USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=28 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 73 THR OG1 : rot 180:sc= 0.645 USER MOD Set 1.2: A 89 LYS NZ :NH3+ 162:sc= 1.37 (180deg=0.833) USER MOD Set 2.1: A 40 THR OG1 : rot 30:sc= 0.601 USER MOD Set 2.2: A 42 GLN : amide:sc= 0.155 X(o=0.76,f=0.89) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0513 (180deg=-0.271) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.085 USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0361) USER MOD Single : A 13 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0.00395 (180deg=-0.0139) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0493 X(o=-0.049,f=-0.055) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.878 (180deg=-0.891) USER MOD Single : A 38 MET CE :methyl -129:sc= -0.0934 (180deg=-2.55!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 47 SER OG : rot 180:sc= -0.046 USER MOD Single : A 50 SER OG : rot -5:sc= 0.948 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00271 USER MOD Single : A 53 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=-0.32) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 70:sc= 1.2 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.104 USER MOD Single : A 63 ASN : amide:sc= -0.0559 K(o=-0.056,f=-1) USER MOD Single : A 66 GLN : amide:sc= -1.98! K(o=-2!,f=-0.052) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -85:sc= 1.31 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.071) USER MOD Single : A 79 GLN : amide:sc= -0.466 K(o=-0.47,f=-3.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 96 SER OG : rot 130:sc= -0.703 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= -0.0818 (180deg=-0.363) USER MOD Single : A 111 GLN : amide:sc= 0.754 K(o=0.75,f=-7.8!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.655 0.669 16.770 1.00 16.25 N ATOM 2 CA MET A 1 15.080 0.088 15.471 1.00 15.99 C ATOM 3 C MET A 1 14.771 -1.405 15.419 1.00 15.41 C ATOM 4 O MET A 1 15.667 -2.241 15.297 1.00 15.45 O ATOM 5 CB MET A 1 16.580 0.345 15.274 1.00 16.51 C ATOM 6 CG MET A 1 17.449 -0.154 16.412 1.00 16.79 C ATOM 7 SD MET A 1 19.193 0.198 16.149 1.00 17.24 S ATOM 8 CE MET A 1 19.870 -0.325 17.720 1.00 17.83 C ATOM 0 H1 MET A 1 15.051 1.625 16.869 1.00 16.25 H new ATOM 0 H2 MET A 1 13.617 0.719 16.805 1.00 16.25 H new ATOM 0 H3 MET A 1 14.999 0.070 17.547 1.00 16.25 H new ATOM 0 HA MET A 1 14.525 0.565 14.663 1.00 15.99 H new ATOM 0 HB2 MET A 1 16.901 -0.134 14.349 1.00 16.51 H new ATOM 0 HB3 MET A 1 16.741 1.416 15.151 1.00 16.51 H new ATOM 0 HG2 MET A 1 17.124 0.309 17.344 1.00 16.79 H new ATOM 0 HG3 MET A 1 17.311 -1.229 16.526 1.00 16.79 H new ATOM 0 HE1 MET A 1 20.949 -0.171 17.720 1.00 17.83 H new ATOM 0 HE2 MET A 1 19.420 0.259 18.523 1.00 17.83 H new ATOM 0 HE3 MET A 1 19.654 -1.382 17.876 1.00 17.83 H new ATOM 20 N GLY A 2 13.492 -1.734 15.518 1.00 15.02 N ATOM 21 CA GLY A 2 13.081 -3.122 15.489 1.00 14.60 C ATOM 22 C GLY A 2 11.987 -3.407 16.492 1.00 13.81 C ATOM 23 O GLY A 2 10.897 -3.860 16.131 1.00 13.66 O ATOM 0 H GLY A 2 12.730 -1.063 15.618 1.00 15.02 H new ATOM 0 HA2 GLY A 2 12.731 -3.376 14.488 1.00 14.60 H new ATOM 0 HA3 GLY A 2 13.940 -3.759 15.698 1.00 14.60 H new ATOM 27 N ASP A 3 12.304 -3.125 17.754 1.00 13.48 N ATOM 28 CA ASP A 3 11.400 -3.319 18.894 1.00 12.89 C ATOM 29 C ASP A 3 10.528 -4.566 18.749 1.00 12.18 C ATOM 30 O ASP A 3 11.027 -5.688 18.777 1.00 12.23 O ATOM 31 CB ASP A 3 10.528 -2.082 19.110 1.00 13.20 C ATOM 32 CG ASP A 3 11.300 -0.924 19.706 1.00 13.55 C ATOM 33 OD1 ASP A 3 11.715 -1.017 20.881 1.00 13.96 O ATOM 34 OD2 ASP A 3 11.514 0.080 18.999 1.00 13.59 O ATOM 0 H ASP A 3 13.213 -2.748 18.022 1.00 13.48 H new ATOM 0 HA ASP A 3 12.030 -3.470 19.771 1.00 12.89 H new ATOM 0 HB2 ASP A 3 10.097 -1.775 18.157 1.00 13.20 H new ATOM 0 HB3 ASP A 3 9.697 -2.338 19.768 1.00 13.20 H new ATOM 39 N THR A 4 9.224 -4.371 18.603 1.00 11.73 N ATOM 40 CA THR A 4 8.300 -5.483 18.465 1.00 11.23 C ATOM 41 C THR A 4 7.691 -5.516 17.065 1.00 10.51 C ATOM 42 O THR A 4 6.523 -5.175 16.868 1.00 10.53 O ATOM 43 CB THR A 4 7.223 -5.379 19.545 1.00 11.64 C ATOM 44 OG1 THR A 4 6.802 -4.029 19.702 1.00 12.39 O ATOM 45 CG2 THR A 4 7.705 -5.880 20.890 1.00 11.87 C ATOM 0 H THR A 4 8.784 -3.451 18.577 1.00 11.73 H new ATOM 0 HA THR A 4 8.839 -6.421 18.598 1.00 11.23 H new ATOM 0 HB THR A 4 6.395 -6.005 19.212 1.00 11.64 H new ATOM 0 HG1 THR A 4 6.111 -3.980 20.396 1.00 12.39 H new ATOM 0 HG21 THR A 4 6.903 -5.785 21.622 1.00 11.87 H new ATOM 0 HG22 THR A 4 7.997 -6.927 20.805 1.00 11.87 H new ATOM 0 HG23 THR A 4 8.563 -5.290 21.212 1.00 11.87 H new ATOM 53 N GLY A 5 8.501 -5.921 16.090 1.00 10.10 N ATOM 54 CA GLY A 5 8.046 -5.986 14.712 1.00 9.63 C ATOM 55 C GLY A 5 7.764 -4.607 14.145 1.00 9.04 C ATOM 56 O GLY A 5 6.893 -4.435 13.288 1.00 9.05 O ATOM 0 H GLY A 5 9.470 -6.207 16.232 1.00 10.10 H new ATOM 0 HA2 GLY A 5 8.802 -6.482 14.103 1.00 9.63 H new ATOM 0 HA3 GLY A 5 7.143 -6.594 14.656 1.00 9.63 H new ATOM 60 N LYS A 6 8.507 -3.624 14.634 1.00 8.78 N ATOM 61 CA LYS A 6 8.353 -2.247 14.194 1.00 8.49 C ATOM 62 C LYS A 6 9.600 -1.792 13.449 1.00 7.56 C ATOM 63 O LYS A 6 10.707 -2.235 13.754 1.00 7.43 O ATOM 64 CB LYS A 6 8.070 -1.345 15.398 1.00 9.13 C ATOM 65 CG LYS A 6 6.767 -1.693 16.096 1.00 9.99 C ATOM 66 CD LYS A 6 6.586 -0.908 17.382 1.00 10.66 C ATOM 67 CE LYS A 6 5.350 -1.358 18.149 1.00 11.46 C ATOM 68 NZ LYS A 6 4.089 -1.165 17.381 1.00 11.90 N ATOM 0 H LYS A 6 9.229 -3.758 15.342 1.00 8.78 H new ATOM 0 HA LYS A 6 7.508 -2.180 13.509 1.00 8.49 H new ATOM 0 HB2 LYS A 6 8.892 -1.427 16.109 1.00 9.13 H new ATOM 0 HB3 LYS A 6 8.035 -0.306 15.069 1.00 9.13 H new ATOM 0 HG2 LYS A 6 5.931 -1.490 15.426 1.00 9.99 H new ATOM 0 HG3 LYS A 6 6.747 -2.760 16.316 1.00 9.99 H new ATOM 0 HD2 LYS A 6 7.468 -1.031 18.010 1.00 10.66 H new ATOM 0 HD3 LYS A 6 6.504 0.154 17.151 1.00 10.66 H new ATOM 0 HE2 LYS A 6 5.454 -2.411 18.409 1.00 11.46 H new ATOM 0 HE3 LYS A 6 5.288 -0.803 19.085 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 3.276 -1.408 17.982 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 4.013 -0.172 17.082 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 4.096 -1.780 16.542 1.00 11.90 H new ATOM 82 N LEU A 7 9.400 -0.941 12.448 1.00 7.18 N ATOM 83 CA LEU A 7 10.483 -0.435 11.609 1.00 6.55 C ATOM 84 C LEU A 7 11.094 -1.551 10.773 1.00 5.97 C ATOM 85 O LEU A 7 10.467 -2.589 10.547 1.00 6.20 O ATOM 86 CB LEU A 7 11.564 0.284 12.428 1.00 7.03 C ATOM 87 CG LEU A 7 11.163 1.662 12.964 1.00 7.64 C ATOM 88 CD1 LEU A 7 12.281 2.244 13.809 1.00 8.38 C ATOM 89 CD2 LEU A 7 10.812 2.603 11.822 1.00 7.67 C ATOM 0 H LEU A 7 8.480 -0.581 12.194 1.00 7.18 H new ATOM 0 HA LEU A 7 10.044 0.301 10.936 1.00 6.55 H new ATOM 0 HB2 LEU A 7 11.842 -0.350 13.270 1.00 7.03 H new ATOM 0 HB3 LEU A 7 12.453 0.397 11.808 1.00 7.03 H new ATOM 0 HG LEU A 7 10.279 1.544 13.590 1.00 7.64 H new ATOM 0 HD11 LEU A 7 11.982 3.223 14.183 1.00 8.38 H new ATOM 0 HD12 LEU A 7 12.485 1.581 14.650 1.00 8.38 H new ATOM 0 HD13 LEU A 7 13.180 2.347 13.202 1.00 8.38 H new ATOM 0 HD21 LEU A 7 10.530 3.576 12.225 1.00 7.67 H new ATOM 0 HD22 LEU A 7 11.676 2.718 11.167 1.00 7.67 H new ATOM 0 HD23 LEU A 7 9.978 2.191 11.254 1.00 7.67 H new ATOM 101 N GLY A 8 12.287 -1.301 10.259 1.00 5.56 N ATOM 102 CA GLY A 8 12.940 -2.257 9.392 1.00 5.28 C ATOM 103 C GLY A 8 12.660 -1.859 7.968 1.00 4.37 C ATOM 104 O GLY A 8 13.549 -1.812 7.120 1.00 4.43 O ATOM 0 H GLY A 8 12.818 -0.447 10.428 1.00 5.56 H new ATOM 0 HA2 GLY A 8 14.014 -2.271 9.580 1.00 5.28 H new ATOM 0 HA3 GLY A 8 12.569 -3.263 9.587 1.00 5.28 H new ATOM 108 N ARG A 9 11.410 -1.493 7.751 1.00 3.85 N ATOM 109 CA ARG A 9 10.938 -1.000 6.481 1.00 3.14 C ATOM 110 C ARG A 9 10.565 0.452 6.709 1.00 2.98 C ATOM 111 O ARG A 9 9.887 0.752 7.690 1.00 3.23 O ATOM 112 CB ARG A 9 9.715 -1.788 6.008 1.00 2.97 C ATOM 113 CG ARG A 9 9.926 -3.291 5.956 1.00 3.11 C ATOM 114 CD ARG A 9 10.919 -3.689 4.876 1.00 3.35 C ATOM 115 NE ARG A 9 10.990 -5.141 4.694 1.00 3.78 N ATOM 116 CZ ARG A 9 11.496 -5.986 5.592 1.00 4.27 C ATOM 117 NH1 ARG A 9 11.998 -5.532 6.734 1.00 4.46 N ATOM 118 NH2 ARG A 9 11.473 -7.289 5.358 1.00 4.95 N ATOM 0 H ARG A 9 10.686 -1.533 8.468 1.00 3.85 H new ATOM 0 HA ARG A 9 11.703 -1.107 5.712 1.00 3.14 H new ATOM 0 HB2 ARG A 9 8.878 -1.572 6.673 1.00 2.97 H new ATOM 0 HB3 ARG A 9 9.432 -1.437 5.015 1.00 2.97 H new ATOM 0 HG2 ARG A 9 10.284 -3.641 6.924 1.00 3.11 H new ATOM 0 HG3 ARG A 9 8.972 -3.785 5.771 1.00 3.11 H new ATOM 0 HD2 ARG A 9 10.635 -3.220 3.934 1.00 3.35 H new ATOM 0 HD3 ARG A 9 11.907 -3.309 5.136 1.00 3.35 H new ATOM 0 HE ARG A 9 10.629 -5.531 3.823 1.00 3.78 H new ATOM 0 HH11 ARG A 9 11.998 -4.531 6.929 1.00 4.46 H new ATOM 0 HH12 ARG A 9 12.384 -6.184 7.417 1.00 4.46 H new ATOM 0 HH21 ARG A 9 11.069 -7.645 4.492 1.00 4.95 H new ATOM 0 HH22 ARG A 9 11.860 -7.937 6.044 1.00 4.95 H new ATOM 132 N ILE A 10 11.038 1.337 5.842 1.00 2.78 N ATOM 133 CA ILE A 10 10.791 2.779 5.961 1.00 2.70 C ATOM 134 C ILE A 10 9.353 3.096 6.392 1.00 2.20 C ATOM 135 O ILE A 10 9.140 3.912 7.287 1.00 2.49 O ATOM 136 CB ILE A 10 11.114 3.500 4.630 1.00 2.80 C ATOM 137 CG1 ILE A 10 10.853 5.011 4.728 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.317 2.891 3.490 1.00 2.55 C ATOM 139 CD1 ILE A 10 11.756 5.721 5.716 1.00 3.25 C ATOM 0 H ILE A 10 11.605 1.081 5.034 1.00 2.78 H new ATOM 0 HA ILE A 10 11.455 3.146 6.743 1.00 2.70 H new ATOM 0 HB ILE A 10 12.176 3.363 4.427 1.00 2.80 H new ATOM 0 HG12 ILE A 10 10.984 5.458 3.743 1.00 2.80 H new ATOM 0 HG13 ILE A 10 9.814 5.174 5.016 1.00 2.80 H new ATOM 0 HG21 ILE A 10 10.556 3.409 2.561 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.571 1.835 3.392 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.251 2.990 3.697 1.00 2.55 H new ATOM 0 HD11 ILE A 10 11.514 6.784 5.731 1.00 3.25 H new ATOM 0 HD12 ILE A 10 11.608 5.301 6.711 1.00 3.25 H new ATOM 0 HD13 ILE A 10 12.796 5.590 5.418 1.00 3.25 H new ATOM 151 N ILE A 11 8.375 2.447 5.777 1.00 1.98 N ATOM 152 CA ILE A 11 6.991 2.683 6.141 1.00 1.56 C ATOM 153 C ILE A 11 6.375 1.420 6.743 1.00 1.31 C ATOM 154 O ILE A 11 6.836 0.949 7.780 1.00 1.71 O ATOM 155 CB ILE A 11 6.159 3.183 4.946 1.00 1.37 C ATOM 156 CG1 ILE A 11 6.998 4.126 4.071 1.00 1.94 C ATOM 157 CG2 ILE A 11 4.912 3.898 5.450 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.232 4.729 2.916 1.00 2.05 C ATOM 0 H ILE A 11 8.514 1.762 5.034 1.00 1.98 H new ATOM 0 HA ILE A 11 6.978 3.472 6.893 1.00 1.56 H new ATOM 0 HB ILE A 11 5.857 2.328 4.341 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.391 4.930 4.693 1.00 1.94 H new ATOM 0 HG13 ILE A 11 7.855 3.577 3.680 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.326 4.250 4.601 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.312 3.208 6.044 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.204 4.748 6.067 1.00 1.05 H new ATOM 0 HD11 ILE A 11 6.891 5.383 2.344 1.00 2.05 H new ATOM 0 HD12 ILE A 11 5.861 3.933 2.270 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.391 5.307 3.299 1.00 2.05 H new ATOM 170 N ARG A 12 5.331 0.875 6.131 1.00 0.96 N ATOM 171 CA ARG A 12 4.688 -0.315 6.685 1.00 1.02 C ATOM 172 C ARG A 12 4.125 -1.235 5.628 1.00 0.77 C ATOM 173 O ARG A 12 3.947 -0.854 4.470 1.00 0.91 O ATOM 174 CB ARG A 12 3.521 0.065 7.595 1.00 1.53 C ATOM 175 CG ARG A 12 3.923 0.693 8.911 1.00 2.10 C ATOM 176 CD ARG A 12 2.706 1.002 9.767 1.00 2.67 C ATOM 177 NE ARG A 12 1.939 -0.201 10.083 1.00 3.29 N ATOM 178 CZ ARG A 12 2.325 -1.107 10.979 1.00 3.98 C ATOM 179 NH1 ARG A 12 3.079 -0.707 11.995 1.00 4.30 N ATOM 180 NH2 ARG A 12 1.606 -2.211 11.123 1.00 4.72 N ATOM 0 H ARG A 12 4.916 1.227 5.268 1.00 0.96 H new ATOM 0 HA ARG A 12 5.478 -0.829 7.233 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.872 0.759 7.060 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.932 -0.829 7.800 1.00 1.53 H new ATOM 0 HG2 ARG A 12 4.589 0.019 9.450 1.00 2.10 H new ATOM 0 HG3 ARG A 12 4.482 1.610 8.724 1.00 2.10 H new ATOM 0 HD2 ARG A 12 3.026 1.481 10.692 1.00 2.67 H new ATOM 0 HD3 ARG A 12 2.066 1.713 9.244 1.00 2.67 H new ATOM 0 HE ARG A 12 1.059 -0.355 9.590 1.00 3.29 H new ATOM 0 HH11 ARG A 12 3.349 0.273 12.075 1.00 4.30 H new ATOM 0 HH12 ARG A 12 3.389 -1.380 12.696 1.00 4.30 H new ATOM 0 HH21 ARG A 12 0.773 -2.355 10.553 1.00 4.72 H new ATOM 0 HH22 ARG A 12 1.886 -2.917 11.804 1.00 4.72 H new ATOM 194 N HIS A 13 3.801 -2.442 6.072 1.00 0.70 N ATOM 195 CA HIS A 13 3.192 -3.458 5.235 1.00 0.68 C ATOM 196 C HIS A 13 2.009 -4.043 6.022 1.00 0.74 C ATOM 197 O HIS A 13 2.171 -4.401 7.190 1.00 1.04 O ATOM 198 CB HIS A 13 4.216 -4.550 4.851 1.00 0.93 C ATOM 199 CG HIS A 13 4.496 -5.576 5.914 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.181 -5.300 7.077 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.128 -6.878 6.000 1.00 1.46 C ATOM 202 CE1 HIS A 13 5.217 -6.381 7.832 1.00 1.98 C ATOM 203 NE2 HIS A 13 4.581 -7.354 7.204 1.00 1.80 N ATOM 0 H HIS A 13 3.957 -2.743 7.034 1.00 0.70 H new ATOM 0 HA HIS A 13 2.843 -3.026 4.297 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.856 -5.064 3.960 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.154 -4.065 4.582 1.00 0.93 H new ATOM 0 HD2 HIS A 13 3.579 -7.438 5.257 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.687 -6.458 8.801 1.00 1.98 H new ATOM 0 HE2 HIS A 13 4.449 -8.302 7.556 1.00 1.80 H new ATOM 212 N ASP A 14 0.823 -4.094 5.428 1.00 0.60 N ATOM 213 CA ASP A 14 -0.355 -4.597 6.145 1.00 0.69 C ATOM 214 C ASP A 14 -1.415 -5.140 5.186 1.00 0.61 C ATOM 215 O ASP A 14 -1.539 -4.675 4.054 1.00 0.86 O ATOM 216 CB ASP A 14 -0.933 -3.478 7.023 1.00 0.83 C ATOM 217 CG ASP A 14 -0.891 -3.802 8.509 1.00 1.31 C ATOM 218 OD1 ASP A 14 -1.490 -4.815 8.927 1.00 2.03 O ATOM 219 OD2 ASP A 14 -0.245 -3.035 9.271 1.00 1.78 O ATOM 0 H ASP A 14 0.646 -3.800 4.467 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.045 -5.429 6.777 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.376 -2.558 6.842 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.965 -3.289 6.728 1.00 0.83 H new ATOM 224 N ALA A 15 -2.142 -6.157 5.633 1.00 0.75 N ATOM 225 CA ALA A 15 -3.163 -6.811 4.817 1.00 0.71 C ATOM 