1.00 1.22 C ATOM 1335 O LEU A 83 -5.638 3.832 -12.731 1.00 1.13 O ATOM 1336 CB LEU A 83 -2.751 4.281 -12.592 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.316 3.920 -11.173 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.266 2.812 -11.192 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -1.769 5.151 -10.472 1.00 1.26 C ATOM 0 H LEU A 83 -2.448 3.651 -15.167 1.00 1.57 H new ATOM 0 HA LEU A 83 -2.880 2.218 -13.266 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -1.875 4.619 -13.146 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.439 5.124 -12.538 1.00 1.31 H new ATOM 0 HG LEU A 83 -3.185 3.554 -10.627 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -0.972 2.572 -10.170 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -1.683 1.924 -11.668 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -0.393 3.148 -11.752 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -1.461 4.887 -9.460 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -0.911 5.533 -11.025 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -2.542 5.918 -10.427 1.00 1.26 H new ATOM 1351 N PRO A 84 -5.137 1.651 -12.511 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.453 1.251 -12.002 1.00 1.29 C ATOM 1353 C PRO A 84 -6.854 1.950 -10.702 1.00 1.09 C ATOM 1354 O PRO A 84 -6.009 2.424 -9.941 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.317 -0.253 -11.772 1.00 1.58 C ATOM 1356 CG PRO A 84 -5.132 -0.677 -12.572 1.00 1.75 C ATOM 1357 CD PRO A 84 -4.219 0.509 -12.635 1.00 1.64 C ATOM 0 HA PRO A 84 -7.236 1.527 -12.709 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -6.176 -0.476 -10.714 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -7.215 -0.781 -12.092 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -4.633 -1.527 -12.107 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -5.431 -0.991 -13.572 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -3.485 0.494 -11.830 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -3.664 0.540 -13.572 1.00 1.64 H new ATOM 1365 N SER A 85 -8.158 2.002 -10.464 1.00 0.99 N ATOM 1366 CA SER A 85 -8.702 2.629 -9.268 1.00 0.88 C ATOM 1367 C SER A 85 -9.443 1.621 -8.408 1.00 0.63 C ATOM 1368 O SER A 85 -10.472 1.072 -8.809 1.00 0.82 O ATOM 1369 CB SER A 85 -9.652 3.759 -9.644 1.00 1.23 C ATOM 1370 OG SER A 85 -9.071 4.599 -10.623 1.00 1.43 O ATOM 0 H SER A 85 -8.864 1.614 -11.090 1.00 0.99 H new ATOM 0 HA SER A 85 -7.864 3.030 -8.698 1.00 0.88 H new ATOM 0 HB2 SER A 85 -10.586 3.344 -10.022 1.00 1.23 H new ATOM 0 HB3 SER A 85 -9.899 4.343 -8.757 1.00 1.23 H new ATOM 0 HG SER A 85 -9.698 5.317 -10.852 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.930 1.407 -7.216 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.541 0.497 -6.270 1.00 0.64 C ATOM 1378 C PHE A 86 -9.527 1.144 -4.891 1.00 0.57 C ATOM 1379 O PHE A 86 -8.631 1.937 -4.586 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.814 -0.853 -6.263 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.495 -0.880 -5.533 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.434 -0.071 -5.925 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -7.309 -1.749 -4.473 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.221 -0.132 -5.263 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -6.101 -1.807 -3.807 1.00 1.36 C ATOM 1386 CZ PHE A 86 -5.055 -1.002 -4.203 1.00 0.75 C ATOM 0 H PHE A 86 -8.080 1.857 -6.875 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.572 0.300 -6.562 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -9.472 -1.597 -5.815 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.644 -1.159 -7.295 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -6.558 0.611 -6.753 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -8.120 -2.391 -4.162 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -4.403 0.501 -5.575 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -5.976 -2.484 -2.975 1.00 1.36 H new ATOM 0 HZ PHE A 86 -4.108 -1.051 -3.686 1.00 0.75 H new ATOM 1396 N ARG A 87 -10.510 0.825 -4.062 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.565 1.399 -2.724 1.00 0.57 C ATOM 1398 C ARG A 87 -10.158 0.339 -1.723 1.00 0.57 C ATOM 1399 O ARG A 87 -10.255 -0.849 -2.015 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.958 1.959 -2.374 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.616 2.793 -3.470 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.267 1.910 -4.517 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.071 2.669 -5.477 1.00 1.36 N ATOM 1404 CZ ARG A 87 -14.764 2.105 -6.464 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.780 0.785 -6.588 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -15.513 2.853 -7.265 1.00 2.41 N ATOM 0 H ARG A 87 -11.270 0.182 -4.286 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.876 2.243 -2.689 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.616 1.125 -2.129 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.871 2.571 -1.476 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -13.365 3.451 -3.029 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -11.869 3.431 -3.942 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -12.494 1.359 -5.053 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -13.900 1.173 -4.022 1.00 1.24 H new ATOM 0 HE ARG A 87 -14.102 3.684 -5.385 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -14.262 0.204 -5.928 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -15.310 0.350 -7.343 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.559 3.862 -7.125 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -16.043 2.418 -8.020 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.679 0.751 -0.561 1.00 0.52 N ATOM 1421 CA ILE A 88 -9.249 -0.206 0.442 1.00 0.54 C ATOM 1422 C ILE A 88 -9.840 0.080 1.811 1.00 0.59 C ATOM 1423 O ILE A 88 -9.867 1.222 2.282 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.709 -0.293 0.536 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -7.096 1.099 0.670 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -7.152 -1.006 -0.692 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.611 1.092 0.953 1.00 0.74 C ATOM 0 H ILE A 88 -9.579 1.730 -0.292 1.00 0.52 H new ATOM 0 HA ILE A 88 -9.629 -1.172 0.111 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.446 -0.865 1.426 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -7.278 1.655 -0.250 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -7.606 1.634 1.471 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -6.066 -1.063 -0.618 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -7.566 -2.013 -0.747 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -7.426 -0.452 -1.590 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -5.251 2.118 1.034 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -5.421 0.566 1.889 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -5.088 0.587 0.141 1.00 0.74 H new ATOM 1439 N LYS A 89 -10.290 -0.988 2.452 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.860 -0.912 3.772 1.00 0.74 C ATOM 1441 C LYS A 89 -10.176 -1.961 4.649 1.00 0.85 C ATOM 1442 O LYS A 89 -10.568 -3.128 4.681 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.386 -1.119 3.731 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.825 -2.462 3.178 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.196 -2.841 3.694 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.541 -4.272 3.341 1.00 1.89 C ATOM 1447 NZ LYS A 89 -15.739 -4.745 4.080 1.00 2.46 N ATOM 0 H LYS A 89 -10.266 -1.931 2.063 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.693 0.080 4.192 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.782 -1.009 4.741 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.831 -0.329 3.126 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.841 -2.423 2.089 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.103 -3.228 3.459 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.228 -2.714 4.776 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.944 -2.170 3.272 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.721 -4.349 2.269 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -13.693 -4.918 3.570 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -15.946 -5.729 3.813 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -15.558 -4.694 5.103 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -16.553 -4.144 3.842 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.123 -1.560 5.367 1.00 1.06 N ATOM 1462 CA PRO A 90 -8.389 -2.469 6.235 1.00 1.30 C ATOM 1463 C PRO A 90 -9.229 -2.796 7.459 1.00 1.47 C ATOM 1464 O PRO A 90 -9.095 -2.178 8.518 1.00 1.94 O ATOM 1465 CB PRO A 90 -7.121 -1.684 6.594 1.00 1.59 C ATOM 1466 CG PRO A 90 -7.491 -0.249 6.432 1.00 1.77 C ATOM 1467 CD PRO A 90 -8.572 -0.194 5.385 1.00 1.29 C ATOM 0 HA PRO A 90 -8.149 -3.427 5.774 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -6.802 -1.896 7.615 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -6.292 -1.953 5.939 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -7.845 0.168 7.375 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -6.627 0.341 6.127 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -9.336 0.541 5.639 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -8.170 0.087 4.411 1.00 1.29 H new ATOM 1475 N LYS A 91 -10.133 -3.747 7.300 1.00 1.40 N ATOM 1476 CA LYS A 91 -11.020 -4.123 8.382 1.00 1.72 C ATOM 1477 C LYS A 91 -10.683 -5.511 8.931 1.00 2.02 C ATOM 1478 O LYS A 91 -11.046 -5.841 10.056 1.00 2.48 O ATOM 1479 CB LYS A 91 -12.478 -4.046 7.921 1.00 1.95 C ATOM 1480 CG LYS A 91 -13.359 -3.261 8.881 1.00 2.50 C ATOM 1481 CD LYS A 91 -13.562 -4.020 10.184 1.00 2.94 C ATOM 1482 CE LYS A 91 -14.355 -3.220 11.206 1.00 3.58 C ATOM 1483 NZ LYS A 91 -13.644 -1.990 11.635 1.00 4.13 N ATOM 0 H LYS A 91 -10.270 -4.270 6.435 1.00 1.40 H new ATOM 0 HA LYS A 91 -10.878 -3.415 9.199 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -12.519 -3.582 6.936 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.874 -5.056 7.814 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -12.904 -2.293 9.088 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -14.325 -3.066 8.416 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -14.081 -4.956 9.978 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -12.591 -4.280 10.605 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -15.321 -2.949 10.781 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -14.554 -3.844 12.077 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -13.996 -1.692 12.567 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -12.624 -2.182 11.696 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -13.813 -1.232 10.943 1.00 4.13 H new ATOM 1497 N ASP A 92 -9.964 -6.310 8.151 1.00 2.34 N ATOM 1498 CA ASP A 92 -9.563 -7.650 8.580 1.00 2.92 C ATOM 1499 C ASP A 92 -8.390 -7.607 9.546 1.00 2.79 C ATOM 1500 O ASP A 92 -7.805 -8.637 9.861 1.00 3.27 O ATOM 1501 CB ASP A 92 -9.211 -8.546 7.408 1.00 3.81 C ATOM 1502 CG ASP A 92 -8.434 -7.844 6.313 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -8.961 -6.869 5.735 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -7.306 -8.283 6.011 1.00 5.11 O ATOM 0 H ASP A 92 -9.645 -6.055 7.216 1.00 2.34 H new ATOM 0 HA ASP A 92 -10.429 -8.070 9.091 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -8.626 -9.391 7.771 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -10.130 -8.953 6.985 1.00 3.81 H new ATOM 1509 N PHE A 93 -8.119 -6.403 10.020 1.00 2.71 N ATOM 1510 CA PHE A 93 -7.083 -6.090 11.004 1.00 2.95 C ATOM 1511 C PHE A 93 -5.862 -7.017 10.996 1.00 3.05 C ATOM 1512 O PHE A 93 -5.888 -8.128 11.520 1.00 3.30 O ATOM 1513 CB PHE A 93 -7.747 -6.017 12.390 1.00 3.27 C ATOM 1514 CG PHE A 93 -7.993 -7.314 13.123 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -8.880 -8.254 12.628 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -7.352 -7.576 14.328 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -9.129 -9.425 13.313 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -7.599 -8.748 15.014 1.00 5.30 C ATOM 1519 CZ PHE A 93 -8.485 -9.674 14.505 1.00 5.69 C ATOM 0 H PHE A 93 -8.635 -5.576 9.719 1.00 2.71 H new ATOM 0 HA PHE A 93 -6.654 -5.127 10.726 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -7.126 -5.386 13.026 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -8.705 -5.510 12.276 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -9.385 -8.068 11.691 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -6.655 -6.856 14.731 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -9.828 -10.146 12.915 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -7.097 -8.940 15.951 1.00 5.30 H new ATOM 0 HZ PHE A 93 -8.674 -10.593 15.040 1.00 5.69 H new ATOM 1529 N GLU A 94 -4.767 -6.531 10.425 1.00 3.44 N ATOM 1530 CA GLU A 94 -3.535 -7.301 10.391 1.00 3.96 C ATOM 1531 C GLU A 94 -2.982 -7.426 11.809 1.00 3.75 C ATOM 1532 O GLU A 94 -2.440 -8.459 12.199 1.00 4.15 O ATOM 1533 CB GLU A 94 -2.504 -6.620 9.481 1.00 4.82 C ATOM 1534 CG GLU A 94 -1.119 -7.245 9.540 1.00 5.73 C ATOM 1535 CD GLU A 94 -1.052 -8.628 8.925 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -1.768 -9.536 9.387 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -0.256 -8.817 7.986 1.00 7.20 O ATOM 0 H GLU A 94 -4.709 -5.614 9.983 1.00 3.44 H new ATOM 0 HA GLU A 94 -3.742 -8.294 9.991 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -2.863 -6.654 8.453 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -2.429 -5.568 9.757 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -0.413 -6.593 9.026 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -0.800 -7.303 10.581 1.00 5.73 H new ATOM 1544 N THR A 95 -3.115 -6.352 12.576 1.00 3.56 N ATOM 1545 CA THR A 95 -2.623 -6.331 13.945 1.00 3.57 C ATOM 1546 C THR A 95 -3.537 -5.493 14.843 1.00 3.11 C ATOM 1547 O THR A 95 -3.188 -4.369 15.208 1.00 3.46 O ATOM 1548 CB THR A 95 -1.200 -5.768 13.975 1.00 4.37 C ATOM 1549 OG1 THR A 95 -0.402 -6.355 12.958 1.00 4.92 O ATOM 1550 CG2 THR A 95 -0.505 -5.992 15.298 1.00 4.79 C ATOM 0 H THR A 95 -3.559 -5.485 12.273 1.00 3.56 H new ATOM 0 HA THR A 95 -2.617 -7.353 14.325 1.00 3.57 H new ATOM 0 HB THR A 95 -1.307 -4.695 13.814 1.00 4.37 H new ATOM 0 HG1 THR A 95 0.503 -5.980 12.995 1.00 4.92 H new ATOM 0 HG21 THR A 95 0.500 -5.571 15.257 1.00 4.79 H new ATOM 0 HG22 THR A 95 -1.070 -5.506 16.093 1.00 4.79 H new ATOM 0 HG23 THR A 95 -0.442 -7.061 15.500 1.00 4.79 H new ATOM 1558 N SER A 96 -4.705 -6.051 15.192 1.00 2.83 N ATOM 1559 CA SER A 96 -5.687 -5.390 16.051 1.00 2.92 C ATOM 1560 C SER A 96 -5.896 -3.954 15.608 1.00 2.63 C ATOM 1561 O SER A 96 -6.011 -3.038 16.426 1.00 2.95 O ATOM 1562 CB SER A 96 -5.235 -5.463 17.508 1.00 3.49 C ATOM 1563 OG SER A 96 -6.270 -5.063 18.391 1.00 4.05 O ATOM 0 H SER A 96 -4.993 -6.979 14.882 1.00 2.83 H new ATOM 0 HA SER A 96 -6.644 -5.905 15.965 1.00 2.92 H new ATOM 0 HB2 SER A 96 -4.926 -6.481 17.744 1.00 3.49 H new ATOM 0 HB3 SER A 96 -4.364 -4.824 17.653 1.00 3.49 H new ATOM 0 HG SER A 96 -6.542 -4.145 18.182 1.00 4.05 H new ATOM 1569 N GLU A 97 -6.004 -3.807 14.287 1.00 2.52 N ATOM 1570 CA GLU A 97 -6.256 -2.525 13.621 1.00 2.71 C ATOM 1571 C GLU A 97 -5.327 -1.394 14.075 1.00 2.41 C ATOM 1572 O GLU A 97 -5.483 -0.244 13.661 1.00 2.64 O ATOM 1573 CB GLU A 97 -7.680 -2.140 13.914 1.00 3.26 C ATOM 1574 CG GLU A 97 -8.686 -2.927 13.094 1.00 3.93 C ATOM 1575 CD GLU A 97 -10.081 -2.358 13.158 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -10.315 -1.437 13.954 1.00 4.86 O ATOM 1577 OE2 GLU A 97 -10.957 -2.815 12.393 1.00 4.75 O ATOM 0 H GLU A 97 -5.918 -4.588 13.637 1.00 2.52 H new ATOM 0 HA GLU A 97 -6.066 -2.660 12.556 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -7.882 -2.295 14.974 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -7.811 -1.076 13.717 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -8.358 -2.951 12.055 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -8.705 -3.958 13.447 1.00 3.93 H new ATOM 1584 N TYR A 98 -4.403 -1.726 14.958 1.00 2.15 N ATOM 1585 CA TYR A 98 -3.487 -0.764 15.521 1.00 1.95 C ATOM 1586 C TYR A 98 -2.761 -0.029 14.422 1.00 1.56 C ATOM 1587 O TYR A 98 -2.658 1.197 14.430 1.00 1.45 O ATOM 1588 CB TYR A 98 -2.491 -1.462 16.430 1.00 2.16 C ATOM 1589 CG TYR A 98 -1.851 -0.509 17.388 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -2.632 0.309 18.191 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -0.476 -0.411 17.475 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -2.049 1.207 19.060 1.00 4.19 C ATOM 1593 CE2 TYR A 98 0.116 0.479 18.342 1.00 4.46 C ATOM 1594 CZ TYR A 98 -0.674 1.287 19.131 1.00 4.66 C ATOM 1595 OH TYR A 98 -0.084 2.179 19.991 1.00 5.65 O ATOM 0 H TYR A 98 -4.270 -2.677 15.303 1.00 2.15 H new ATOM 0 HA TYR A 98 -4.054 -0.042 16.108 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -2.997 -2.251 16.986 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -1.721 -1.942 15.825 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -3.708 0.242 18.135 1.00 3.28 H new ATOM 0 HD2 TYR A 98 0.143 -1.041 16.854 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -2.664 1.842 19.680 1.00 4.19 H new ATOM 0 HE2 TYR A 98 1.192 0.544 18.404 1.00 4.46 H new ATOM 0 HH TYR A 98 0.891 2.107 19.919 1.00 5.65 H new ATOM 1605 N VAL A 99 -2.284 -0.798 13.477 1.00 1.54 N ATOM 1606 CA VAL A 99 -1.578 -0.249 12.345 1.00 1.34 C ATOM 1607 C VAL A 99 -2.539 0.543 11.450 1.00 1.17 C ATOM 1608 O VAL A 99 -2.190 1.611 10.981 1.00 1.04 O ATOM 1609 CB VAL A 99 -0.872 -1.356 11.549 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -1.875 -2.386 11.081 1.00 1.91 C ATOM 1611 CG2 VAL A 99 -0.101 -0.783 10.380 1.00 1.76 C ATOM 0 H VAL A 99 -2.372 -1.814 13.469 1.00 1.54 H new ATOM 0 HA VAL A 99 -0.813 0.433 12.715 1.00 1.34 H new ATOM 0 HB VAL A 99 -0.155 -1.845 12.208 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -1.361 -3.165 10.518 1.00 1.91 H new ATOM 0 HG12 VAL A 99 -2.371 -2.830 11.944 1.00 1.91 H new ATOM 0 HG13 VAL A 99 -2.617 -1.907 10.443 1.00 1.91 H new ATOM 0 HG21 VAL A 99 0.388 -1.591 9.836 1.00 1.76 H new ATOM 0 HG22 VAL A 99 -0.786 -0.259 9.714 1.00 1.76 H new ATOM 0 HG23 VAL A 99 0.652 -0.085 10.747 1.00 1.76 H new ATOM 1621 N ARG A 100 -3.756 0.027 11.255 1.00 1.36 N ATOM 1622 CA ARG A 100 -4.780 0.693 10.439 1.00 1.42 C ATOM 1623 C ARG A 100 -5.032 2.114 10.926 1.00 1.31 C ATOM 1624 O ARG A 100 -4.938 3.070 10.167 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.098 -0.100 10.486 1.00 1.78 C ATOM 1626 CG ARG A 100 -7.315 0.678 9.990 1.00 2.37 C ATOM 1627 CD ARG A 100 -8.604 0.075 10.531 1.00 3.01 C ATOM 1628 NE ARG A 100 -9.806 0.641 9.916 1.00 3.48 N ATOM 1629 CZ ARG A 100 -11.041 0.247 10.225 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -11.280 -0.249 11.434 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -12.060 0.721 9.521 1.00 4.93 N ATOM 0 H ARG A 100 -4.060 -0.860 11.656 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.412 0.733 9.414 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -5.988 -1.002 9.884 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -6.279 -0.421 11.512 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -7.237 1.720 10.302 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -7.336 0.672 8.900 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -8.591 -1.002 10.365 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -8.647 0.231 11.609 1.00 3.01 H new ATOM 0 HE ARG A 100 -9.692 1.374 9.216 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -10.523 -0.325 12.113 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -12.221 -0.554 11.683 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -11.892 1.376 8.757 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -13.012 0.431 9.743 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.355 2.245 12.200 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.628 3.543 12.787 1.00 1.43 C ATOM 1647 C LYS A 101 -4.385 4.425 12.800 1.00 1.27 C ATOM 1648 O LYS A 101 -4.473 5.653 12.799 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.145 3.369 14.196 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.554 2.810 14.236 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.521 3.679 13.438 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.949 3.158 13.519 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.914 4.011 12.763 1.00 3.24 N ATOM 0 H LYS A 101 -5.435 1.463 12.850 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.383 4.036 12.175 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.478 2.703 14.744 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -6.125 4.331 14.708 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -7.557 1.797 13.834 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.891 2.743 15.270 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -8.485 4.702 13.814 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.205 3.711 12.395 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.984 2.141 13.127 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -10.255 3.108 14.564 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -11.498 4.552 13.433 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -10.390 4.668 12.150 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -11.527 3.407 12.179 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.232 3.790 12.836 1.00 1.11 N ATOM 1668 CA ALA A 102 -1.965 4.503 12.877 1.00 1.11 C ATOM 1669 C ALA A 102 -1.460 4.895 11.488 1.00 0.99 C ATOM 1670 O ALA A 102 -1.352 6.080 11.166 1.00 1.28 O ATOM 1671 CB ALA A 102 -0.927 3.651 13.579 1.00 1.22 C ATOM 0 H ALA A 102 -3.143 2.774 12.838 1.00 1.11 H new ATOM 0 HA ALA A 102 -2.133 5.429 13.427 1.00 1.11 H new ATOM 0 HB1 ALA A 102 0.022 4.186 13.610 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.257 3.440 14.596 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -0.798 2.714 13.037 1.00 1.22 H new ATOM 1677 N TRP A 103 -1.064 3.895 10.711 1.00 0.97 N ATOM 1678 CA TRP A 103 -0.474 4.096 9.391 1.00 1.01 C ATOM 1679 C TRP A 103 -1.360 4.888 8.426 1.00 0.93 C ATOM 1680 O TRP A 103 -0.852 5.502 7.486 1.00 1.00 O ATOM 1681 CB TRP A 103 -0.025 2.749 8.809 1.00 1.40 C ATOM 1682 CG TRP A 103 -0.953 2.075 7.839 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -2.189 1.547 8.078 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.669 1.828 6.460 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -2.692 0.992 6.919 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -1.773 1.157 5.913 1.00 0.92 C ATOM 1687 CE3 TRP A 103 0.418 2.116 5.637 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 -1.810 0.773 4.573 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.373 1.734 4.317 1.00 0.73 C ATOM 1690 CH2 TRP A 103 -0.732 1.069 3.800 1.00 0.98 C ATOM 0 H TRP A 103 -1.143 2.914 10.980 1.00 0.97 H new ATOM 0 HA TRP A 103 0.403 4.729 9.525 1.00 1.01 H new ATOM 0 HB2 TRP A 103 0.933 2.899 8.311 1.00 1.40 H new ATOM 0 HB3 TRP A 103 0.151 2.065 9.639 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.697 1.561 9.031 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -3.599 0.534 6.825 1.00 1.16 H new ATOM 0 HE3 TRP A 103 1.282 2.631 6.030 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 -2.666 0.258 4.163 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 1.210 1.954 3.671 1.00 0.73 H new ATOM 0 HH2 TRP A 103 -0.734 0.780 2.759 1.00 0.98 H new ATOM 1701 N LEU A 104 -2.663 4.929 8.680 1.00 0.95 N ATOM 1702 CA LEU A 104 -3.575 5.716 7.845 1.00 1.12 C ATOM 1703 C LEU A 104 -3.242 7.182 8.054 1.00 1.10 C ATOM 1704 O LEU A 104 -3.117 7.965 7.109 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.020 5.461 8.245 1.00 1.35 C ATOM 1706 CG LEU A 104 -5.808 4.537 7.322 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -4.957 3.374 6.849 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -7.033 4.030 8.045 1.00 2.27 C ATOM 0 H LEU A 104 -3.113 4.433 9.449 1.00 0.95 H new ATOM 0 HA LEU A 104 -3.458 5.434 6.799 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.030 5.037 9.249 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.538 6.419 8.298 