226 C ALA A 15 -4.513 -6.095 4.846 1.00 0.68 C ATOM 227 O ALA A 15 -5.128 -5.942 5.902 1.00 0.88 O ATOM 228 CB ALA A 15 -3.325 -8.247 5.291 1.00 0.84 C ATOM 0 H ALA A 15 -2.042 -6.552 6.568 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.824 -6.778 3.782 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -4.085 -8.745 4.689 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.376 -8.774 5.187 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.630 -8.253 6.337 1.00 0.84 H new ATOM 234 N PHE A 16 -4.989 -5.684 3.675 1.00 0.60 N ATOM 235 CA PHE A 16 -6.283 -5.021 3.583 1.00 0.67 C ATOM 236 C PHE A 16 -7.186 -5.734 2.583 1.00 0.68 C ATOM 237 O PHE A 16 -6.968 -5.649 1.371 1.00 1.00 O ATOM 238 CB PHE A 16 -6.162 -3.547 3.169 1.00 0.77 C ATOM 239 CG PHE A 16 -5.374 -2.680 4.116 1.00 1.09 C ATOM 240 CD1 PHE A 16 -3.987 -2.716 4.150 1.00 1.83 C ATOM 241 CD2 PHE A 16 -6.036 -1.825 4.980 1.00 1.74 C ATOM 242 CE1 PHE A 16 -3.281 -1.909 5.025 1.00 2.36 C ATOM 243 CE2 PHE A 16 -5.335 -1.019 5.856 1.00 2.26 C ATOM 244 CZ PHE A 16 -3.958 -1.063 5.878 1.00 2.35 C ATOM 0 H PHE A 16 -4.503 -5.797 2.785 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.717 -5.064 4.582 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.697 -3.499 2.185 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.164 -3.131 3.068 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -3.453 -3.381 3.487 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -7.115 -1.787 4.969 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -2.202 -1.942 5.040 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -5.866 -0.355 6.523 1.00 2.26 H new ATOM 0 HZ PHE A 16 -3.409 -0.435 6.564 1.00 2.35 H new ATOM 254 N GLN A 17 -8.205 -6.428 3.077 1.00 0.59 N ATOM 255 CA GLN A 17 -9.137 -7.117 2.202 1.00 0.60 C ATOM 256 C GLN A 17 -10.063 -6.071 1.617 1.00 0.64 C ATOM 257 O GLN A 17 -10.798 -5.401 2.344 1.00 0.95 O ATOM 258 CB GLN A 17 -9.921 -8.189 2.970 1.00 0.74 C ATOM 259 CG GLN A 17 -10.838 -9.033 2.096 1.00 1.07 C ATOM 260 CD GLN A 17 -11.548 -10.125 2.878 1.00 1.26 C ATOM 261 OE1 GLN A 17 -10.911 -10.954 3.531 1.00 1.81 O ATOM 262 NE2 GLN A 17 -12.871 -10.137 2.821 1.00 1.63 N ATOM 0 H GLN A 17 -8.403 -6.526 4.073 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.603 -7.635 1.406 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -9.215 -8.846 3.478 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.518 -7.704 3.742 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.580 -8.388 1.625 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.254 -9.486 1.295 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -13.364 -9.434 2.270 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -13.397 -10.849 3.328 1.00 1.63 H new ATOM 271 N VAL A 18 -10.017 -5.925 0.304 1.00 0.51 N ATOM 272 CA VAL A 18 -10.834 -4.953 -0.389 1.00 0.59 C ATOM 273 C VAL A 18 -10.948 -5.269 -1.862 1.00 0.60 C ATOM 274 O VAL A 18 -10.471 -6.298 -2.347 1.00 1.04 O ATOM 275 CB VAL A 18 -10.306 -3.508 -0.270 1.00 0.83 C ATOM 276 CG1 VAL A 18 -11.258 -2.672 0.560 1.00 1.24 C ATOM 277 CG2 VAL A 18 -8.885 -3.461 0.264 1.00 0.84 C ATOM 0 H VAL A 18 -9.414 -6.476 -0.307 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.806 -5.018 0.100 1.00 0.59 H new ATOM 0 HB VAL A 18 -10.263 -3.078 -1.271 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -10.876 -1.654 0.637 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -12.238 -2.656 0.084 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -11.346 -3.103 1.557 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -8.555 -2.424 0.331 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -8.853 -3.916 1.254 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -8.225 -4.009 -0.409 1.00 0.84 H new ATOM 287 N TRP A 19 -11.601 -4.359 -2.546 1.00 0.63 N ATOM 288 CA TRP A 19 -11.856 -4.448 -3.963 1.00 0.65 C ATOM 289 C TRP A 19 -10.835 -3.624 -4.757 1.00 0.68 C ATOM 290 O TRP A 19 -10.697 -2.420 -4.540 1.00 1.04 O ATOM 291 CB TRP A 19 -13.265 -3.917 -4.203 1.00 0.72 C ATOM 292 CG TRP A 19 -14.287 -4.486 -3.251 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.051 -5.605 -3.432 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.626 -3.980 -1.945 1.00 0.78 C ATOM 295 NE1 TRP A 19 -15.875 -5.797 -2.348 1.00 0.90 N ATOM 296 CE2 TRP A 19 -15.631 -4.820 -1.423 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.195 -2.891 -1.172 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.204 -4.610 -0.171 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.766 -2.693 0.072 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.763 -3.543 0.558 1.00 0.96 C ATOM 0 H TRP A 19 -11.980 -3.513 -2.119 1.00 0.63 H new ATOM 0 HA TRP A 19 -11.767 -5.481 -4.298 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.257 -2.831 -4.110 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -13.563 -4.147 -5.226 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.013 -6.246 -4.301 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -16.559 -6.548 -2.250 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.433 -2.221 -1.541 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -16.971 -5.268 0.210 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.435 -1.864 0.680 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.193 -3.352 1.530 1.00 0.96 H new ATOM 311 N GLU A 20 -10.121 -4.276 -5.664 1.00 0.69 N ATOM 312 CA GLU A 20 -9.114 -3.605 -6.487 1.00 0.77 C ATOM 313 C GLU A 20 -9.181 -4.136 -7.914 1.00 1.18 C ATOM 314 O GLU A 20 -8.886 -5.307 -8.165 1.00 1.81 O ATOM 315 CB GLU A 20 -7.718 -3.820 -5.903 1.00 1.04 C ATOM 316 CG GLU A 20 -6.592 -3.141 -6.662 1.00 1.26 C ATOM 317 CD GLU A 20 -6.117 -3.970 -7.829 1.00 1.90 C ATOM 318 OE1 GLU A 20 -5.674 -5.116 -7.601 1.00 2.42 O ATOM 319 OE2 GLU A 20 -6.211 -3.492 -8.975 1.00 2.62 O ATOM 0 H GLU A 20 -10.218 -5.274 -5.852 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.319 -2.534 -6.496 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -7.712 -3.459 -4.874 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -7.517 -4.891 -5.866 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -6.931 -2.170 -7.022 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -5.758 -2.957 -5.985 1.00 1.26 H new ATOM 326 N GLY A 21 -9.625 -3.291 -8.823 1.00 1.49 N ATOM 327 CA GLY A 21 -9.777 -3.677 -10.215 1.00 1.95 C ATOM 328 C GLY A 21 -11.233 -3.648 -10.625 1.00 2.05 C ATOM 329 O GLY A 21 -11.885 -2.607 -10.522 1.00 2.48 O ATOM 0 H GLY A 21 -9.889 -2.326 -8.622 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -9.203 -3.002 -10.849 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -9.372 -4.678 -10.366 1.00 1.95 H new ATOM 333 N ASP A 22 -11.763 -4.792 -11.049 1.00 2.34 N ATOM 334 CA ASP A 22 -13.176 -4.909 -11.437 1.00 2.75 C ATOM 335 C ASP A 22 -14.029 -5.013 -10.167 1.00 2.43 C ATOM 336 O ASP A 22 -14.998 -5.768 -10.110 1.00 2.85 O ATOM 337 CB ASP A 22 -13.382 -6.162 -12.303 1.00 3.62 C ATOM 338 CG ASP A 22 -14.242 -5.922 -13.526 1.00 4.19 C ATOM 339 OD1 ASP A 22 -15.393 -5.468 -13.382 1.00 4.65 O ATOM 340 OD2 ASP A 22 -13.768 -6.205 -14.646 1.00 4.60 O ATOM 0 H ASP A 22 -11.235 -5.660 -11.135 1.00 2.34 H new ATOM 0 HA ASP A 22 -13.472 -4.033 -12.014 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -12.409 -6.537 -12.622 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -13.840 -6.942 -11.695 1.00 3.62 H new ATOM 345 N GLU A 23 -13.597 -4.272 -9.144 1.00 2.07 N ATOM 346 CA GLU A 23 -14.217 -4.249 -7.813 1.00 2.37 C ATOM 347 C GLU A 23 -14.370 -5.666 -7.223 1.00 1.70 C ATOM 348 O GLU A 23 -15.433 -6.038 -6.727 1.00 1.86 O ATOM 349 CB GLU A 23 -15.550 -3.501 -7.834 1.00 3.34 C ATOM 350 CG GLU A 23 -16.075 -3.171 -6.441 1.00 4.22 C ATOM 351 CD GLU A 23 -17.269 -2.251 -6.457 1.00 5.12 C ATOM 352 OE1 GLU A 23 -17.126 -1.098 -6.914 1.00 5.78 O ATOM 353 OE2 GLU A 23 -18.350 -2.663 -5.988 1.00 5.52 O ATOM 0 H GLU A 23 -12.787 -3.656 -9.218 1.00 2.07 H new ATOM 0 HA GLU A 23 -13.543 -3.703 -7.153 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -15.432 -2.577 -8.399 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -16.290 -4.104 -8.361 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -16.345 -4.097 -5.933 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -15.277 -2.709 -5.859 1.00 4.22 H new ATOM 360 N PRO A 24 -13.295 -6.484 -7.261 1.00 1.42 N ATOM 361 CA PRO A 24 -13.306 -7.836 -6.735 1.00 1.17 C ATOM 362 C PRO A 24 -12.700 -7.907 -5.336 1.00 0.97 C ATOM 363 O PRO A 24 -11.585 -7.418 -5.113 1.00 1.08 O ATOM 364 CB PRO A 24 -12.417 -8.562 -7.745 1.00 1.65 C ATOM 365 CG PRO A 24 -11.435 -7.528 -8.225 1.00 2.09 C ATOM 366 CD PRO A 24 -11.972 -6.174 -7.818 1.00 2.00 C ATOM 0 HA PRO A 24 -14.307 -8.253 -6.627 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -11.905 -9.406 -7.283 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -13.005 -8.960 -8.572 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -10.452 -7.699 -7.786 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -11.316 -7.585 -9.307 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -11.329 -5.692 -7.081 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -12.043 -5.498 -8.670 1.00 2.00 H new ATOM 374 N PRO A 25 -13.402 -8.517 -4.370 1.00 0.88 N ATOM 375 CA PRO A 25 -12.878 -8.635 -3.024 1.00 0.77 C ATOM 376 C PRO A 25 -11.739 -9.625 -2.991 1.00 0.74 C ATOM 377 O PRO A 25 -11.925 -10.841 -3.095 1.00 0.92 O ATOM 378 CB PRO A 25 -14.051 -9.096 -2.183 1.00 0.92 C ATOM 379 CG PRO A 25 -15.063 -9.652 -3.136 1.00 1.08 C ATOM 380 CD PRO A 25 -14.728 -9.146 -4.518 1.00 1.09 C ATOM 0 HA PRO A 25 -12.471 -7.696 -2.648 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.739 -9.853 -1.463 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.469 -8.267 -1.613 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.048 -10.742 -3.115 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.068 -9.341 -2.849 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -14.703 -9.959 -5.243 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.470 -8.429 -4.869 1.00 1.09 H new ATOM 388 N LYS A 26 -10.556 -9.077 -2.912 1.00 0.65 N ATOM 389 CA LYS A 26 -9.340 -9.872 -2.932 1.00 0.73 C ATOM 390 C LYS A 26 -8.543 -9.677 -1.645 1.00 0.66 C ATOM 391 O LYS A 26 -8.836 -8.770 -0.861 1.00 0.88 O ATOM 392 CB LYS A 26 -8.509 -9.501 -4.170 1.00 0.95 C ATOM 393 CG LYS A 26 -7.787 -10.684 -4.794 1.00 1.34 C ATOM 394 CD LYS A 26 -7.214 -10.357 -6.168 1.00 1.42 C ATOM 395 CE LYS A 26 -8.305 -10.014 -7.180 1.00 1.61 C ATOM 396 NZ LYS A 26 -9.125 -11.202 -7.561 1.00 2.20 N ATOM 0 H LYS A 26 -10.400 -8.072 -2.832 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.601 -10.929 -2.991 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -9.164 -9.051 -4.916 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -7.776 -8.744 -3.892 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -6.981 -11.003 -4.134 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -8.478 -11.523 -4.882 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -6.524 -9.518 -6.082 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -6.638 -11.208 -6.532 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -8.956 -9.246 -6.762 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -7.847 -9.591 -8.074 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -9.646 -10.998 -8.438 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -8.501 -12.020 -7.712 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -9.800 -11.417 -6.799 1.00 2.20 H new ATOM 410 N LEU A 27 -7.526 -10.506 -1.446 1.00 0.67 N ATOM 411 CA LEU A 27 -6.671 -10.415 -0.274 1.00 0.65 C ATOM 412 C LEU A 27 -5.331 -9.848 -0.706 1.00 0.67 C ATOM 413 O LEU A 27 -4.543 -10.529 -1.353 1.00 1.02 O ATOM 414 CB LEU A 27 -6.475 -11.802 0.353 1.00 0.76 C ATOM 415 CG LEU A 27 -5.630 -11.836 1.638 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.246 -10.961 2.736 1.00 1.31 C ATOM 417 CD2 LEU A 27 -5.433 -13.279 2.104 1.00 1.23 C ATOM 0 H LEU A 27 -7.273 -11.256 -2.090 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.132 -9.767 0.471 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.456 -12.224 0.573 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.007 -12.452 -0.386 1.00 0.76 H new ATOM 0 HG LEU A 27 -4.648 -11.417 1.416 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.624 -11.008 3.630 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -6.305 -9.930 2.389 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -7.247 -11.323 2.971 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -4.833 -13.289 3.014 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -6.404 -13.732 2.304 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -4.921 -13.846 1.326 1.00 1.23 H new ATOM 429 N ARG A 28 -5.084 -8.591 -0.401 1.00 0.57 N ATOM 430 CA ARG A 28 -3.842 -7.976 -0.827 1.00 0.59 C ATOM 431 C ARG A 28 -3.087 -7.325 0.315 1.00 0.55 C ATOM 432 O ARG A 28 -3.608 -6.445 1.002 1.00 0.64 O ATOM 433 CB ARG A 28 -4.125 -6.932 -1.891 1.00 0.71 C ATOM 434 CG ARG A 28 -4.867 -7.476 -3.090 1.00 1.41 C ATOM 435 CD ARG A 28 -5.142 -6.371 -4.082 1.00 1.72 C ATOM 436 NE ARG A 28 -5.909 -5.276 -3.484 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.190 -5.364 -3.139 1.00 2.42 C ATOM 438 NH1 ARG A 28 -7.949 -6.265 -3.745 1.00 2.77 N ATOM 439 NH2 ARG A 28 -7.777 -4.311 -2.579 1.00 3.18 N ATOM 0 H ARG A 28 -5.711 -7.985 0.129 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.215 -8.774 -1.225 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -4.708 -6.124 -1.449 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.181 -6.499 -2.224 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -4.279 -8.262 -3.564 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -5.806 -7.929 -2.771 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -4.198 -5.985 -4.466 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -5.690 -6.776 -4.933 1.00 1.72 H new ATOM 0 HE ARG A 28 -5.430 -4.390 -3.322 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -7.548 -6.872 -4.459 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -8.935 -6.351 -3.497 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -7.245 -3.455 -2.421 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -8.759 -4.359 -2.307 1.00 3.18 H new ATOM 453 N TYR A 29 -1.837 -7.727 0.473 1.00 0.55 N ATOM 454 CA TYR A 29 -0.977 -7.149 1.481 1.00 0.59 C ATOM 455 C TYR A 29 -0.364 -5.903 0.875 1.00 0.55 C ATOM 456 O TYR A 29 0.280 -5.986 -0.170 1.00 0.70 O ATOM 457 CB TYR A 29 0.134 -8.123 1.884 1.00 0.71 C ATOM 458 CG TYR A 29 -0.333 -9.533 2.186 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.331 -9.767 3.118 1.00 1.38 C ATOM 460 CD2 TYR A 29 0.252 -10.630 1.566 1.00 1.46 C ATOM 461 CE1 TYR A 29 -1.737 -11.051 3.426 1.00 1.55 C ATOM 462 CE2 TYR A 29 -0.155 -11.920 1.864 1.00 1.63 C ATOM 463 CZ TYR A 29 -1.147 -12.122 2.799 1.00 1.26 C ATOM 464 OH TYR A 29 -1.548 -13.402 3.116 1.00 1.58 O ATOM 0 H TYR A 29 -1.397 -8.456 -0.089 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.552 -6.920 2.378 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.870 -8.164 1.081 1.00 0.71 H new ATOM 0 HB3 TYR A 29 0.642 -7.728 2.763 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -1.800 -8.930 3.613 1.00 1.38 H new ATOM 0 HD2 TYR A 29 1.037 -10.475 0.840 1.00 1.46 H new ATOM 0 HE1 TYR A 29 -2.515 -11.213 4.157 1.00 1.55 H new ATOM 0 HE2 TYR A 29 0.302 -12.762 1.367 1.00 1.63 H new ATOM 0 HH TYR A 29 -1.035 -14.046 2.585 1.00 1.58 H new ATOM 474 N VAL A 30 -0.560 -4.760 1.501 1.00 0.48 N ATOM 475 CA VAL A 30 -0.010 -3.523 0.982 1.00 0.48 C ATOM 476 C VAL A 30 1.367 -3.287 1.592 1.00 0.49 C ATOM 477 O VAL A 30 1.571 -3.527 2.781 1.00 0.59 O ATOM 478 CB VAL A 30 -0.943 -2.320 1.279 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.371 -1.026 0.713 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.339 -2.565 0.716 1.00 0.65 C ATOM 0 H VAL A 30 -1.093 -4.661 2.365 1.00 0.48 H new ATOM 0 HA VAL A 30 0.078 -3.611 -0.101 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.014 -2.219 2.362 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.047 -0.201 0.937 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.602 -0.831 1.164 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.258 -1.120 -0.367 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -2.976 -1.708 0.936 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.277 -2.703 -0.363 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.763 -3.459 1.172 1.00 0.65 H new ATOM 490 N PHE A 31 2.305 -2.832 0.777 1.00 0.49 N ATOM 491 CA PHE A 31 3.660 -2.570 1.235 1.00 0.54 C ATOM 492 C PHE A 31 4.118 -1.202 0.750 1.00 0.52 C ATOM 493 O PHE A 31 4.519 -1.059 -0.406 1.00 0.56 O ATOM 494 CB PHE A 31 4.662 -3.614 0.706 1.00 0.61 C ATOM 495 CG PHE A 31 4.218 -5.046 0.790 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.459 -5.788 1.930 1.00 1.44 C ATOM 497 CD2 PHE A 31 3.570 -5.652 -0.277 1.00 1.22 C ATOM 498 CE1 PHE A 31 4.066 -7.107 2.011 1.00 1.49 C ATOM 499 CE2 PHE A 31 3.177 -6.974 -0.202 1.00 1.30 C ATOM 500 CZ PHE A 31 3.426 -7.701 0.943 1.00 0.85 C ATOM 0 H PHE A 31 2.151 -2.635 -0.212 1.00 0.49 H new ATOM 0 HA PHE A 31 3.638 -2.616 2.324 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.883 -3.382 -0.336 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.594 -3.509 1.261 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.962 -5.329 2.768 1.00 1.44 H new ATOM 0 HD2 PHE A 31 3.371 -5.085 -1.174 1.00 1.22 H new ATOM 0 HE1 PHE A 31 4.259 -7.674 2.909 1.00 1.49 H new ATOM 0 HE2 PHE A 31 2.676 -7.438 -1.039 1.00 1.30 H new ATOM 0 HZ PHE A 31 3.120 -8.735 1.004 1.00 0.85 H new ATOM 510 N LEU A 32 4.081 -0.203 1.618 1.00 0.57 N ATOM 511 CA LEU A 32 4.542 1.117 1.215 1.00 0.59 C ATOM 512 C LEU A 32 6.000 1.265 1.578 1.00 0.67 C ATOM 513 O LEU A 32 6.400 0.972 2.705 1.00 0.84 O ATOM 514 CB LEU A 32 3.783 2.286 1.851 1.00 0.74 C ATOM 515 CG LEU A 32 2.456 1.987 2.539 1.00 0.98 C ATOM 516 CD1 LEU A 32 2.059 3.157 3.437 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.375 1.721 1.508 1.00 1.43 C ATOM 0 H LEU A 32 3.747 -0.275 2.579 1.00 0.57 H new ATOM 0 HA LEU A 32 4.365 1.170 0.141 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.441 2.753 2.584 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.597 3.026 1.073 1.00 0.74 H new ATOM 0 HG LEU A 32 2.571 1.095 3.155 1.00 0.98 H new ATOM 0 HD11 LEU A 32 1.110 2.935 3.925 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.828 3.312 4.193 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.955 4.059 2.834 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.433 1.509 2.014 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.255 2.598 0.872 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.659 0.865 0.896 1.00 1.43 H new ATOM 529 N PHE A 33 6.789 1.727 0.632 1.00 0.75 N ATOM 530 CA PHE A 33 8.201 1.926 0.862 1.00 0.96 C ATOM 531 C PHE A 33 8.602 3.328 0.422 1.00 1.08 C ATOM 532 O PHE A 33 7.753 4.138 0.043 1.00 1.56 O ATOM 533 CB PHE A 33 9.024 0.868 0.115 1.00 1.17 C ATOM 534 CG PHE A 33 8.840 -0.528 0.645 1.00 1.36 C ATOM 535 CD1 PHE A 33 9.109 -0.826 1.975 1.00 1.79 C ATOM 536 CD2 PHE A 33 8.391 -1.543 -0.185 1.00 2.01 C ATOM 537 CE1 PHE A 33 8.926 -2.105 2.463 1.00 2.06 C ATOM 538 CE2 PHE A 33 8.213 -2.826 0.300 1.00 2.28 C ATOM 539 CZ PHE A 33 8.481 -3.106 1.624 1.00 2.01 C ATOM 0 H PHE A 33 6.474 1.972 -0.307 1.00 0.75 H new ATOM 0 HA PHE A 33 8.404 1.820 1.928 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.750 0.886 -0.940 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.080 1.133 0.174 1.00 1.17 H new ATOM 0 HD1 PHE A 33 9.465 -0.049 2.635 1.00 1.79 H new ATOM 0 HD2 PHE A 33 8.178 -1.330 -1.222 1.00 2.01 H new ATOM 0 HE1 PHE A 33 9.131 -2.322 3.501 1.00 2.06 H new ATOM 0 HE2 PHE A 33 7.864 -3.608 -0.358 1.00 2.28 H new ATOM 0 HZ PHE A 33 8.343 -4.108 2.003 1.00 2.01 H new ATOM 549 N ARG A 34 9.891 3.613 0.470 1.00 1.04 N ATOM 550 CA ARG A 34 10.386 4.914 0.071 1.00 1.17 C ATOM 551 C ARG A 34 10.472 4.962 -1.447 1.00 1.03 C ATOM 552 O ARG A 34 11.030 4.048 -2.061 1.00 1.87 O ATOM 553 CB ARG A 34 11.754 5.186 0.729 1.00 1.83 C ATOM 554 CG ARG A 34 12.194 6.650 0.714 1.00 2.51 C ATOM 555 CD ARG A 34 12.787 7.053 -0.621 1.00 3.05 C ATOM 556 NE ARG A 34 13.514 8.321 -0.542 1.00 3.66 N ATOM 557 CZ ARG A 34 14.015 8.950 -1.604 1.00 4.29 C ATOM 558 NH1 ARG A 34 13.756 8.496 -2.822 1.00 4.48 N ATOM 559 NH2 ARG A 34 14.686 10.084 -1.452 1.00 5.12 N ATOM 0 H ARG A 34 10.611 2.961 0.781 1.00 1.04 H new ATOM 0 HA ARG A 34 9.705 5.696 0.406 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.719 4.843 1.763 1.00 1.83 H new ATOM 0 HB3 ARG A 34 12.511 4.589 0.221 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.339 7.288 0.938 1.00 2.51 H new ATOM 0 HG3 ARG A 34 12.929 6.815 1.502 1.00 2.51 H new ATOM 0 HD2 ARG A 34 13.461 6.270 -0.968 1.00 3.05 H new ATOM 0 HD3 ARG A 34 11.990 7.138 -1.360 1.00 3.05 H new ATOM 0 HE ARG A 34 13.644 8.746 0.376 1.00 3.66 H new ATOM 0 HH11 ARG A 34 13.174 7.667 -2.944 1.00 4.48 H new ATOM 0 HH12 ARG A 34 14.138 8.976 -3.637 1.00 4.48 H new ATOM 0 HH21 ARG A 34 14.820 10.477 -0.520 1.00 5.12 H new ATOM 0 HH22 ARG A 34 15.069 10.563 -2.267 1.00 5.12 H new ATOM 573 N ASN A 35 9.896 6.025 -2.025 1.00 0.98 N ATOM 574 CA ASN A 35 9.868 6.258 -3.475 1.00 1.38 C ATOM 575 C ASN A 35 8.650 5.619 -4.158 1.00 1.09 C ATOM 576 O ASN A 35 8.237 6.082 -5.218 1.00 1.24 O ATOM 577 CB ASN A 35 11.179 5.800 -4.129 1.00 2.08 C ATOM 578 CG ASN A 35 11.125 5.749 -5.638 1.00 2.84 C ATOM 579 OD1 ASN A 35 10.870 6.749 -6.309 1.00 3.26 O ATOM 580 ND2 ASN A 35 11.377 4.569 -6.173 1.00 3.64 N ATOM 0 H ASN A 35 9.430 6.758 -1.490 1.00 0.98 H new ATOM 0 HA ASN A 35 9.769 7.334 -3.618 1.00 1.38 H new ATOM 0 HB2 ASN A 35 11.980 6.475 -3.826 1.00 2.08 H new ATOM 0 HB3 ASN A 35 11.436 4.811 -3.751 1.00 2.08 H new ATOM 0 HD21 ASN A 35 11.366 4.456 -7.187 1.00 3.64 H new ATOM 0 HD22 ASN A 35 11.583 3.770 -5.573 1.00 3.64 H new ATOM 587 N LYS A 36 8.042 4.599 -3.551 1.00 0.89 N ATOM 588 CA LYS A 36 6.854 3.980 -4.150 1.00 0.69 C ATOM 589 C LYS A 36 6.153 3.014 -3.198 1.00 0.66 C ATOM 590 O LYS A 36 6.663 2.682 -2.130 1.00 0.77 O ATOM 591 CB LYS A 36 7.198 3.280 -5.476 1.00 0.80 C ATOM 592 CG LYS A 36 8.255 2.186 -5.385 1.00 1.05 C ATOM 593 CD LYS A 36 7.659 0.831 -5.018 1.00 1.32 C ATOM 594 CE LYS A 36 8.634 -0.308 -5.294 1.00 1.84 C ATOM 595 NZ LYS A 36 8.030 -1.642 -5.017 1.00 2.23 N ATOM 0 H LYS A 36 8.341 4.190 -2.666 1.00 0.89 H new ATOM 0 HA LYS A 36 6.155 4.791 -4.357 1.00 0.69 H new ATOM 0 HB2 LYS A 36 6.286 2.846 -5.885 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.540 4.033 -6.186 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.773 2.105 -6.340 1.00 1.05 H new ATOM 0 HG3 LYS A 36 9.000 2.466 -4.641 1.00 1.05 H new ATOM 0 HD2 LYS A 36 7.385 0.828 -3.963 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.742 0.671 -5.586 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.956 -0.265 -6.335 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.525 -0.179 -4.679 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 8.786 -2.341 -4.868 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 7.438 -1.585 -4.164 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 7.444 -1.932 -5.826 1.00 2.23 H new ATOM 609 N ILE A 37 4.975 2.569 -3.615 1.00 0.61 N ATOM 610 CA ILE A 37 4.153 1.639 -2.855 1.00 0.60 C ATOM 611 C ILE A 37 3.886 0.408 -3.729 1.00 0.54 C ATOM 612 O ILE A 37 4.145 0.432 -4.930 1.00 0.75 O ATOM 613 CB ILE A 37 2.807 2.311 -2.467 1.00 0.73 C ATOM 614 CG1 ILE A 37 3.073 3.600 -1.684 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.911 1.377 -1.658 1.00 0.79 C ATOM 616 CD1 ILE A 37 1.814 4.309 -1.223 1.00 1.01 C ATOM 0 H ILE A 37 4.559 2.848 -4.503 1.00 0.61 H new ATOM 0 HA ILE A 37 4.669 1.347 -1.940 1.00 0.60 H new ATOM 0 HB ILE A 37 2.279 2.548 -3.390 1.00 0.73 H new ATOM 0 HG12 ILE A 37 3.686 3.365 -0.814 1.00 0.85 H new ATOM 0 HG13 ILE A 37 3.653 4.280 -2.308 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.982 1.889 -1.409 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.688 0.487 -2.246 1.00 0.79 H new ATOM 0 HG23 ILE A 37 2.422 1.087 -0.740 1.00 0.79 H new ATOM 0 HD11 ILE A 37 2.085 5.212 -0.676 1.00 1.01 H new ATOM 0 HD12 ILE A 37 1.209 4.577 -2.089 1.00 1.01 H new ATOM 0 HD13 ILE A 37 1.242 3.648 -0.572 1.00 1.01 H new ATOM 628 N MET A 38 3.369 -0.656 -3.150 1.00 0.51 N ATOM 629 CA MET A 38 3.067 -1.852 -3.910 1.00 0.59 C ATOM 630 C MET A 38 2.253 -2.814 -3.070 1.00 0.60 C ATOM 631 O MET A 38 2.136 -2.641 -1.859 1.00 0.98 O ATOM 632 CB MET A 38 4.348 -2.541 -4.377 1.00 0.75 C ATOM 633 CG MET A 38 5.137 -3.166 -3.239 1.00 1.40 C ATOM 634 SD MET A 38 6.590 -4.061 -3.812 1.00 1.72 S ATOM 635 CE MET A 38 6.990 -5.025 -2.357 1.00 2.53 C ATOM 0 H MET A 38 3.149 -0.717 -2.156 1.00 0.51 H new ATOM 0 HA MET A 38 2.490 -1.557 -4.786 1.00 0.59 H new ATOM 0 HB2 MET A 38 4.094 -3.314 -5.103 1.00 0.75 H new ATOM 0 HB3 MET A 38 4.977 -1.815 -4.892 1.00 0.75 H new ATOM 0 HG2 MET A 38 5.447 -2.385 -2.545 1.00 1.40 H new ATOM 0 HG3 MET A 38 4.491 -3.847 -2.685 1.00 1.40 H new ATOM 0 HE1 MET A 38 8.043 -4.890 -2.109 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.375 -4.693 -1.520 1.00 2.53 H new ATOM 0 HE3 MET A 38 6.796 -6.079 -2.554 1.00 2.53 H new ATOM 645 N PHE A 39 1.714 -3.832 -3.717 1.00 0.61 N ATOM 646 CA PHE A 39 0.936 -4.850 -3.043 1.00 0.71 C ATOM 647 C PHE A 39 0.890 -6.101 -3.910 1.00 0.72 C ATOM 648 O PHE A 39 1.460 -6.117 -5.002 1.00 1.08 O ATOM 649 CB PHE A 39 -0.472 -4.336 -2.662 1.00 1.11 C ATOM 650 CG PHE A 39 -1.382 -3.905 -3.791 1.00 0.58 C ATOM 651 CD1 PHE A 39 -1.832 -4.811 -4.738 1.00 1.31 C ATOM 652 CD2 PHE A 39 -1.821 -2.589 -3.876 1.00 1.32 C ATOM 653 CE1 PHE A 39 -2.698 -4.418 -5.739 1.00 1.69 C ATOM 654 CE2 PHE A 39 -2.683 -2.193 -4.883 1.00 1.66 C ATOM 655 CZ PHE A 39 -3.119 -3.109 -5.812 1.00 1.57 C ATOM 0 H PHE A 39 1.804 -3.974 -4.723 1.00 0.61 H new ATOM 0 HA PHE A 39 1.418 -5.106 -2.100 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -0.978 -5.122 -2.102 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.351 -3.490 -1.985 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -1.501 -5.838 -4.693 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -1.485 -1.867 -3.147 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -3.045 -5.138 -6.465 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -3.013 -1.166 -4.940 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.792 -2.801 -6.599 1.00 1.57 H new ATOM 665 N THR A 40 0.225 -7.140 -3.437 1.00 0.63 N ATOM 666 CA THR A 40 0.117 -8.380 -4.188 1.00 0.74 C ATOM 667 C THR A 40 -1.343 -8.796 -4.242 1.00 0.84 C ATOM 668 O THR A 40 -1.981 -8.962 -3.202 1.00 1.16 O ATOM 669 CB THR A 40 0.969 -9.478 -3.535 1.00 0.98 C ATOM 670 OG1 THR A 40 0.707 -9.565 -2.139 1.00 1.45 O ATOM 671 CG2 THR A 40 2.462 -9.277 -3.715 1.00 1.35 C ATOM 0 H THR A 40 -0.250 -7.150 -2.534 1.00 0.63 H new ATOM 0 HA THR A 40 0.488 -8.228 -5.202 1.00 0.74 H new ATOM 0 HB THR A 40 0.683 -10.397 -4.046 1.00 0.98 H new ATOM 0 HG1 THR A 40 -0.218 -9.293 -1.962 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.000 -10.090 -3.228 1.00 1.35 H new ATOM 0 HG22 THR A 40 2.702 -9.268 -4.778 1.00 1.35 H new ATOM 0 HG23 THR A 40 2.758 -8.328 -3.268 1.00 1.35 H new ATOM 679 N GLU A 41 -1.886 -8.927 -5.440 1.00 1.04 N ATOM 680 CA GLU A 41 -3.289 -9.283 -5.591 1.00 1.27 C ATOM 681 C GLU A 41 -3.523 -10.789 -5.471 1.00 1.20 C ATOM 682 O GLU A 41 -3.970 -11.436 -6.415 1.00 1.66 O ATOM 683 CB GLU A 41 -3.854 -8.757 -6.917 1.00 1.89 C ATOM 684 CG GLU A 41 -3.114 -9.236 -8.157 1.00 2.55 C ATOM 685 CD GLU A 41 -1.809 -8.508 -8.401 1.00 3.05 C ATOM 686 OE1 GLU A 41 -1.831 -7.270 -8.519 1.00 3.56 O ATOM 687 OE2 GLU A 41 -0.758 -9.171 -8.486 1.00 3.46 O ATOM 0 H GLU A 41 -1.383 -8.794 -6.317 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.822 -8.804 -4.770 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -4.899 -9.057 -6.996 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.836 -7.667 -6.898 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -2.913 -10.303 -8.061 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -3.759 -9.110 -9.027 1.00 2.55 H new ATOM 694 N GLN A 42 -3.260 -11.338 -4.297 1.00 1.08 N ATOM 695 CA GLN A 42 -3.482 -12.756 -4.070 1.00 1.24 C ATOM 696 C GLN A 42 -4.974 -13.006 -3.925 1.00 1.37 C