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.112 5.103 6.442 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -5.547 2.734 6.193 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -4.093 3.754 6.304 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -4.618 2.797 7.710 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -7.597 3.370 7.386 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -6.728 3.480 8.936 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -7.659 4.874 8.336 1.00 2.27 H new ATOM 1720 N ARG A 105 -3.127 7.522 9.332 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.810 8.880 9.768 1.00 1.18 C ATOM 1722 C ARG A 105 -1.530 9.338 9.068 1.00 1.08 C ATOM 1723 O ARG A 105 -1.392 10.511 8.710 1.00 1.21 O ATOM 1724 CB ARG A 105 -2.654 8.944 11.297 1.00 1.38 C ATOM 1725 CG ARG A 105 -2.226 10.309 11.814 1.00 2.01 C ATOM 1726 CD ARG A 105 -2.152 10.347 13.335 1.00 2.29 C ATOM 1727 NE ARG A 105 -1.526 11.574 13.827 1.00 2.86 N ATOM 1728 CZ ARG A 105 -2.033 12.804 13.681 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -3.248 12.989 13.169 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -1.345 13.846 14.125 1.00 4.52 N ATOM 0 H ARG A 105 -3.251 6.862 10.100 1.00 1.01 H new ATOM 0 HA ARG A 105 -3.629 9.547 9.498 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -3.602 8.671 11.761 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -1.920 8.201 11.609 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -1.252 10.565 11.397 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -2.930 11.065 11.467 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -3.157 10.263 13.748 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -1.588 9.485 13.691 1.00 2.29 H new ATOM 0 HE ARG A 105 -0.636 11.486 14.318 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -3.808 12.186 12.881 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -3.619 13.933 13.065 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -0.439 13.706 14.572 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -1.721 14.788 14.019 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.632 8.386 8.810 1.00 0.95 N ATOM 1745 CA ASP A 106 0.592 8.670 8.068 1.00 0.99 C ATOM 1746 C ASP A 106 0.206 8.994 6.630 1.00 0.96 C ATOM 1747 O ASP A 106 0.404 10.111 6.174 1.00 1.17 O ATOM 1748 CB ASP A 106 1.561 7.482 8.096 1.00 1.09 C ATOM 1749 CG ASP A 106 2.380 7.416 9.371 1.00 1.46 C ATOM 1750 OD1 ASP A 106 2.932 8.459 9.787 1.00 2.18 O ATOM 1751 OD2 ASP A 106 2.500 6.316 9.948 1.00 1.76 O ATOM 0 H ASP A 106 -0.731 7.414 9.104 1.00 0.95 H new ATOM 0 HA ASP A 106 1.104 9.513 8.532 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.996 6.557 7.985 1.00 1.09 H new ATOM 0 HB3 ASP A 106 2.234 7.549 7.241 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.343 7.975 5.954 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.803 8.044 4.549 1.00 1.04 C ATOM 1758 C ILE A 107 -1.378 9.418 4.183 1.00 1.23 C ATOM 1759 O ILE A 107 -1.058 9.978 3.137 1.00 1.43 O ATOM 1760 CB ILE A 107 -1.864 6.934 4.272 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -1.219 5.695 3.646 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -2.991 7.429 3.376 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -0.052 5.146 4.422 1.00 1.45 C ATOM 0 H ILE A 107 -0.485 7.056 6.374 1.00 0.92 H new ATOM 0 HA ILE A 107 0.073 7.882 3.921 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.290 6.666 5.239 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -1.975 4.916 3.549 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -0.886 5.943 2.638 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -3.705 6.622 3.211 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.495 8.268 3.856 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -2.580 7.752 2.419 1.00 1.23 H new ATOM 0 HD11 ILE A 107 0.346 4.270 3.910 1.00 1.45 H new ATOM 0 HD12 ILE A 107 0.725 5.907 4.497 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -0.381 4.863 5.422 1.00 1.45 H new ATOM 1775 N ALA A 108 -2.233 9.946 5.043 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.865 11.233 4.812 1.00 1.52 C ATOM 1777 C ALA A 108 -1.871 12.397 4.833 1.00 1.59 C ATOM 1778 O ALA A 108 -1.895 13.268 3.959 1.00 1.92 O ATOM 1779 CB ALA A 108 -3.942 11.445 5.860 1.00 1.62 C ATOM 0 H ALA A 108 -2.507 9.497 5.917 1.00 1.25 H new ATOM 0 HA ALA A 108 -3.299 11.217 3.812 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -4.424 12.409 5.697 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -4.685 10.651 5.785 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -3.492 11.428 6.853 1.00 1.62 H new ATOM 1785 N GLU A 109 -1.025 12.426 5.851 1.00 1.39 N ATOM 1786 CA GLU A 109 -0.046 13.491 6.023 1.00 1.50 C ATOM 1787 C GLU A 109 1.175 13.362 5.107 1.00 1.43 C ATOM 1788 O GLU A 109 1.636 14.358 4.545 1.00 1.70 O ATOM 