ATOM 697 O GLN A 42 -5.656 -12.330 -3.156 1.00 1.84 O ATOM 698 CB GLN A 42 -2.718 -13.234 -2.833 1.00 1.58 C ATOM 699 CG GLN A 42 -1.221 -13.024 -2.959 1.00 2.34 C ATOM 700 CD GLN A 42 -0.459 -13.349 -1.690 1.00 2.87 C ATOM 701 OE1 GLN A 42 -0.526 -14.465 -1.174 1.00 3.26 O ATOM 702 NE2 GLN A 42 0.281 -12.376 -1.184 1.00 3.46 N ATOM 0 H GLN A 42 -2.895 -10.828 -3.492 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.107 -13.324 -4.921 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -3.084 -12.701 -1.955 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -2.921 -14.293 -2.671 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -0.842 -13.644 -3.771 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -1.029 -11.987 -3.234 1.00 2.34 H new ATOM 0 HE21 GLN A 42 0.309 -11.465 -1.643 1.00 3.46 H new ATOM 0 HE22 GLN A 42 0.824 -12.537 -0.335 1.00 3.46 H new ATOM 711 N ASP A 43 -5.491 -13.952 -4.682 1.00 1.32 N ATOM 712 CA ASP A 43 -6.904 -14.237 -4.636 1.00 1.60 C ATOM 713 C ASP A 43 -7.159 -15.474 -3.805 1.00 1.62 C ATOM 714 O ASP A 43 -7.158 -16.598 -4.307 1.00 1.97 O ATOM 715 CB ASP A 43 -7.467 -14.373 -6.043 1.00 2.08 C ATOM 716 CG ASP A 43 -8.957 -14.120 -6.088 1.00 2.50 C ATOM 717 OD1 ASP A 43 -9.561 -13.907 -5.017 1.00 2.87 O ATOM 718 OD2 ASP A 43 -9.526 -14.090 -7.195 1.00 2.96 O ATOM 0 H ASP A 43 -4.956 -14.530 -5.330 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.421 -13.405 -4.159 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.961 -13.670 -6.705 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -7.258 -15.374 -6.421 1.00 2.08 H new ATOM 723 N ALA A 44 -7.345 -15.227 -2.519 1.00 1.87 N ATOM 724 CA ALA A 44 -7.584 -16.257 -1.518 1.00 2.28 C ATOM 725 C ALA A 44 -6.329 -17.089 -1.260 1.00 2.75 C ATOM 726 O ALA A 44 -5.297 -16.883 -1.901 1.00 3.39 O ATOM 727 CB ALA A 44 -8.761 -17.141 -1.902 1.00 2.82 C ATOM 0 H ALA A 44 -7.334 -14.283 -2.132 1.00 1.87 H new ATOM 0 HA ALA A 44 -7.840 -15.752 -0.587 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -8.912 -17.899 -1.134 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -9.660 -16.531 -1.992 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -8.555 -17.627 -2.856 1.00 2.82 H new ATOM 733 N SER A 45 -6.413 -18.022 -0.317 1.00 3.20 N ATOM 734 CA SER A 45 -5.293 -18.864 0.020 1.00 4.25 C ATOM 735 C SER A 45 -5.181 -20.016 -0.971 1.00 4.77 C ATOM 736 O SER A 45 -5.842 -20.020 -2.009 1.00 5.30 O ATOM 737 CB SER A 45 -5.453 -19.381 1.453 1.00 4.93 C ATOM 738 OG SER A 45 -5.712 -18.306 2.349 1.00 5.22 O ATOM 0 H SER A 45 -7.257 -18.207 0.226 1.00 3.20 H new ATOM 0 HA SER A 45 -4.372 -18.284 -0.038 1.00 4.25 H new ATOM 0 HB2 SER A 45 -6.270 -20.102 1.496 1.00 4.93 H new ATOM 0 HB3 SER A 45 -4.548 -19.906 1.759 1.00 4.93 H new ATOM 0 HG SER A 45 -5.813 -18.656 3.259 1.00 5.22 H new ATOM 744 N THR A 46 -4.313 -20.955 -0.644 1.00 5.00 N ATOM 745 CA THR A 46 -4.025 -22.128 -1.487 1.00 5.82 C ATOM 746 C THR A 46 -3.647 -21.659 -2.899 1.00 5.62 C ATOM 747 O THR A 46 -2.893 -20.692 -3.039 1.00 5.88 O ATOM 748 CB THR A 46 -5.191 -23.144 -1.504 1.00 6.59 C ATOM 749 OG1 THR A 46 -6.431 -22.534 -1.828 1.00 6.31 O ATOM 750 CG2 THR A 46 -5.373 -23.872 -0.193 1.00 7.39 C ATOM 0 H THR A 46 -3.775 -20.936 0.223 1.00 5.00 H new ATOM 0 HA THR A 46 -3.179 -22.663 -1.056 1.00 5.82 H new ATOM 0 HB THR A 46 -4.906 -23.860 -2.275 1.00 6.59 H new ATOM 0 HG1 THR A 46 -7.139 -23.212 -1.829 1.00 6.31 H new ATOM 0 HG21 THR A 46 -6.207 -24.568 -0.276 1.00 7.39 H new ATOM 0 HG22 THR A 46 -4.463 -24.423 0.047 1.00 7.39 H new ATOM 0 HG23 THR A 46 -5.580 -23.151 0.598 1.00 7.39 H new ATOM 758 N SER A 47 -4.157 -22.299 -3.946 1.00 5.54 N ATOM 759 CA SER A 47 -3.831 -21.864 -5.294 1.00 5.68 C ATOM 760 C SER A 47 -4.992 -22.024 -6.299 1.00 5.14 C ATOM 761 O SER A 47 -4.770 -22.493 -7.416 1.00 5.00 O ATOM 762 CB SER A 47 -2.578 -22.592 -5.786 1.00 6.41 C ATOM 763 OG SER A 47 -1.482 -22.345 -4.915 1.00 6.89 O ATOM 0 H SER A 47 -4.783 -23.102 -3.889 1.00 5.54 H new ATOM 0 HA SER A 47 -3.639 -20.792 -5.239 1.00 5.68 H new ATOM 0 HB2 SER A 47 -2.771 -23.663 -5.841 1.00 6.41 H new ATOM 0 HB3 SER A 47 -2.330 -22.260 -6.794 1.00 6.41 H new ATOM 0 HG SER A 47 -0.690 -22.819 -5.244 1.00 6.89 H new ATOM 769 N PRO A 48 -6.244 -21.628 -5.950 1.00 5.23 N ATOM 770 CA PRO A 48 -7.373 -21.734 -6.880 1.00 5.13 C ATOM 771 C PRO A 48 -7.234 -20.724 -8.051 1.00 4.48 C ATOM 772 O PRO A 48 -6.897 -21.145 -9.159 1.00 4.75 O ATOM 773 CB PRO A 48 -8.616 -21.485 -6.007 1.00 5.87 C ATOM 774 CG PRO A 48 -8.116 -21.440 -4.594 1.00 6.34 C ATOM 775 CD PRO A 48 -6.665 -21.053 -4.670 1.00 5.91 C ATOM 0 HA PRO A 48 -7.430 -22.705 -7.371 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -9.105 -20.550 -6.279 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -9.351 -22.279 -6.137 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -8.681 -20.717 -4.005 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -8.235 -22.409 -4.109 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -6.533 -19.971 -4.649 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -6.093 -21.460 -3.836 1.00 5.91 H new ATOM 783 N PRO A 49 -7.441 -19.378 -7.865 1.00 4.08 N ATOM 784 CA PRO A 49 -7.266 -18.412 -8.956 1.00 3.90 C ATOM 785 C PRO A 49 -5.778 -18.148 -9.168 1.00 3.66 C ATOM 786 O PRO A 49 -5.281 -18.245 -10.286 1.00 4.13 O ATOM 787 CB PRO A 49 -7.996 -17.146 -8.468 1.00 4.20 C ATOM 788 CG PRO A 49 -8.616 -17.518 -7.161 1.00 4.54 C ATOM 789 CD PRO A 49 -7.818 -18.672 -6.633 1.00 4.40 C ATOM 0 HA PRO A 49 -7.662 -18.761 -9.910 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -7.302 -16.314 -8.350 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -8.753 -16.829 -9.185 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -8.593 -16.678 -6.466 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -9.662 -17.795 -7.291 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -6.945 -18.340 -6.071 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -8.406 -19.302 -5.966 1.00 4.40 H new ATOM 797 N SER A 50 -5.087 -17.856 -8.056 1.00 3.25 N ATOM 798 CA SER A 50 -3.634 -17.614 -8.010 1.00 3.42 C ATOM 799 C SER A 50 -3.185 -16.380 -8.796 1.00 2.88 C ATOM 800 O SER A 50 -3.549 -16.181 -9.956 1.00 3.28 O ATOM 801 CB SER A 50 -2.833 -18.867 -8.444 1.00 4.28 C ATOM 802 OG SER A 50 -3.004 -19.192 -9.817 1.00 4.85 O ATOM 0 H SER A 50 -5.532 -17.779 -7.141 1.00 3.25 H new ATOM 0 HA SER A 50 -3.411 -17.403 -6.964 1.00 3.42 H new ATOM 0 HB2 SER A 50 -1.774 -18.700 -8.246 1.00 4.28 H new ATOM 0 HB3 SER A 50 -3.141 -19.717 -7.835 1.00 4.28 H new ATOM 0 HG SER A 50 -3.672 -18.595 -10.214 1.00 4.85 H new ATOM 808 N TYR A 51 -2.367 -15.561 -8.144 1.00 2.46 N ATOM 809 CA TYR A 51 -1.830 -14.355 -8.761 1.00 2.13 C ATOM 810 C TYR A 51 -0.444 -14.059 -8.187 1.00 2.52 C ATOM 811 O TYR A 51 0.070 -14.835 -7.382 1.00 3.20 O ATOM 812 CB TYR A 51 -2.773 -13.181 -8.529 1.00 2.21 C ATOM 813 CG TYR A 51 -2.957 -12.280 -9.736 1.00 2.58 C ATOM 814 CD1 TYR A 51 -1.883 -11.618 -10.326 1.00 3.33 C ATOM 815 CD2 TYR A 51 -4.218 -12.085 -10.276 1.00 2.99 C ATOM 816 CE1 TYR A 51 -2.067 -10.789 -11.418 1.00 4.15 C ATOM 817 CE2 TYR A 51 -4.410 -11.260 -11.367 1.00 3.82 C ATOM 818 CZ TYR A 51 -3.332 -10.613 -11.933 1.00 4.30 C ATOM 819 OH TYR A 51 -3.520 -9.791 -13.021 1.00 5.34 O ATOM 0 H TYR A 51 -2.060 -15.712 -7.183 1.00 2.46 H new ATOM 0 HA TYR A 51 -1.738 -14.509 -9.836 1.00 2.13 H new ATOM 0 HB2 TYR A 51 -3.747 -13.566 -8.226 1.00 2.21 H new ATOM 0 HB3 TYR A 51 -2.394 -12.584 -7.699 1.00 2.21 H new ATOM 0 HD1 TYR A 51 -0.890 -11.754 -9.924 1.00 3.33 H new ATOM 0 HD2 TYR A 51 -5.067 -12.587 -9.836 1.00 2.99 H new ATOM 0 HE1 TYR A 51 -1.224 -10.283 -11.864 1.00 4.15 H new ATOM 0 HE2 TYR A 51 -5.400 -11.122 -11.775 1.00 3.82 H new ATOM 0 HH TYR A 51 -4.470 -9.777 -13.260 1.00 5.34 H new ATOM 829 N THR A 52 0.164 -12.953 -8.598 1.00 2.67 N ATOM 830 CA THR A 52 1.488 -12.592 -8.115 1.00 3.45 C ATOM 831 C THR A 52 1.539 -11.143 -7.603 1.00 3.24 C ATOM 832 O THR A 52 0.951 -10.832 -6.567 1.00 3.53 O ATOM 833 CB THR A 52 2.514 -12.835 -9.221 1.00 4.25 C ATOM 834 OG1 THR A 52 2.041 -12.346 -10.468 1.00 4.76 O ATOM 835 CG2 THR A 52 2.864 -14.296 -9.399 1.00 4.89 C ATOM 0 H THR A 52 -0.239 -12.293 -9.263 1.00 2.67 H new ATOM 0 HA THR A 52 1.731 -13.224 -7.261 1.00 3.45 H new ATOM 0 HB THR A 52 3.410 -12.299 -8.906 1.00 4.25 H new ATOM 0 HG1 THR A 52 2.714 -12.511 -11.161 1.00 4.76 H new ATOM 0 HG21 THR A 52 3.597 -14.400 -10.199 1.00 4.89 H new ATOM 0 HG22 THR A 52 3.282 -14.686 -8.471 1.00 4.89 H new ATOM 0 HG23 THR A 52 1.965 -14.857 -9.655 1.00 4.89 H new ATOM 843 N HIS A 53 2.258 -10.269 -8.309 1.00 3.23 N ATOM 844 CA HIS A 53 2.386 -8.868 -7.902 1.00 3.30 C ATOM 845 C HIS A 53 2.434 -7.958 -9.124 1.00 2.67 C ATOM 846 O HIS A 53 3.404 -7.228 -9.342 1.00 3.21 O ATOM 847 CB HIS A 53 3.633 -8.657 -7.020 1.00 4.24 C ATOM 848 CG HIS A 53 4.890 -9.267 -7.576 1.00 4.85 C ATOM 849 ND1 HIS A 53 5.184 -10.608 -7.470 1.00 5.28 N ATOM 850 CD2 HIS A 53 5.899 -8.722 -8.294 1.00 5.52 C ATOM 851 CE1 HIS A 53 6.310 -10.862 -8.108 1.00 6.09 C ATOM 852 NE2 HIS A 53 6.767 -9.736 -8.619 1.00 6.21 N ATOM 0 H HIS A 53 2.760 -10.506 -9.165 1.00 3.23 H new ATOM 0 HA HIS A 53 1.508 -8.608 -7.310 1.00 3.30 H new ATOM 0 HB2 HIS A 53 3.791 -7.587 -6.883 1.00 4.24 H new ATOM 0 HB3 HIS A 53 3.443 -9.080 -6.034 1.00 4.24 H new ATOM 0 HD2 HIS A 53 6.003 -7.681 -8.562 1.00 5.52 H new ATOM 0 HE1 HIS A 53 6.779 -11.831 -8.197 1.00 6.09 H new ATOM 0 HE2 HIS A 53 7.623 -9.635 -9.165 1.00 6.21 H new ATOM 861 N TYR A 54 1.375 -8.007 -9.914 1.00 2.10 N ATOM 862 CA TYR A 54 1.276 -7.196 -11.120 1.00 2.00 C ATOM 863 C TYR A 54 0.977 -5.747 -10.792 1.00 1.62 C ATOM 864 O TYR A 54 1.427 -4.840 -11.492 1.00 1.96 O ATOM 865 CB TYR A 54 0.178 -7.726 -12.044 1.00 2.78 C ATOM 866 CG TYR A 54 0.649 -8.778 -13.009 1.00 3.45 C ATOM 867 CD1 TYR A 54 1.260 -9.943 -12.568 1.00 3.89 C ATOM 868 CD2 TYR A 54 0.487 -8.594 -14.372 1.00 4.24 C ATOM 869 CE1 TYR A 54 1.700 -10.895 -13.466 1.00 4.87 C ATOM 870 CE2 TYR A 54 0.920 -9.538 -15.273 1.00 5.15 C ATOM 871 CZ TYR A 54 1.525 -10.685 -14.819 1.00 5.40 C ATOM 872 OH TYR A 54 1.960 -11.625 -15.725 1.00 6.50 O ATOM 0 H TYR A 54 0.566 -8.603 -9.742 1.00 2.10 H new ATOM 0 HA TYR A 54 2.242 -7.256 -11.622 1.00 2.00 H new ATOM 0 HB2 TYR A 54 -0.627 -8.139 -11.436 1.00 2.78 H new ATOM 0 HB3 TYR A 54 -0.243 -6.893 -12.607 1.00 2.78 H new ATOM 0 HD1 TYR A 54 1.393 -10.107 -11.509 1.00 3.89 H new ATOM 0 HD2 TYR A 54 0.012 -7.694 -14.733 1.00 4.24 H new ATOM 0 HE1 TYR A 54 2.177 -11.797 -13.113 1.00 4.87 H new ATOM 0 HE2 TYR A 54 0.785 -9.379 -16.333 1.00 5.15 H new ATOM 0 HH TYR A 54 1.758 -11.321 -16.634 1.00 6.50 H new ATOM 882 N SER A 55 0.190 -5.529 -9.756 1.00 1.34 N ATOM 883 CA SER A 55 -0.195 -4.184 -9.386 1.00 1.50 C ATOM 884 C SER A 55 0.829 -3.514 -8.477 1.00 1.20 C ATOM 885 O SER A 55 1.085 -3.956 -7.357 1.00 1.33 O ATOM 886 CB SER A 55 -1.561 -4.208 -8.714 1.00 2.13 C ATOM 887 OG SER A 55 -2.485 -4.967 -9.478 1.00 2.61 O ATOM 0 H SER A 55 -0.193 -6.263 -9.160 1.00 1.34 H new ATOM 0 HA SER A 55 -0.242 -3.593 -10.300 1.00 1.50 H new ATOM 0 HB2 SER A 55 -1.472 -4.634 -7.715 1.00 2.13 H new ATOM 0 HB3 SER A 55 -1.931 -3.190 -8.595 1.00 2.13 H new ATOM 0 HG SER A 55 -2.249 -5.917 -9.427 1.00 2.61 H new ATOM 893 N SER A 56 1.385 -2.423 -8.966 1.00 1.07 N ATOM 894 CA SER A 56 2.350 -1.646 -8.216 1.00 0.91 C ATOM 895 C SER A 56 1.827 -0.223 -8.099 1.00 0.80 C ATOM 896 O SER A 56 1.073 0.233 -8.955 1.00 0.93 O ATOM 897 CB SER A 56 3.708 -1.690 -8.915 1.00 1.09 C ATOM 898 OG SER A 56 3.553 -1.400 -10.285 1.00 1.73 O ATOM 0 H SER A 56 1.180 -2.051 -9.893 1.00 1.07 H new ATOM 0 HA SER A 56 2.485 -2.058 -7.216 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.386 -0.970 -8.457 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.158 -2.675 -8.792 1.00 1.09 H new ATOM 0 HG SER A 56 4.428 -1.428 -10.726 1.00 1.73 H new ATOM 904 N ILE A 57 2.186 0.466 -7.037 1.00 0.68 N ATOM 905 CA ILE A 57 1.706 1.816 -6.832 1.00 0.67 C ATOM 906 C ILE A 57 2.849 2.819 -6.902 1.00 0.63 C ATOM 907 O ILE A 57 3.765 2.795 -6.084 1.00 0.81 O ATOM 908 CB ILE A 57 0.974 1.929 -5.467 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.281 1.041 -5.441 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.611 3.371 -5.133 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.292 1.343 -6.535 1.00 0.81 C ATOM 0 H ILE A 57 2.805 0.116 -6.306 1.00 0.68 H new ATOM 0 HA ILE A 57 1.001 2.048 -7.630 1.00 0.67 H new ATOM 0 HB ILE A 57 1.667 1.577 -4.703 1.00 0.76 H new ATOM 0 HG12 ILE A 57 0.026 -0.002 -5.526 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -0.769 1.152 -4.473 1.00 0.92 H new ATOM 0 HG21 ILE A 57 0.101 3.404 -4.170 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.519 3.973 -5.084 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.046 3.769 -5.906 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.144 0.669 -6.439 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.633 2.374 -6.441 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -0.826 1.202 -7.510 1.00 0.81 H new ATOM 923 N ARG A 58 2.780 3.729 -7.855 1.00 0.66 N ATOM 924 CA ARG A 58 3.797 4.750 -7.968 1.00 0.73 C ATOM 925 C ARG A 58 3.112 6.100 -7.894 1.00 0.75 C ATOM 926 O ARG A 58 2.056 6.301 -8.501 1.00 0.91 O ATOM 927 CB ARG A 58 4.654 4.602 -9.244 1.00 0.96 C ATOM 928 CG ARG A 58 4.112 5.267 -10.501 1.00 1.24 C ATOM 929 CD ARG A 58 3.428 4.286 -11.430 1.00 1.86 C ATOM 930 NE ARG A 58 3.193 4.893 -12.737 1.00 2.47 N ATOM 931 CZ ARG A 58 4.173 5.208 -13.587 1.00 2.95 C ATOM 932 NH1 ARG A 58 5.313 4.532 -13.545 1.00 3.22 N ATOM 933 NH2 ARG A 58 3.884 5.903 -14.674 1.00 3.70 N ATOM 0 H ARG A 58 2.038 3.780 -8.553 1.00 0.66 H new ATOM 0 HA ARG A 58 4.504 4.646 -7.145 1.00 0.73 H new ATOM 0 HB2 ARG A 58 5.644 5.010 -9.041 1.00 0.96 H new ATOM 0 HB3 ARG A 58 4.783 3.539 -9.448 1.00 0.96 H new ATOM 0 HG2 ARG A 58 3.405 6.048 -10.219 1.00 1.24 H new ATOM 0 HG3 ARG A 58 4.930 5.754 -11.032 1.00 1.24 H new ATOM 0 HD2 ARG A 58 4.044 3.394 -11.543 1.00 1.86 H new ATOM 0 HD3 ARG A 58 2.481 3.966 -10.996 1.00 1.86 H new ATOM 0 HE ARG A 58 2.231 5.086 -13.015 1.00 2.47 H new ATOM 0 HH11 