1789 CB GLU A 109 0.409 13.530 7.477 1.00 1.69 C ATOM 1790 CG GLU A 109 -0.707 13.886 8.448 1.00 1.73 C ATOM 1791 CD GLU A 109 -1.322 15.236 8.155 1.00 2.07 C ATOM 1792 OE1 GLU A 109 -0.586 16.245 8.168 1.00 2.40 O ATOM 1793 OE2 GLU A 109 -2.544 15.300 7.923 1.00 2.56 O ATOM 0 H GLU A 109 -0.997 11.714 6.581 1.00 1.39 H new ATOM 0 HA GLU A 109 -0.544 14.419 5.743 1.00 1.50 H new ATOM 0 HB2 GLU A 109 0.820 12.558 7.748 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.215 14.257 7.579 1.00 1.69 H new ATOM 0 HG2 GLU A 109 -1.481 13.120 8.403 1.00 1.73 H new ATOM 0 HG3 GLU A 109 -0.314 13.882 9.465 1.00 1.73 H new ATOM 1800 N GLU A 110 1.720 12.152 4.994 1.00 1.49 N ATOM 1801 CA GLU A 110 2.917 11.910 4.203 1.00 1.63 C ATOM 1802 C GLU A 110 3.034 10.443 3.808 1.00 1.78 C ATOM 1803 O GLU A 110 2.268 9.607 4.270 1.00 2.20 O ATOM 1804 CB GLU A 110 4.156 12.238 5.029 1.00 2.09 C ATOM 1805 CG GLU A 110 4.433 13.709 5.277 1.00 2.83 C ATOM 1806 CD GLU A 110 5.702 13.906 6.084 1.00 3.38 C ATOM 1807 OE1 GLU A 110 6.439 12.918 6.278 1.00 3.86 O ATOM 1808 OE2 GLU A 110 5.977 15.041 6.526 1.00 3.86 O ATOM 0 H GLU A 110 1.344 11.319 5.447 1.00 1.49 H new ATOM 0 HA GLU A 110 2.845 12.536 3.314 1.00 1.63 H new ATOM 0 HB2 GLU A 110 4.064 11.740 5.994 1.00 2.09 H new ATOM 0 HB3 GLU A 110 5.023 11.807 4.529 1.00 2.09 H new ATOM 0 HG2 GLU A 110 4.522 14.230 4.323 1.00 2.83 H new ATOM 0 HG3 GLU A 110 3.591 14.155 5.806 1.00 2.83 H new ATOM 1815 N GLN A 111 4.034 10.152 2.971 1.00 1.93 N ATOM 1816 CA GLN A 111 4.326 8.798 2.484 1.00 2.44 C ATOM 1817 C GLN A 111 5.722 8.791 1.878 1.00 2.84 C ATOM 1818 O GLN A 111 6.686 8.351 2.503 1.00 3.22 O ATOM 1819 CB GLN A 111 3.320 8.362 1.417 1.00 2.97 C ATOM 1820 CG GLN A 111 1.947 8.007 1.965 1.00 3.66 C ATOM 1821 CD GLN A 111 0.915 7.740 0.891 1.00 4.54 C ATOM 1822 OE1 GLN A 111 -0.166 7.229 1.165 1.00 5.12 O ATOM 1823 NE2 GLN A 111 1.227 8.109 -0.334 1.00 5.02 N ATOM 0 H GLN A 111 4.673 10.859 2.607 1.00 1.93 H new ATOM 0 HA GLN A 111 4.259 8.104 3.322 1.00 2.44 H new ATOM 0 HB2 GLN A 111 3.211 9.164 0.686 1.00 2.97 H new ATOM 0 HB3 GLN A 111 3.721 7.499 0.886 1.00 2.97 H new ATOM 0 HG2 GLN A 111 2.035 7.125 2.599 1.00 3.66 H new ATOM 0 HG3 GLN A 111 1.597 8.822 2.599 1.00 3.66 H new ATOM 0 HE21 GLN A 111 2.136 8.531 -0.524 1.00 5.02 H new ATOM 0 HE22 GLN A 111 0.560 7.973 -1.093 1.00 5.02 H new ATOM 1832 N GLU A 112 5.826 9.328 0.671 1.00 3.29 N ATOM 1833 CA GLU A 112 7.099 9.433 -0.018 1.00 4.12 C ATOM 1834 C GLU A 112 7.916 10.541 0.623 1.00 4.19 C ATOM 1835 O GLU A 112 9.126 10.624 0.434 1.00 4.69 O ATOM 1836 CB GLU A 112 6.882 9.732 -1.504 1.00 5.03 C ATOM 1837 CG GLU A 112 6.218 11.076 -1.758 1.00 5.36 C ATOM 1838 CD GLU A 112 4.708 11.011 -1.665 1.00 6.31 C ATOM 1839 OE1 GLU A 112 4.170 11.154 -0.546 1.00 6.83 O ATOM 1840 OE2 GLU A 112 4.056 10.793 -2.701 1.00 6.81 O ATOM 0 H GLU A 112 5.034 9.700 0.146 1.00 3.29 H new ATOM 0 HA GLU A 112 7.633 8.486 0.064 1.00 4.12 H new ATOM 0 HB2 GLU A 112 7.844 9.708 -2.016 1.00 5.03 H new ATOM 0 HB3 GLU A 112 6.268 8.944 -1.940 1.00 5.03 H new ATOM 0 HG2 GLU A 112 6.591 11.803 -1.036 1.00 5.36 H new ATOM 0 HG3 GLU A 112 6.501 11.435 -2.747 1.00 5.36 H new ATOM 1847 N LYS A 113 7.234 11.384 1.393 1.00 3.97 N ATOM 1848 CA LYS A 113 7.879 12.486 2.087 1.00 4.36 C ATOM 1849 C LYS A 113 8.830 11.957 3.156 1.00 4.15 C ATOM 1850 O LYS A 113 10.019 11.772 2.892 1.00 4.65 O ATOM 1851 CB LYS A 113 6.844 13.411 2.742 1.00 4.79 C ATOM 1852 CG LYS A 113 6.076 14.295 1.777 1.00 5.55 C ATOM 1853 CD LYS A 113 4.987 13.524 1.065 1.00 5.63 C ATOM 1854 CE LYS A 113 4.219 14.399 0.095 1.00 6.48 C ATOM 1855 NZ LYS A 113 3.071 13.672 -0.492 1.00 7.06 N ATOM 0 H LYS A 113 6.228 11.321 1.550 1.00 3.97 H new ATOM 0 HA LYS A 113 8.441 13.057 1.348 1.00 4.36 H new ATOM 0 HB2 LYS A 113 6.132 12.800 3.297 1.00 4.79 H new ATOM 0 HB3 LYS A 113 7.353 14.046 3.467 1.00 4.79 H new ATOM 0 HG2 LYS A 113 5.636 15.131 2.320 1.00 5.55 H new ATOM 0 HG3 LYS A 113 6.763 14.717 1.044 1.00 5.55 H new ATOM 0 HD2 LYS A 113 5.428 12.685 0.527 1.00 5.63 H new ATOM 0 HD3 LYS A 113 4.299 13.105 1.799 1.00 5.63 H new ATOM 0 HE2 LYS A 113 3.862 15.291 0.610 1.00 6.48 H new ATOM 0 HE3 LYS A 113 4.884 14.735 -0.700 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 2.946 13.962 -1.483 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 3.251 12.648 -0.451 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 2.208 13.894 0.045 1.00 7.06 H new ATOM 1869 N TYR A 114 8.299 11.724 4.362 1.00 3.80 N ATOM 1870 CA TYR A 114 9.088 11.229 5.490 1.00 4.21 C ATOM 1871 C TYR A 114 10.357 12.056 5.688 1.00 4.57 C ATOM 1872 O TYR A 114 11.413 11.542 6.065 1.00 5.17 O ATOM 1873 CB TYR A 114 9.409 9.743 5.313 1.00 4.58 C ATOM 1874 CG TYR A 114 8.389 8.846 5.965 1.00 5.45 C ATOM 1875 CD1 TYR A 114 7.052 8.914 