ARG A 58 5.435 3.779 -12.868 1.00 3.22 H new ATOM 0 HH12 ARG A 58 6.068 4.765 -14.190 1.00 3.22 H new ATOM 0 HH21 ARG A 58 2.922 6.191 -14.854 1.00 3.70 H new ATOM 0 HH22 ARG A 58 4.623 6.151 -15.332 1.00 3.70 H new ATOM 947 N LEU A 59 3.689 7.010 -7.117 1.00 0.85 N ATOM 948 CA LEU A 59 3.120 8.339 -6.917 1.00 1.02 C ATOM 949 C LEU A 59 3.097 9.153 -8.196 1.00 1.15 C ATOM 950 O LEU A 59 2.523 10.243 -8.225 1.00 1.59 O ATOM 951 CB LEU A 59 3.895 9.094 -5.831 1.00 1.28 C ATOM 952 CG LEU A 59 3.430 8.821 -4.396 1.00 1.35 C ATOM 953 CD1 LEU A 59 3.770 7.401 -3.979 1.00 1.35 C ATOM 954 CD2 LEU A 59 4.043 9.810 -3.418 1.00 1.79 C ATOM 0 H LEU A 59 4.560 6.849 -6.610 1.00 0.85 H new ATOM 0 HA LEU A 59 2.087 8.200 -6.598 1.00 1.02 H new ATOM 0 HB2 LEU A 59 4.950 8.833 -5.911 1.00 1.28 H new ATOM 0 HB3 LEU A 59 3.815 10.164 -6.026 1.00 1.28 H new ATOM 0 HG LEU A 59 2.347 8.945 -4.375 1.00 1.35 H new ATOM 0 HD11 LEU A 59 3.430 7.231 -2.957 1.00 1.35 H new ATOM 0 HD12 LEU A 59 3.275 6.697 -4.648 1.00 1.35 H new ATOM 0 HD13 LEU A 59 4.849 7.255 -4.032 1.00 1.35 H new ATOM 0 HD21 LEU A 59 3.693 9.589 -2.410 1.00 1.79 H new ATOM 0 HD22 LEU A 59 5.129 9.729 -3.451 1.00 1.79 H new ATOM 0 HD23 LEU A 59 3.747 10.823 -3.691 1.00 1.79 H new ATOM 966 N ASP A 60 3.720 8.620 -9.243 1.00 1.13 N ATOM 967 CA ASP A 60 3.781 9.294 -10.531 1.00 1.33 C ATOM 968 C ASP A 60 2.400 9.785 -10.948 1.00 1.33 C ATOM 969 O ASP A 60 2.163 10.990 -11.008 1.00 1.56 O ATOM 970 CB ASP A 60 4.353 8.377 -11.613 1.00 1.46 C ATOM 971 CG ASP A 60 4.501 9.087 -12.949 1.00 1.90 C ATOM 972 OD1 ASP A 60 4.561 10.333 -12.967 1.00 2.27 O ATOM 973 OD2 ASP A 60 4.584 8.398 -13.985 1.00 2.52 O ATOM 0 H ASP A 60 4.192 7.716 -9.221 1.00 1.13 H new ATOM 0 HA ASP A 60 4.445 10.151 -10.420 1.00 1.33 H new ATOM 0 HB2 ASP A 60 5.325 8.003 -11.293 1.00 1.46 H new ATOM 0 HB3 ASP A 60 3.702 7.511 -11.734 1.00 1.46 H new ATOM 978 N LYS A 61 1.481 8.875 -11.247 1.00 1.22 N ATOM 979 CA LYS A 61 0.154 9.304 -11.666 1.00 1.28 C ATOM 980 C LYS A 61 -0.953 8.748 -10.775 1.00 1.06 C ATOM 981 O LYS A 61 -1.888 8.108 -11.266 1.00 1.27 O ATOM 982 CB LYS A 61 -0.114 8.883 -13.106 1.00 1.60 C ATOM 983 CG LYS A 61 0.855 9.468 -14.118 1.00 1.93 C ATOM 984 CD LYS A 61 0.317 9.336 -15.531 1.00 2.55 C ATOM 985 CE LYS A 61 1.229 10.018 -16.539 1.00 3.16 C ATOM 986 NZ LYS A 61 0.659 10.022 -17.913 1.00 3.92 N ATOM 0 H LYS A 61 1.623 7.866 -11.209 1.00 1.22 H new ATOM 0 HA LYS A 61 0.142 10.391 -11.581 1.00 1.28 H new ATOM 0 HB2 LYS A 61 -0.073 7.796 -13.168 1.00 1.60 H new ATOM 0 HB3 LYS A 61 -1.127 9.180 -13.377 1.00 1.60 H new ATOM 0 HG2 LYS A 61 1.033 10.519 -13.890 1.00 1.93 H new ATOM 0 HG3 LYS A 61 1.816 8.959 -14.043 1.00 1.93 H new ATOM 0 HD2 LYS A 61 0.215 8.281 -15.786 1.00 2.55 H new ATOM 0 HD3 LYS A 61 -0.679 9.775 -15.585 1.00 2.55 H new ATOM 0 HE2 LYS A 61 1.412 11.045 -16.222 1.00 3.16 H new ATOM 0 HE3 LYS A 61 2.194 9.512 -16.551 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 1.319 10.498 -18.561 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 0.509 9.043 -18.229 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 -0.249 10.528 -17.910 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.865 9.003 -9.480 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.888 8.538 -8.554 1.00 0.69 C ATOM 1002 C TYR A 62 -2.100 9.545 -7.425 1.00 0.67 C ATOM 1003 O TYR A 62 -1.141 10.038 -6.819 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.537 7.127 -8.034 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.173 7.011 -6.566 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -2.142 7.003 -5.568 1.00 1.49 C ATOM 1007 CD2 TYR A 62 0.152 6.882 -6.188 1.00 1.46 C ATOM 1008 CE1 TYR A 62 -1.795 6.868 -4.240 1.00 1.84 C ATOM 1009 CE2 TYR A 62 0.506 6.753 -4.859 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.471 6.745 -3.891 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.127 6.593 -2.569 1.00 2.21 O ATOM 0 H TYR A 62 -0.103 9.525 -9.047 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.838 8.460 -9.082 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.387 6.473 -8.226 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.702 6.746 -8.622 1.00 0.70 H new ATOM 0 HD1 TYR A 62 -3.183 7.104 -5.837 1.00 1.49 H new ATOM 0 HD2 TYR A 62 0.922 6.882 -6.945 1.00 1.46 H new ATOM 0 HE1 TYR A 62 -2.560 6.859 -3.478 1.00 1.84 H new ATOM 0 HE2 TYR A 62 1.545 6.659 -4.581 1.00 1.79 H new ATOM 0 HH TYR A 62 -0.849 6.131 -2.094 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.359 9.846 -7.156 1.00 0.64 N ATOM 1022 CA ASN A 63 -3.726 10.781 -6.109 1.00 0.73 C ATOM 1023 C ASN A 63 -4.467 10.017 -5.028 1.00 0.64 C ATOM 1024 O ASN A 63 -5.548 9.482 -5.268 1.00 0.73 O ATOM 1025 CB ASN A 63 -4.601 11.907 -6.680 1.00 0.89 C ATOM 1026 CG ASN A 63 -3.877 12.752 -7.719 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -3.407 12.245 -8.739 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -3.793 14.052 -7.478 1.00 2.13 N ATOM 0 H ASN A 63 -4.154 9.449 -7.657 1.00 0.64 H new ATOM 0 HA ASN A 63 -2.833 11.241 -5.687 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.494 11.473 -7.130 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -4.935 12.550 -5.865 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -3.328 14.666 -8.147 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -4.193 14.439 -6.623 1.00 2.13 H new ATOM 1035 N ILE A 64 -3.877 9.940 -3.847 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.484 9.203 -2.747 1.00 0.70 C ATOM 1037 C ILE A 64 -5.376 10.114 -1.916 1.00 0.79 C ATOM 1038 O ILE A 64 -5.071 11.292 -1.720 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.420 8.528 -1.845 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.096 7.594 -0.829 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -2.570 9.574 -1.137 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.136 6.719 -0.058 1.00 1.18 C ATOM 0 H ILE A 64 -2.982 10.376 -3.624 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.094 8.414 -3.187 1.00 0.70 H new ATOM 0 HB ILE A 64 -2.761 7.931 -2.476 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -4.668 8.196 -0.123 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -4.808 6.958 -1.355 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -1.830 9.077 -0.509 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.062 10.192 -1.877 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.209 10.203 -0.517 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -3.694 6.091 0.637 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -2.581 6.088 -0.752 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -2.439 7.346 0.499 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.486 9.563 -1.450 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.451 10.299 -0.654 1.00 0.80 C ATOM 1056 C ARG A 65 -7.954 9.441 0.492 1.00 0.68 C ATOM 1057 O ARG A 65 -7.669 8.245 0.564 1.00 0.71 O ATOM 1058 CB ARG A 65 -8.652 10.710 -1.514 1.00 0.97 C ATOM 1059 CG ARG A 65 -8.289 11.516 -2.747 1.00 1.24 C ATOM 1060 CD ARG A 65 -7.572 12.810 -2.383 1.00 1.78 C ATOM 1061 NE ARG A 65 -7.180 13.573 -3.563 1.00 2.20 N ATOM 1062 CZ ARG A 65 -8.037 14.231 -4.333 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -9.218 14.571 -3.839 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -7.594 14.850 -5.413 1.00 3.57 N ATOM 0 H ARG A 65 -6.742 8.590 -1.615 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.954 11.187 -0.263 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.186 9.812 -1.825 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.340 11.294 -0.902 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -7.652 10.918 -3.398 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -9.193 11.747 -3.310 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -8.223 13.421 -1.757 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -6.686 12.579 -1.791 1.00 1.78 H new ATOM 0 HE ARG A 65 -6.191 13.602 -3.810 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -9.458 14.327 -2.878 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -9.887 15.077 -4.419 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -6.602 14.819 -5.648 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -8.244 15.359 -6.012 1.00 3.57 H new ATOM 1078 N GLN A 66 -8.713 10.052 1.377 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.271 9.346 2.509 1.00 0.83 C ATOM 1080 C GLN A 66 -10.656 9.884 2.842 1.00 0.99 C ATOM 1081 O GLN A 66 -10.855 11.088 2.999 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.338 9.442 3.721 1.00 0.97 C ATOM 1083 CG GLN A 66 -7.962 10.861 4.130 1.00 1.30 C ATOM 1084 CD GLN A 66 -7.157 10.905 5.417 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -6.660 11.957 5.820 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -7.033 9.768 6.085 1.00 2.45 N ATOM 0 H GLN A 66 -8.958 11.041 1.333 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.370 8.293 2.245 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -8.815 8.949 4.568 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.425 8.888 3.503 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -7.386 11.325 3.330 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -8.870 11.452 4.253 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -7.458 8.914 5.722 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -6.513 9.746 6.962 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.614 8.980 2.948 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.978 9.359 3.270 1.00 1.14 C ATOM 1097 C HIS A 67 -13.327 8.849 4.655 1.00 1.30 C ATOM 1098 O HIS A 67 -13.658 7.683 4.807 1.00 1.32 O ATOM 1099 CB HIS A 67 -13.973 8.790 2.254 1.00 1.28 C ATOM 1100 CG HIS A 67 -13.761 9.268 0.855 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -13.930 10.577 0.465 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.398 8.593 -0.254 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -13.690 10.683 -0.828 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -13.366 9.491 -1.289 1.00 1.61 N ATOM 0 H HIS A 67 -11.472 7.979 2.816 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.045 10.446 3.238 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -13.907 7.702 2.268 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -14.984 9.052 2.566 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.174 7.538 -0.316 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -13.749 11.591 -1.410 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -13.130 9.273 -2.257 1.00 1.61 H new ATOM 1113 N THR A 68 -13.236 9.704 5.660 1.00 1.74 N ATOM 1114 CA THR A 68 -13.542 9.304 7.026 1.00 2.04 C ATOM 1115 C THR A 68 -15.013 9.607 7.357 1.00 1.92 C ATOM 1116 O THR A 68 -15.877 9.494 6.484 1.00 2.16 O ATOM 1117 CB THR A 68 -12.578 10.000 8.002 1.00 2.74 C ATOM 1118 OG1 THR A 68 -11.261 9.992 7.477 1.00 3.12 O ATOM 1119 CG2 THR A 68 -12.503 9.334 9.364 1.00 3.23 C ATOM 0 H THR A 68 -12.953 10.679 5.557 1.00 1.74 H new ATOM 0 HA THR A 68 -13.403 8.228 7.129 1.00 2.04 H new ATOM 0 HB THR A 68 -12.973 11.009 8.123 1.00 2.74 H new ATOM 0 HG1 THR A 68 -10.824 9.144 7.702 1.00 3.12 H new ATOM 0 HG21 THR A 68 -11.804 9.880 9.998 1.00 3.23 H new ATOM 0 HG22 THR A 68 -13.490 9.338 9.826 1.00 3.23 H new ATOM 0 HG23 THR A 68 -12.160 8.306 9.248 1.00 3.23 H new ATOM 1127 N THR A 69 -15.289 9.975 8.614 1.00 2.34 N ATOM 1128 CA THR A 69 -16.641 10.273 9.082 1.00 2.58 C ATOM 1129 C THR A 69 -17.476 8.988 9.121 1.00 2.35 C ATOM 1130 O THR A 69 -18.305 8.737 8.241 1.00 2.76 O ATOM 1131 CB THR A 69 -17.299 11.356 8.217 1.00 3.11 C ATOM 1132 OG1 THR A 69 -16.382 12.416 7.985 1.00 3.61 O ATOM 1133 CG2 THR A 69 -18.532 11.965 8.850 1.00 3.69 C ATOM 0 H THR A 69 -14.575 10.074 9.336 1.00 2.34 H new ATOM 0 HA THR A 69 -16.584 10.670 10.096 1.00 2.58 H new ATOM 0 HB THR A 69 -17.592 10.857 7.293 1.00 3.11 H new ATOM 0 HG1 THR A 69 -16.809 13.102 7.431 1.00 3.61 H new ATOM 0 HG21 THR A 69 -18.946 12.723 8.185 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.276 11.187 9.021 1.00 3.69 H new ATOM 0 HG23 THR A 69 -18.263 12.425 9.801 1.00 3.69 H new ATOM 1141 N ASP A 70 -17.189 8.172 10.145 1.00 2.34 N ATOM 1142 CA ASP A 70 -17.823 6.867 10.384 1.00 2.43 C ATOM 1143 C ASP A 70 -17.121 5.792 9.562 1.00 2.17 C ATOM 1144 O ASP A 70 -16.369 4.979 10.100 1.00 2.45 O ATOM 1145 CB ASP A 70 -19.326 6.857 10.102 1.00 3.01 C ATOM 1146 CG ASP A 70 -19.926 5.482 10.324 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -19.876 4.983 11.467 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -20.441 4.886 9.359 1.00 3.96 O ATOM 0 H ASP A 70 -16.490 8.408 10.850 1.00 2.34 H new ATOM 0 HA ASP A 70 -17.714 6.656 11.448 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -19.823 7.580 10.749 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -19.506 7.172 9.074 1.00 3.01 H new ATOM 1153 N GLU A 71 -17.339 5.805 8.259 1.00 2.04 N ATOM 1154 CA GLU A 71 -16.692 4.845 7.381 1.00 2.00 C ATOM 1155 C GLU A 71 -15.423 5.429 6.808 1.00 1.55 C ATOM 1156 O GLU A 71 -15.451 6.139 5.810 1.00 1.90 O ATOM 1157 CB GLU A 71 -17.622 4.397 6.266 1.00 2.69 C ATOM 1158 CG GLU A 71 -18.566 3.306 6.717 1.00 3.30 C ATOM 1159 CD GLU A 71 -17.823 2.059 7.147 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -17.249 1.365 6.276 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -17.786 1.780 8.361 1.00 4.50 O ATOM 0 H GLU A 71 -17.956 6.466 7.787 1.00 2.04 H new ATOM 0 HA GLU A 71 -16.439 3.967 7.975 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -18.199 5.251 5.911 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -17.031 4.039 5.423 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -19.173 3.671 7.546 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -19.250 3.059 5.905 1.00 3.30 H new ATOM 1168 N ASP A 72 -14.322 5.121 7.468 1.00 1.31 N ATOM 1169 CA ASP A 72 -13.003 5.599 7.073 1.00 1.10 C ATOM 1170 C ASP A 72 -12.426 4.732 5.970 1.00 0.90 C ATOM 1171 O ASP A 72 -12.022 3.587 6.202 1.00 1.26 O ATOM 1172 CB ASP A 72 -12.065 5.597 8.274 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.720 6.211 7.962 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -10.678 7.408 7.613 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -9.702 