5.608 1.00 5.90 C ATOM 1876 CD2 TYR A 114 8.762 7.941 6.947 1.00 6.18 C ATOM 1877 CE1 TYR A 114 6.109 8.107 6.214 1.00 6.94 C ATOM 1878 CE2 TYR A 114 7.828 7.128 7.556 1.00 7.17 C ATOM 1879 CZ TYR A 114 6.503 7.216 7.191 1.00 7.49 C ATOM 1880 OH TYR A 114 5.577 6.403 7.805 1.00 8.62 O ATOM 0 H TYR A 114 7.314 11.873 4.580 1.00 3.80 H new ATOM 0 HA TYR A 114 8.489 11.338 6.394 1.00 4.21 H new ATOM 0 HB2 TYR A 114 9.463 9.511 4.249 1.00 4.58 H new ATOM 0 HB3 TYR A 114 10.392 9.535 5.735 1.00 4.58 H new ATOM 0 HD1 TYR A 114 6.742 9.610 4.843 1.00 5.90 H new ATOM 0 HD2 TYR A 114 9.799 7.871 7.240 1.00 6.18 H new ATOM 0 HE1 TYR A 114 5.070 8.173 5.925 1.00 6.94 H new ATOM 0 HE2 TYR A 114 8.135 6.425 8.316 1.00 7.17 H new ATOM 0 HH TYR A 114 6.026 5.837 8.467 1.00 8.62 H new ATOM 1890 N ALA A 115 10.210 13.347 5.435 1.00 4.51 N ATOM 1891 CA ALA A 115 11.276 14.325 5.564 1.00 5.16 C ATOM 1892 C ALA A 115 10.628 15.676 5.806 1.00 5.46 C ATOM 1893 O ALA A 115 10.724 16.585 4.979 1.00 5.73 O ATOM 1894 CB ALA A 115 12.135 14.353 4.309 1.00 5.63 C ATOM 0 H ALA A 115 9.326 13.752 5.127 1.00 4.51 H new ATOM 0 HA ALA A 115 11.932 14.066 6.395 1.00 5.16 H new ATOM 0 HB1 ALA A 115 12.927 15.092 4.427 1.00 5.63 H new ATOM 0 HB2 ALA A 115 12.577 13.370 4.149 1.00 5.63 H new ATOM 0 HB3 ALA A 115 11.517 14.617 3.451 1.00 5.63 H new ATOM 1900 N ALA A 116 9.920 15.752 6.930 1.00 5.86 N ATOM 1901 CA ALA A 116 9.164 16.931 7.337 1.00 6.58 C ATOM 1902 C ALA A 116 9.851 18.249 7.018 1.00 7.22 C ATOM 1903 O ALA A 116 10.835 18.630 7.655 1.00 7.70 O ATOM 1904 CB ALA A 116 8.852 16.860 8.819 1.00 7.03 C ATOM 0 H ALA A 116 9.855 14.981 7.595 1.00 5.86 H new ATOM 0 HA ALA A 116 8.246 16.917 6.750 1.00 6.58 H new ATOM 0 HB1 ALA A 116 8.287 17.744 9.115 1.00 7.03 H new ATOM 0 HB2 ALA A 116 8.262 15.967 9.024 1.00 7.03 H new ATOM 0 HB3 ALA A 116 9.783 16.818 9.385 1.00 7.03 H new ATOM 1910 N GLU A 117 9.283 18.946 6.050 1.00 7.53 N ATOM 1911 CA GLU A 117 9.770 20.248 5.641 1.00 8.41 C ATOM 1912 C GLU A 117 9.215 21.282 6.613 1.00 9.09 C ATOM 1913 O GLU A 117 8.110 21.107 7.128 1.00 9.58 O ATOM 1914 CB GLU A 117 9.289 20.560 4.226 1.00 8.83 C ATOM 1915 CG GLU A 117 9.727 21.914 3.706 1.00 9.18 C ATOM 1916 CD GLU A 117 8.975 22.303 2.455 1.00 9.82 C ATOM 1917 OE1 GLU A 117 7.728 22.327 2.506 1.00 10.40 O ATOM 1918 OE2 GLU A 117 9.621 22.590 1.422 1.00 9.94 O ATOM 0 H GLU A 117 8.470 18.623 5.526 1.00 7.53 H new ATOM 0 HA GLU A 117 10.860 20.265 5.648 1.00 8.41 H new ATOM 0 HB2 GLU A 117 9.657 19.788 3.551 1.00 8.83 H new ATOM 0 HB3 GLU A 117 8.200 20.510 4.205 1.00 8.83 H new ATOM 0 HG2 GLU A 117 9.567 22.669 4.476 1.00 9.18 H new ATOM 0 HG3 GLU A 117 10.796 21.895 3.496 1.00 9.18 H new ATOM 1925 N ARG A 118 9.961 22.347 6.865 1.00 9.35 N ATOM 1926 CA ARG A 118 9.516 23.397 7.775 1.00 10.23 C ATOM 1927 C ARG A 118 8.613 24.369 7.025 1.00 10.76 C ATOM 1928 O ARG A 118 7.477 24.622 7.428 1.00 11.00 O ATOM 1929 CB ARG A 118 10.731 24.119 8.368 1.00 10.61 C ATOM 1930 CG ARG A 118 10.694 24.256 9.881 1.00 11.18 C ATOM 1931 CD ARG A 118 10.012 25.542 10.319 1.00 11.87 C ATOM 1932 NE ARG A 118 10.822 26.715 9.993 1.00 12.16 N ATOM 1933 CZ ARG A 118 10.544 27.950 10.396 1.00 12.66 C ATOM 1934 NH1 ARG A 118 9.754 28.129 11.447 1.00 12.91 N ATOM 1935 NH2 ARG A 118 11.340 28.942 10.018 1.00 13.09 N ATOM 0 H ARG A 118 10.880 22.509 6.452 1.00 9.35 H new ATOM 0 HA ARG A 118 8.947 22.959 8.595 1.00 10.23 H new ATOM 0 HB2 ARG A 118 11.635 23.579 8.085 1.00 10.61 H new ATOM 0 HB3 ARG A 118 10.801 25.113 7.926 1.00 10.61 H new ATOM 0 HG2 ARG A 118 10.169 23.403 10.310 1.00 11.18 H new ATOM 0 HG3 ARG A 118 11.711 24.233 10.272 1.00 11.18 H new ATOM 0 HD2 ARG A 118 9.040 25.623 9.833 1.00 11.87 H new ATOM 0 HD3 ARG A 118 9.830 25.511 11.393 1.00 11.87 H new ATOM 0 HE ARG A 118 11.654 26.576 9.419 1.00 12.16 H new ATOM 0 HH11 ARG A 118 9.367 27.323 11.937 1.00 12.91 H new ATOM 0 HH12 ARG A 118 9.534 29.073 11.765 1.00 12.91 H new ATOM 0 HH21 ARG A 118 12.149 28.750 9.428 1.00 13.09 H new ATOM 0 HH22 ARG A 118 11.142 29.897 10.318 1.00 13.09 H new ATOM 1949 N ASP A 119 9.125 24.877 5.913 1.00 11.16 N ATOM 1950 CA ASP A 119 8.390 25.794 5.056 1.00 11.89 C ATOM 1951 C ASP A 119 9.152 25.993 3.757 1.00 12.21 C ATOM 1952 O ASP A 119 10.265 25.431 3.642 1.00 0.00 O ATOM 1953 CB ASP A 119 8.142 27.137 5.754 1.00 12.51 C ATOM 1954 CG ASP A 119 9.406 27.904 6.089 1.00 13.33 C ATOM 1955 OD1 ASP A 119 10.122 28.334 5.164 1.00 13.70 O ATOM 1956 OD2 ASP A 119 9.677 28.106 7.287 1.00 13.75 O ATOM 1957 OXT ASP A 119 8.641 26.687 2.855 1.00 0.00 O ATOM 0 H ASP A 119 10.065 24.664 5.579 1.00 11.16 H new ATOM 0 HA ASP A 119 7.414 25.360 4.838 1.00 11.89 H new ATOM 0 HB2 ASP A 119 7.513 27.756 5.114 1.00 12.51 H new ATOM 0 HB3 ASP A 119 7.584 26.959 6.673 1.00 12.51 H new TER 1962 ASP A 119