5.507 8.101 1.00 2.64 O ATOM 0 H ASP A 72 -14.314 4.529 8.299 1.00 1.31 H new ATOM 0 HA ASP A 72 -13.106 6.617 6.698 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -12.529 6.145 9.094 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -11.922 4.572 8.617 1.00 1.58 H new ATOM 1180 N THR A 73 -12.430 5.269 4.769 1.00 0.74 N ATOM 1181 CA THR A 73 -11.953 4.548 3.604 1.00 0.65 C ATOM 1182 C THR A 73 -10.730 5.220 2.968 1.00 0.60 C ATOM 1183 O THR A 73 -10.769 6.406 2.631 1.00 0.79 O ATOM 1184 CB THR A 73 -13.073 4.483 2.569 1.00 0.79 C ATOM 1185 OG1 THR A 73 -14.295 4.069 3.160 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.763 3.549 1.429 1.00 0.94 C ATOM 0 H THR A 73 -12.762 6.213 4.571 1.00 0.74 H new ATOM 0 HA THR A 73 -11.657 3.550 3.928 1.00 0.65 H new ATOM 0 HB THR A 73 -13.164 5.496 2.176 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.995 4.038 2.475 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.596 3.545 0.726 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.859 3.884 0.920 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.609 2.541 1.816 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.671 4.443 2.759 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.466 4.944 2.105 1.00 0.52 C ATOM 1196 C ILE A 74 -8.559 4.592 0.620 1.00 0.50 C ATOM 1197 O ILE A 74 -8.554 3.414 0.257 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.162 4.328 2.688 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -7.160 4.332 4.231 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.943 5.082 2.158 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.857 5.678 4.863 1.00 0.99 C ATOM 0 H ILE A 74 -9.623 3.462 3.034 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.413 6.020 2.270 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.116 3.288 2.364 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -8.134 3.992 4.583 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -6.424 3.608 4.581 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.035 4.643 2.572 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -5.916 5.012 1.071 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.007 6.129 2.453 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.878 5.583 5.949 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -5.870 6.014 4.547 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.606 6.405 4.548 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.705 5.592 -0.233 1.00 0.42 N ATOM 1214 CA VAL A 75 -8.851 5.351 -1.658 1.00 0.45 C ATOM 1215 C VAL A 75 -7.809 6.123 -2.456 1.00 0.46 C ATOM 1216 O VAL A 75 -7.251 7.101 -1.970 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.256 5.785 -2.141 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.358 5.179 -1.288 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.393 7.300 -2.159 1.00 1.19 C ATOM 0 H VAL A 75 -8.726 6.576 0.036 1.00 0.42 H new ATOM 0 HA VAL A 75 -8.713 4.282 -1.820 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.365 5.411 -3.159 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.328 5.508 -1.660 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.300 4.092 -1.338 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.237 5.502 -0.254 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.391 7.571 -2.503 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.237 7.691 -1.154 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.649 7.725 -2.833 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.565 5.715 -3.694 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.617 6.424 -4.525 1.00 0.58 C ATOM 1231 C LEU A 76 -7.148 6.523 -5.942 1.00 0.59 C ATOM 1232 O LEU A 76 -7.593 5.532 -6.523 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.225 5.801 -4.493 1.00 0.74 C ATOM 1234 CG LEU A 76 -5.173 4.297 -4.318 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -3.950 3.761 -5.038 1.00 1.04 C ATOM 1236 CD2 LEU A 76 -5.161 3.906 -2.837 1.00 0.75 C ATOM 0 H LEU A 76 -8.006 4.908 -4.135 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.505 7.428 -4.117 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -4.713 6.057 -5.421 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.662 6.261 -3.681 1.00 0.74 H new ATOM 0 HG LEU A 76 -6.070 3.855 -4.751 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -3.903 2.679 -4.918 1.00 1.04 H new ATOM 0 HD12 LEU A 76 -4.015 4.007 -6.098 1.00 1.04 H new ATOM 0 HD13 LEU A 76 -3.052 4.212 -4.616 1.00 1.04 H new ATOM 0 HD21 LEU A 76 -5.123 2.820 -2.748 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -4.286 4.340 -2.353 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -6.065 4.279 -2.355 1.00 0.75 H new ATOM 1248 N GLN A 77 -7.117 7.735 -6.475 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.608 8.008 -7.815 1.00 0.74 C ATOM 1250 C GLN A 77 -6.442 8.109 -8.782 1.00 0.78 C ATOM 1251 O GLN A 77 -5.697 9.089 -8.780 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.417 9.312 -7.843 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.501 9.379 -6.780 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.387 10.604 -6.914 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -10.924 10.883 -7.985 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.566 11.327 -5.820 1.00 2.03 N ATOM 0 H GLN A 77 -6.751 8.555 -5.991 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.260 7.188 -8.116 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -7.738 10.154 -7.711 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.876 9.424 -8.825 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -10.118 8.483 -6.841 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.036 9.380 -5.794 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -10.102 11.061 -4.951 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.168 12.150 -5.845 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.258 7.082 -9.607 1.00 0.85 N ATOM 1266 CA PRO A 78 -5.171 7.036 -10.575 1.00 0.99 C ATOM 1267 C PRO A 78 -5.432 7.868 -11.827 1.00 1.02 C ATOM 1268 O PRO A 78 -6.508 7.799 -12.422 1.00 1.34 O ATOM 1269 CB PRO A 78 -5.110 5.559 -10.952 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.501 5.060 -10.765 1.00 1.60 C ATOM 1271 CD PRO A 78 -7.093 5.865 -9.645 1.00 1.20 C ATOM 0 HA PRO A 78 -4.253 7.445 -10.153 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -4.778 5.427 -11.982 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.407 5.018 -10.318 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -7.083 5.180 -11.679 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -6.503 3.997 -10.523 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.140 6.104 -9.834 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -7.055 5.324 -8.700 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.392 8.555 -12.281 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.452 9.292 -13.544 1.00 1.56 C ATOM 1281 C GLN A 79 -4.224 8.206 -14.569 1.00 1.66 C ATOM 1282 O GLN A 79 -4.820 8.144 -15.643 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.360 10.353 -13.609 1.00 2.04 C ATOM 1284 CG GLN A 79 -3.277 11.202 -12.351 1.00 2.20 C ATOM 1285 CD GLN A 79 -2.277 12.325 -12.473 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -1.080 12.089 -12.635 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -2.758 13.555 -12.408 1.00 3.46 N ATOM 0 H GLN A 79 -3.496 8.620 -11.797 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.387 9.833 -13.690 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -2.399 9.867 -13.776 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -3.542 11.001 -14.466 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -4.260 11.618 -12.133 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -3.005 10.568 -11.507 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -3.758 13.705 -12.273 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -2.129 14.354 -12.493 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.402 7.302 -14.060 1.00 1.50 N ATOM 1297 CA GLU A 80 -3.012 6.035 -14.634 1.00 1.81 C ATOM 1298 C GLU A 80 -2.680 5.957 -16.117 1.00 1.62 C ATOM 1299 O GLU A 80 -3.533 6.086 -16.991 1.00 1.78 O ATOM 1300 CB GLU A 80 -4.084 4.986 -14.303 1.00 2.37 C ATOM 1301 CG GLU A 80 -5.467 5.273 -14.871 1.00 3.06 C ATOM 1302 CD GLU A 80 -5.823 4.393 -16.056 1.00 3.86 C ATOM 1303 OE1 GLU A 80 -5.016 3.512 -16.426 1.00 4.35 O ATOM 1304 OE2 GLU A 80 -6.930 4.564 -16.613 1.00 4.42 O ATOM 0 H GLU A 80 -2.955 7.455 -13.156 1.00 1.50 H new ATOM 0 HA GLU A 80 -2.044 5.851 -14.167 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -3.749 4.018 -14.675 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -4.164 4.901 -13.219 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -6.211 5.133 -14.087 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -5.518 6.318 -15.175 1.00 3.06 H new ATOM 1311 N PRO A 81 -1.432 5.554 -16.389 1.00 1.93 N ATOM 1312 CA PRO A 81 -0.967 5.224 -17.716 1.00 2.28 C ATOM 1313 C PRO A 81 -1.151 3.698 -17.801 1.00 2.24 C ATOM 1314 O PRO A 81 -0.584 2.987 -18.633 1.00 2.80 O ATOM 1315 CB PRO A 81 0.508 5.606 -17.644 1.00 2.89 C ATOM 1316 CG PRO A 81 0.894 5.409 -16.200 1.00 3.10 C ATOM 1317 CD PRO A 81 -0.386 5.237 -15.405 1.00 2.53 C ATOM 0 HA PRO A 81 -1.457 5.701 -18.565 1.00 2.28 H new ATOM 0 HB2 PRO A 81 1.110 4.980 -18.302 1.00 2.89 H new ATOM 0 HB3 PRO A 81 0.664 6.639 -17.956 1.00 2.89 H new ATOM 0 HG2 PRO A 81 1.534 4.533 -16.090 1.00 3.10 H new ATOM 0 HG3 PRO A 81 1.460 6.266 -15.834 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -0.489 4.223 -15.020 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -0.422 5.909 -14.547 1.00 2.53 H new ATOM 1325 N GLY A 82 -1.936 3.268 -16.803 1.00 1.99 N ATOM 1326 CA GLY A 82 -2.282 1.902 -16.494 1.00 2.10 C ATOM 1327 C GLY A 82 -2.501 1.843 -14.975 1.00 1.96 C ATOM 1328 O GLY A 82 -1.540 2.050 -14.226 1.00 2.51 O ATOM 0 H GLY A 82 -2.369 3.924 -16.153 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -3.183 1.599 -17.028 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -1.487 1.222 -16.798 1.00 2.10 H new ATOM 1332 N LEU A 83 -3.745 1.577 -14.525 1.00 1.57 N ATOM 1333 CA LEU A 83 -4.099 1.512 -13.080 1.00 1.40 C ATOM 1334 C LEU A 83 -5.606 1.717 -12.875 1.00 1.22 C ATOM 1335 O LEU A 83 -6.122 2.796 -13.146 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.371 2.605 -12.256 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.744 2.147 -10.940 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.922 3.281 -10.350 1.00 1.26 C ATOM 1339 CD2 LEU A 83 -3.816 1.692 -9.963 1.00 1.86 C ATOM 0 H LEU A 83 -4.535 1.401 -15.146 1.00 1.57 H new ATOM 0 HA LEU A 83 -3.791 0.524 -12.738 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -2.587 3.038 -12.877 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -4.082 3.402 -12.038 1.00 1.31 H new ATOM 0 HG LEU A 83 -2.090 1.297 -11.133 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -1.474 2.955 -9.411 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -1.135 3.562 -11.049 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -2.567 4.140 -10.166 1.00 1.26 H new ATOM 0 HD21 LEU A 83 -3.348 1.370 -9.033 1.00 1.86 H new ATOM 0 HD22 LEU A 83 -4.497 2.518 -9.759 1.00 1.86 H new ATOM 0 HD23 LEU A 83 -4.373 0.861 -10.395 1.00 1.86 H new ATOM 1351 N PRO A 84 -6.331 0.708 -12.368 1.00 1.33 N ATOM 1352 CA PRO A 84 -7.767 0.813 -12.098 1.00 1.29 C ATOM 1353 C PRO A 84 -8.022 1.417 -10.716 1.00 1.09 C ATOM 1354 O PRO A 84 -7.073 1.675 -9.972 1.00 1.15 O ATOM 1355 CB PRO A 84 -8.242 -0.650 -12.126 1.00 1.58 C ATOM 1356 CG PRO A 84 -7.008 -1.497 -12.253 1.00 1.75 C ATOM 1357 CD PRO A 84 -5.825 -0.609 -11.985 1.00 1.64 C ATOM 0 HA PRO A 84 -8.282 1.454 -12.814 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -8.790 -0.897 -11.217 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -8.919 -0.822 -12.963 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -7.036 -2.324 -11.544 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -6.943 -1.933 -13.250 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -5.522 -0.640 -10.938 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -4.957 -0.899 -12.577 1.00 1.64 H new ATOM 1365 N SER A 85 -9.280 1.683 -10.364 1.00 0.99 N ATOM 1366 CA SER A 85 -9.569 2.293 -9.074 1.00 0.88 C ATOM 1367 C SER A 85 -9.436 1.274 -7.951 1.00 0.63 C ATOM 1368 O SER A 85 -10.198 0.310 -7.852 1.00 0.82 O ATOM 1369 CB SER A 85 -10.983 2.880 -9.066 1.00 1.23 C ATOM 1370 OG SER A 85 -11.192 3.734 -10.178 1.00 1.43 O ATOM 0 H SER A 85 -10.097 1.489 -10.943 1.00 0.99 H new ATOM 0 HA SER A 85 -8.846 3.092 -8.912 1.00 0.88 H new ATOM 0 HB2 SER A 85 -11.715 2.072 -9.083 1.00 1.23 H new ATOM 0 HB3 SER A 85 -11.143 3.436 -8.142 1.00 1.23 H new ATOM 0 HG SER A 85 -12.103 4.093 -10.148 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.427 1.510 -7.129 1.00 0.53 N ATOM 1377 CA PHE A 86 -8.098 0.662 -6.005 1.00 0.64 C ATOM 1378 C PHE A 86 -8.555 1.348 -4.727 1.00 0.57 C ATOM 1379 O PHE A 86 -8.542 2.577 -4.636 1.00 0.63 O ATOM 1380 CB PHE A 86 -6.582 0.390 -6.030 1.00 1.04 C ATOM 1381 CG PHE A 86 -5.943 0.038 -4.716 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.311 -1.090 -4.003 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -4.953 0.849 -4.203 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.698 -1.389 -2.801 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.340 0.557 -3.009 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.709 -0.559 -2.308 1.00 0.75 C ATOM 0 H PHE A 86 -7.805 2.312 -7.230 1.00 0.53 H new ATOM 0 HA PHE A 86 -8.608 -0.300 -6.057 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -6.393 -0.423 -6.730 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -6.083 1.274 -6.426 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -7.082 -1.741 -4.389 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -4.654 1.731 -4.750 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -5.991 -2.269 -2.248 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -3.568 1.207 -2.624 1.00 1.36 H new ATOM 0 HZ PHE A 86 -4.227 -0.791 -1.370 1.00 0.75 H new ATOM 1396 N ARG A 87 -8.953 0.557 -3.746 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.415 1.069 -2.471 1.00 0.57 C ATOM 1398 C ARG A 87 -9.053 0.079 -1.376 1.00 0.57 C ATOM 1399 O ARG A 87 -8.900 -1.111 -1.654 1.00 0.79 O ATOM 1400 CB ARG A 87 -10.939 1.273 -2.502 1.00 0.68 C ATOM 1401 CG ARG A 87 -11.388 2.468 -3.326 1.00 1.18 C ATOM 1402 CD ARG A 87 -11.998 2.065 -4.661 1.00 1.24 C ATOM 1403 NE ARG A 87 -13.154 1.186 -4.503 1.00 1.36 N ATOM 1404 CZ ARG A 87 -13.922 0.788 -5.515 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -13.828 1.398 -6.688 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -14.945 -0.021 -5.282 1.00 2.41 N ATOM 0 H ARG A 87 -8.964 -0.461 -3.813 1.00 0.60 H new ATOM 0 HA ARG A 87 -8.937 2.029 -2.274 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.407 0.373 -2.901 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.300 1.393 -1.480 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.118 3.043 -2.756 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -10.535 3.123 -3.504 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -12.298 2.960 -5.205 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -11.243 1.562 -5.265 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.386 0.859 -3.565 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -13.170 2.168 -6.811 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -14.414 1.098 -7.467 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.140 -0.335 -4.332 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -15.537 -0.329 -6.053 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.928 0.558 -0.144 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.610 -0.314 0.981 1.00 0.54 C ATOM 1422 C ILE A 88 -9.555 -0.063 2.146 1.00 0.59 C ATOM 1423 O ILE A 88 -9.896 1.084 2.449 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.143 -0.193 1.449 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.641 1.249 1.376 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.260 -1.114 0.626 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.205 1.401 1.826 1.00 0.74 C ATOM 0 H ILE A 88 -9.041 1.542 0.101 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.744 -1.334 0.620 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.096 -0.496 2.495 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.734 1.608 0.351 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -7.278 1.881 1.995 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.227 -1.023 0.962 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.593 -2.144 0.751 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.325 -0.836 -0.426 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.909 2.447 1.750 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -5.111 1.071 2.861 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.559 0.794 1.192 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.979 -1.140 2.799 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.891 -1.027 3.928 1.00 0.74 C ATOM 1441 C LYS A 89 -10.501 -1.988 5.037 1.00 0.85 C ATOM 1442 O LYS A 89 -10.163 -3.143 4.774 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.335 -1.330 3.505 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.980 -0.273 2.618 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.158 0.404 3.299 1.00 1.68 C ATOM 1446 CE LYS A 89 -13.706 1.230 4.490 1.00 1.89 C ATOM 1447 NZ LYS A 89 -14.816 2.022 5.079 1.00 2.46 N ATOM 0 H LYS A 89 -9.707 -2.095 2.567 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.826 -0.001 4.290 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.351 -2.284 2.978 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.943 -1.451 4.402 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.236 0.478 2.350 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -13.315 -0.735 1.689 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.675 1.045 2.584 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.874 -0.350 3.627 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -13.290 0.570 5.251 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -12.906 1.903 4.180 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -14.557 2.321 6.041 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -14.994 2.861 4.491 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -15.676 1.439 5.118 1.00 2.46 H new ATOM 1461 N PRO A 90 -10.580 -1.538 6.292 1.00 1.06 N ATOM 1462 CA PRO A 90 -10.286 -2.373 7.451 1.00 1.30 C ATOM 1463 C PRO A 90 -11.453 -3.314 7.735 1.00 1.47 C ATOM 1464 O PRO A 90 -12.221 -3.120 8.680 1.00 1.94 O ATOM 1465 CB PRO A 90 -10.113 -1.365 8.581 1.00 1.59 C ATOM 1466 CG PRO A 90 -10.930 -0.183 8.177 1.00 1.77 C ATOM 1467 CD PRO A 90 -11.006 -0.185 6.673 1.00 1.29 C ATOM 0 HA PRO A 90 -9.410 -3.007 7.315 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -10.456 -1.775 9.531 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -9.065 -1.094 8.711 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -11.928 -0.238 8.612 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -10.476 0.740 8.538 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -12.017 0.027 6.325 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -10.354 0.574 6.240 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.594 -4.309 6.874 1.00 1.40 N ATOM 1476 CA LYS A 91 -12.667 -5.284 6.955 1.00 1.72 C ATOM 1477 C LYS A 91 -12.368 -6.331 8.014 1.00 2.02 C ATOM 1478 O LYS A 91 -12.130 -7.498 7.707 1.00 2.48 O ATOM 1479 CB LYS A 91 -12.833 -5.960 5.604 1.00 1.95 C ATOM 1480 CG LYS A 91 -14.264 -6.008 5.094 1.00 2.50 C ATOM 1481 CD LYS A 91 -15.178 -6.787 6.019 1.00 2.94 C ATOM 1482 CE LYS A 91 -16.522 -7.044 5.359 1.00 3.58 C ATOM 1483 NZ LYS A 91 -17.453 -7.794 6.240 1.00 4.13 N ATOM 0 H LYS A 91 -10.959 -4.463 6.091 1.00 1.40 H new ATOM 0 HA LYS A 91 -13.587 -4.769 7.231 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -12.217 -5.437 4.872 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.451 -6.979 5.672 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -14.642 -4.992 4.984 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -14.279 -6.463 4.104 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -14.711 -7.735 6.285 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.323 -6.232 6.946 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -16.976 -6.092 5.083 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -16.369 -7.604 4.436 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -18.355 -7.944 5.744 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -17.035 -8.714 6.484 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -17.622 -7.250 7.110 1.00 4.13 H new ATOM 1497 N ASP A 92 -12.446 -5.884 9.245 1.00 2.34 N ATOM 1498 CA ASP A 92 -12.245 -6.707 10.441 1.00 2.92 C ATOM 1499 C ASP A 92 -10.893 -7.433 10.472 1.00 2.79 C ATOM 1500 O ASP A 92 -9.971 -6.998 11.168 1.00 3.27 O ATOM 1501 CB ASP A 92 -13.392 -7.718 10.588 1.00 3.81 C ATOM 1502 CG ASP A 92 -13.283 -8.564 11.845 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -12.623 -9.625 11.810 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -13.869 -8.171 12.874 1.00 5.11 O ATOM 0 H ASP A 92 -12.657 -4.910 9.461 1.00 2.34 H new ATOM 0 HA ASP A 92 -12.241 -6.019 11.286 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -14.341 -7.182 10.599 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -13.405 -8.373 9.717 1.00 3.81 H new ATOM 1509 N PHE A 93 -10.801 -8.549 9.738 1.00 2.71 N ATOM 1510 CA PHE A 93 -9.598 -9.386 9.677 1.00 2.95 C ATOM 1511 C PHE A 93 -9.350 -10.038 11.043 1.00 3.05 C ATOM 1512 O PHE A 93 -9.636 -11.222 11.236 1.00 3.30 O ATOM 1513 CB PHE A 93 -8.381 -8.584 9.221 1.00 3.27 C ATOM 1514 CG PHE A 93 -7.291 -9.431 8.636 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -6.600 -10.358 9.403 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -6.968 -9.301 7.302 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -5.605 -11.137 8.843 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -5.978 -10.074 6.736 1.00 5.30 C ATOM 1519 CZ PHE A 93 -5.294 -10.993 7.506 1.00 5.69 C ATOM 0 H PHE A 93 -11.568 -8.899 9.164 1.00 2.71 H new ATOM 0 HA PHE A 93 -9.760 -10.170 8.937 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -8.697 -7.850 8.480 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -7.983 -8.029 10.070 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -6.842 -10.472 10.449 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -7.498 -8.584 6.693 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -5.073 -11.855 9.449 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -5.737 -9.961 5.689 1.00 5.30 H new ATOM 0 HZ PHE A 93 -4.517 -11.598 7.063 1.00 5.69 H new ATOM 1529 N GLU A 94 -8.865 -9.241 11.991 1.00 3.44 N ATOM 1530 CA GLU A 94 -8.622 -9.692 13.355 1.00 3.96 C ATOM 1531 C GLU A 94 -8.195 -8.505 14.207 1.00 3.75 C ATOM 1532 O GLU A 94 -8.640 -8.344 15.346 1.00 4.15 O ATOM 1533 CB GLU A 94 -7.578 -10.823 13.424 1.00 4.82 C ATOM 1534 CG GLU A 94 -6.179 -10.441 12.965 1.00 5.73 C ATOM 1535 CD GLU A 94 -5.220 -11.610 13.023 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -4.924 -12.094 14.137 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -4.765 -12.061 11.955 1.00 7.20 O ATOM 0 H GLU A 94 -8.629 -8.261 11.833 1.00 3.44 H new ATOM 0 HA GLU A 94 -9.551 -10.109 13.744 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -7.521 -11.181 14.452 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -7.928 -11.657 12.815 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -6.224 -10.061 11.945 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -5.801 -9.632 13.590 1.00 5.73 H new ATOM 1544 N THR A 95 -7.325 -7.676 13.640 1.00 3.56 N ATOM 1545 CA THR A 95 -6.815 -6.498 14.324 1.00 3.57 C ATOM 1546 C THR A 95 -6.679 -5.329 13.347 1.00 3.11 C ATOM 1547 O THR A 95 -5.892 -4.408 13.571 1.00 3.46 O ATOM 1548 CB THR A 95 -5.458 -6.821 14.941 1.00 4.37 C ATOM 1549 OG1 THR A 95 -4.644 -7.494 13.999 1.00 4.92 O ATOM 1550 CG2 THR A 95 -5.541 -7.688 16.176 1.00 4.79 C ATOM 0 H THR A 95 -6.956 -7.803 12.697 1.00 3.56 H new ATOM 0 HA THR A 95 -7.515 -6.211 15.109 1.00 3.57 H new ATOM 0 HB THR A 95 -5.034 -5.860 15.231 1.00 4.37 H new ATOM 0 HG1 THR A 95 -3.774 -7.696 14.403 1.00 4.92 H new ATOM 0 HG21 THR A 95 -4.537 -7.875 16.558 1.00 4.79 H new ATOM 0 HG22 THR A 95 -6.130 -7.179 16.939 1.00 4.79 H new ATOM 0 HG23 THR A 95 -6.015 -8.636 15.924 1.00 4.79 H new ATOM 1558 N SER A 96 -7.475 -5.360 12.278 1.00 2.83 N ATOM 1559 CA SER A 96 -7.459 -4.303 11.271 1.00 2.92 C ATOM 1560 C SER A 96 -7.880 -2.977 11.900 1.00 2.63 C ATOM 1561 O SER A 96 -7.501 -1.910 11.431 1.00 2.95 O ATOM 1562 CB SER A 96 -8.385 -4.670 10.102 1.00 3.49 C ATOM 1563 OG SER A 96 -8.078 -3.929 8.931 1.00 4.05 O ATOM 0 H SER A 96 -8.141 -6.109 12.088 1.00 2.83 H new ATOM 0 HA SER A 96 -6.446 -4.195 10.883 1.00 2.92 H new ATOM 0 HB2 SER A 96 -8.298 -5.736 9.891 1.00 3.49 H new ATOM 0 HB3 SER A 96 -9.421 -4.485 10.387 1.00 3.49 H new ATOM 0 HG SER A 96 -7.990 -4.541 8.171 1.00 4.05 H new ATOM 1569 N GLU A 97 -8.662 -3.055 12.969 1.00 2.52 N ATOM 1570 CA GLU A 97 -9.126 -1.859 13.665 1.00 2.71 C ATOM 1571 C GLU A 97 -7.939 -1.056 14.193 1.00 2.41 C ATOM 1572 O GLU A 97 -7.943 0.175 14.142 1.00 2.64 O ATOM 1573 CB GLU A 97 -10.075 -2.240 14.792 1.00 3.26 C ATOM 1574 CG GLU A 97 -11.372 -2.834 14.271 1.00 3.93 C ATOM 1575 CD GLU A 97 -12.245 -3.425 15.354 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -11.901 -3.296 16.547 1.00 4.86 O ATOM 1577 OE2 GLU A 97 -13.277 -4.031 15.014 1.00 4.75 O ATOM 0 H GLU A 97 -8.989 -3.932 13.374 1.00 2.52 H new ATOM 0 HA GLU A 97 -9.671 -1.230 12.961 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -9.586 -2.959 15.450 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -10.296 -1.358 15.393 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -11.932 -2.059 13.747 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -11.139 -3.609 13.540 1.00 3.93 H new ATOM 1584 N TYR A 98 -6.904 -1.757 14.647 1.00 2.15 N ATOM 1585 CA TYR A 98 -5.694 -1.098 15.122 1.00 1.95 C ATOM 1586 C TYR A 98 -4.917 -0.577 13.916 1.00 1.56 C ATOM 1587 O TYR A 98 -4.257 0.461 13.978 1.00 1.45 O ATOM 1588 CB TYR A 98 -4.798 -2.066 15.912 1.00 2.16 C ATOM 1589 CG TYR A 98 -5.419 -2.656 17.163 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -5.776 -1.855 18.243 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -5.636 -4.025 17.267 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -6.328 -2.404 19.388 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -6.189 -4.577 18.405 1.00 4.46 C ATOM 1594 CZ TYR A 98 -6.534 -3.765 19.460 1.00 4.66 C ATOM 1595 OH TYR A 98 -7.083 -4.315 20.599 1.00 5.65 O ATOM 0 H TYR A 98 -6.880 -2.776 14.696 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.982 -0.282 15.785 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -4.505 -2.883 15.252 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -3.885 -1.541 16.193 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -5.620 -0.788 18.187 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -5.367 -4.669 16.442 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -6.596 -1.769 20.220 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -6.350 -5.643 18.467 1.00 4.46 H new ATOM 0 HH TYR A 98 -7.163 -5.285 20.488 1.00 5.65 H new ATOM 1605 N VAL A 99 -5.020 -1.324 12.818 1.00 1.54 N ATOM 1606 CA VAL A 99 -4.352 -0.996 11.560 1.00 1.34 C ATOM 1607 C VAL A 99 -4.937 0.278 10.953 1.00 1.17 C ATOM 1608 O VAL A 99 -4.208 1.155 10.497 1.00 1.04 O ATOM 1609 CB VAL A 99 -4.510 -2.171 10.558 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -3.928 -1.843 9.197 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -3.869 -3.433 11.107 1.00 1.91 C ATOM 0 H VAL A 99 -5.573 -2.180 12.776 1.00 1.54 H new ATOM 0 HA VAL A 99 -3.294 -0.830 11.765 1.00 1.34 H new ATOM 0 HB VAL A 99 -5.579 -2.338 10.429 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -4.062 -2.694 8.529 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -4.439 -0.974 8.783 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -2.865 -1.625 9.299 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -3.991 -4.245 10.390 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -2.807 -3.257 11.279 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -4.348 -3.705 12.047 1.00 1.91 H new ATOM 1621 N ARG A 100 -6.260 0.354 10.972 1.00 1.36 N ATOM 1622 CA ARG A 100 -7.018 1.488 10.451 1.00 1.42 C ATOM 1623 C ARG A 100 -6.430 2.822 10.916 1.00 1.31 C ATOM 1624 O ARG A 100 -6.111 3.692 10.103 1.00 1.31 O ATOM 1625 CB ARG A 100 -8.470 1.356 10.930 1.00 1.78 C ATOM 1626 CG ARG A 100 -9.429 2.401 10.382 1.00 2.37 C ATOM 1627 CD ARG A 100 -10.836 2.184 10.923 1.00 3.01 C ATOM 1628 NE ARG A 100 -11.729 3.304 10.647 1.00 3.48 N ATOM 1629 CZ ARG A 100 -13.008 3.335 11.016 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -13.580 2.256 11.528 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -13.733 4.420 10.796 1.00 4.93 N ATOM 0 H ARG A 100 -6.850 -0.384 11.357 1.00 1.36 H new ATOM 0 HA ARG A 100 -6.970 1.478 9.362 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -8.838 0.368 10.655 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -8.483 1.409 12.019 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -9.081 3.398 10.653 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -9.442 2.353 9.293 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -11.253 1.277 10.485 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -10.785 2.023 12.000 1.00 3.01 H new ATOM 0 HE ARG A 100 -11.353 4.108 10.144 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -13.041 1.398 11.641 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -14.560 2.283 11.810 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -13.312 5.232 10.344 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -14.713 4.445 11.078 1.00 4.93 H new ATOM 1645 N LYS A 101 -6.294 2.975 12.230 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.755 4.207 12.808 1.00 1.43 C ATOM 1647 C LYS A 101 -4.258 4.349 12.546 1.00 1.27 C ATOM 1648 O LYS A 101 -3.776 5.448 12.263 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.020 4.279 14.323 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.421 4.733 14.708 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.495 3.785 14.201 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.884 4.232 14.621 1.00 2.79 C ATOM 1653 NZ LYS A 101 -9.992 4.422 16.091 1.00 3.24 N ATOM 0 H LYS A 101 -6.548 2.264 12.916 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.272 5.032 12.318 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.841 3.295 14.755 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -5.297 4.960 14.772 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -7.490 4.810 15.793 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.601 5.730 14.306 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -8.445 3.727 13.114 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.305 2.782 14.583 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -10.131 5.166 14.117 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -10.615 3.492 14.297 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -10.995 4.459 16.364 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -9.529 3.628 16.579 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -9.527 5.312 16.361 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.525 3.244 12.653 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.080 3.257 12.440 1.00 1.11 C ATOM 1669 C ALA A 102 -1.713 3.689 11.027 1.00 0.99 C ATOM 1670 O ALA A 102 -0.812 4.500 10.835 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.481 1.893 12.750 1.00 1.22 C ATOM 0 H ALA A 102 -3.908 2.328 12.886 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.660 3.993 13.125 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.404 1.923 12.585 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.682 1.635 13.790 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.927 1.143 12.097 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.392 3.144 10.036 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.098 3.485 8.656 1.00 1.01 C ATOM 1679 C TRP A 103 -2.548 4.904 8.315 1.00 0.93 C ATOM 1680 O TRP A 103 -1.977 5.544 7.435 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.682 2.431 7.729 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.768 1.250 7.639 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.457 0.371 8.637 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.989 0.863 6.511 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.547 -0.549 8.185 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.238 -0.262 6.881 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -0.859 1.356 5.221 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.634 -0.896 5.999 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.004 0.729 4.351 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.747 -0.382 4.741 1.00 0.98 C ATOM 0 H TRP A 103 -3.146 2.468 10.158 1.00 0.97 H new ATOM 0 HA TRP A 103 -1.018 3.484 8.512 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.659 2.116 8.096 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -2.836 2.856 6.737 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.868 0.397 9.636 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.163 -1.321 8.730 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.426 2.219 4.904 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 1.201 -1.764 6.301 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 0.107 1.107 3.345 1.00 0.73 H new ATOM 0 HH2 TRP A 103 1.423 -0.844 4.037 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.519 5.422 9.065 1.00 0.95 N ATOM 1702 CA LEU A 104 -3.984 6.794 8.884 1.00 1.12 C ATOM 1703 C LEU A 104 -2.862 7.746 9.281 1.00 1.10 C ATOM 1704 O LEU A 104 -2.852 8.925 8.931 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.188 7.067 9.773 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.222 8.005 9.168 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -6.999 7.270 8.089 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -7.146 8.570 10.243 1.00 2.27 C ATOM 0 H LEU A 104 -3.999 4.910 9.805 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.267 6.940 7.842 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.671 6.119 10.009 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -4.839 7.491 10.715 1.00 1.35 H new ATOM 0 HG LEU A 104 -5.713 8.854 8.712 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -7.740 7.940 7.654 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -6.313 6.934 7.311 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -7.502 6.407 8.526 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -7.875 9.237 9.782 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -7.667 7.752 10.742 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -6.557 9.125 10.974 1.00 2.27 H new ATOM 1720 N ARG A 105 -1.896 7.173 9.971 1.00 1.01 N ATOM 1721 CA ARG A 105 -0.712 7.899 10.402 1.00 1.18 C ATOM 1722 C ARG A 105 0.258 8.026 9.237 1.00 1.08 C ATOM 1723 O ARG A 105 0.730 9.111 8.922 1.00 1.21 O ATOM 1724 CB ARG A 105 -0.024 7.221 11.595 1.00 1.38 C ATOM 1725 CG ARG A 105 -0.834 7.249 12.883 1.00 2.01 C ATOM 1726 CD ARG A 105 -0.508 8.469 13.733 1.00 2.29 C ATOM 1727 NE ARG A 105 -0.704 9.726 13.011 1.00 2.86 N ATOM 1728 CZ ARG A 105 -0.386 10.918 13.508 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -0.366 11.084 14.819 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -0.462 11.988 12.735 1.00 4.52 N ATOM 0 H ARG A 105 -1.907 6.192 10.250 1.00 1.01 H new ATOM 0 HA ARG A 105 -1.026 8.890 10.731 1.00 1.18 H new ATOM 0 HB2 ARG A 105 0.189 6.184 11.336 1.00 1.38 H new ATOM 0 HB3 ARG A 105 0.935 7.708 11.772 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -1.897 7.247 12.643 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -0.635 6.344 13.456 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -1.136 8.465 14.624 1.00 2.29 H new ATOM 0 HD3 ARG A 105 0.526 8.406 14.071 1.00 2.29 H new ATOM 0 HE ARG A 105 -1.107 9.686 12.075 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -0.593 10.304 15.435 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -0.124 11.993 15.214 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -0.763 11.896 11.765 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -0.220 12.906 13.109 1.00 4.52 H new ATOM 1744 N ASP A 106 0.521 6.895 8.592 1.00 0.95 N ATOM 1745 CA ASP A 106 1.420 6.810 7.432 1.00 0.99 C ATOM 1746 C ASP A 106 0.777 7.381 6.181 1.00 0.96 C ATOM 1747 O ASP A 106 1.194 7.107 5.055 1.00 1.17 O ATOM 1748 CB ASP A 106 1.794 5.359 7.188 1.00 1.09 C ATOM 1749 CG ASP A 106 2.804 4.834 8.193 1.00 1.46 C ATOM 1750 OD1 ASP A 106 3.331 5.633 8.999 1.00 1.76 O ATOM 1751 OD2 ASP A 106 3.084 3.626 8.177 1.00 2.18 O ATOM 0 H ASP A 106 0.115 5.998 8.858 1.00 0.95 H new ATOM 0 HA ASP A 106 2.310 7.399 7.653 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.894 4.745 7.229 1.00 1.09 H new ATOM 0 HB3 ASP A 106 2.203 5.258 6.183 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.213 8.199 6.403 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.937 8.866 5.346 1.00 1.04 C ATOM 1758 C ILE A 107 -1.028 10.342 5.703 1.00 1.23 C ATOM 1759 O ILE A 107 -0.689 11.215 4.904 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.320 8.215 5.145 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.125 6.846 4.483 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.218 9.090 4.297 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -3.340 5.958 4.520 1.00 1.45 C ATOM 0 H ILE A 107 -0.549 8.428 7.338 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.418 8.768 4.393 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.805 8.094 6.114 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -1.832 6.997 3.444 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.299 6.332 4.976 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.186 8.605 4.172 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.355 10.054 4.787 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -2.760 9.242 3.320 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -3.114 5.011 4.030 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -3.623 5.772 5.556 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -4.164 6.447 4.001 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.430 10.599 6.943 1.00 1.25 N ATOM 1776 CA ALA A 108 -1.506 11.962 7.462 1.00 1.52 C ATOM 1777 C ALA A 108 -0.098 12.560 7.523 1.00 1.59 C ATOM 1778 O ALA A 108 0.077 13.770 7.636 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.139 11.976 8.843 1.00 1.62 C ATOM 0 H ALA A 108 -1.709 9.880 7.610 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.128 12.560 6.797 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -2.186 13.001 9.211 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.147 11.564 8.786 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -1.539 11.373 9.524 1.00 1.62 H new ATOM 1785 N GLU A 109 0.891 11.673 7.428 1.00 1.39 N ATOM 1786 CA GLU A 109 2.304 12.019 7.446 1.00 1.50 C ATOM 1787 C GLU A 109 3.082 10.812 6.926 1.00 1.43 C ATOM 1788 O GLU A 109 3.681 10.040 7.681 1.00 1.70 O ATOM 1789 CB GLU A 109 2.757 12.418 8.851 1.00 1.69 C ATOM 1790 CG GLU A 109 2.343 11.436 9.925 1.00 1.73 C ATOM 1791 CD GLU A 109 2.688 11.926 11.307 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.960 12.796 11.829 1.00 2.40 O ATOM 1793 OE2 GLU A 109 3.704 11.468 11.869 1.00 2.56 O ATOM 0 H GLU A 109 0.724 10.671 7.334 1.00 1.39 H new ATOM 0 HA GLU A 109 2.491 12.883 6.808 1.00 1.50 H new ATOM 0 HB2 GLU A 109 3.843 12.516 8.859 1.00 1.69 H new ATOM 0 HB3 GLU A 109 2.347 13.399 9.091 1.00 1.69 H new ATOM 0 HG2 GLU A 109 1.269 11.261 9.861 1.00 1.73 H new ATOM 0 HG3 GLU A 109 2.833 10.479 9.748 1.00 1.73 H new ATOM 1800 N GLU A 110 3.000 10.641 5.616 1.00 1.49 N ATOM 1801 CA GLU A 110 3.623 9.524 4.924 1.00 1.63 C ATOM 1802 C GLU A 110 5.149 9.599 4.919 1.00 1.78 C ATOM 1803 O GLU A 110 5.776 10.102 5.850 1.00 2.20 O ATOM 1804 CB GLU A 110 3.089 9.443 3.487 1.00 2.09 C ATOM 1805 CG GLU A 110 3.262 10.725 2.676 1.00 2.83 C ATOM 1806 CD GLU A 110 2.878 10.559 1.219 1.00 3.38 C ATOM 1807 OE1 GLU A 110 2.251 9.536 0.876 1.00 3.86 O ATOM 1808 OE2 GLU A 110 3.190 11.461 0.412 1.00 3.86 O ATOM 0 H GLU A 110 2.496 11.278 4.999 1.00 1.49 H new ATOM 0 HA GLU A 110 3.360 8.620 5.472 1.00 1.63 H new ATOM 0 HB2 GLU A 110 3.596 8.629 2.969 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.030 9.189 3.520 1.00 2.09 H new ATOM 0 HG2 GLU A 110 2.654 11.514 3.119 1.00 2.83 H new ATOM 0 HG3 GLU A 110 4.300 11.050 2.738 1.00 2.83 H new ATOM 1815 N GLN A 111 5.726 9.070 3.853 1.00 1.93 N ATOM 1816 CA GLN A 111 7.157 9.030 3.662 1.00 2.44 C ATOM 1817 C GLN A 111 7.738 10.418 3.455 1.00 2.84 C ATOM 1818 O GLN A 111 8.058 10.816 2.342 1.00 3.22 O ATOM 1819 CB GLN A 111 7.513 8.122 2.481 1.00 2.97 C ATOM 1820 CG GLN A 111 6.705 8.397 1.224 1.00 3.66 C ATOM 1821 CD GLN A 111 7.147 7.539 0.054 1.00 4.54 C ATOM 1822 OE1 GLN A 111 8.322 7.522 -0.311 1.00 5.12 O ATOM 1823 NE2 GLN A 111 6.205 6.834 -0.548 1.00 5.02 N ATOM 0 H GLN A 111 5.200 8.651 3.086 1.00 1.93 H new ATOM 0 HA GLN A 111 7.598 8.621 4.571 1.00 2.44 H new ATOM 0 HB2 GLN A 111 8.572 8.239 2.252 1.00 2.97 H new ATOM 0 HB3 GLN A 111 7.364 7.084 2.777 1.00 2.97 H new ATOM 0 HG2 GLN A 111 5.650 8.215 1.427 1.00 3.66 H new ATOM 0 HG3 GLN A 111 6.801 9.449 0.956 1.00 3.66 H new ATOM 0 HE21 GLN A 111 5.243 6.877 -0.213 1.00 5.02 H new ATOM 0 HE22 GLN A 111 6.440 6.247 -1.348 1.00 5.02 H new ATOM 1832 N GLU A 112 7.896 11.139 4.541 1.00 3.29 N ATOM 1833 CA GLU A 112 8.487 12.473 4.487 1.00 4.12 C ATOM 1834 C GLU A 112 9.952 12.341 4.066 1.00 4.19 C ATOM 1835 O GLU A 112 10.568 13.281 3.558 1.00 4.69 O ATOM 1836 CB GLU A 112 8.385 13.175 5.845 1.00 5.03 C ATOM 1837 CG GLU A 112 7.029 13.815 6.138 1.00 5.36 C ATOM 1838 CD GLU A 112 6.713 14.991 5.229 1.00 6.31 C ATOM 1839 OE1 GLU A 112 6.606 14.801 4.001 1.00 6.81 O ATOM 1840 OE2 GLU A 112 6.572 16.119 5.743 1.00 6.83 O ATOM 0 H GLU A 112 7.627 10.832 5.476 1.00 3.29 H new ATOM 0 HA GLU A 112 7.943 13.079 3.762 1.00 4.12 H new ATOM 0 HB2 GLU A 112 8.606 12.451 6.629 1.00 5.03 H new ATOM 0 HB3 GLU A 112 9.153 13.946 5.898 1.00 5.03 H new ATOM 0 HG2 GLU A 112 6.248 13.062 6.031 1.00 5.36 H new ATOM 0 HG3 GLU A 112 7.009 14.150 7.175 1.00 5.36 H new ATOM 1847 N LYS A 113 10.484 11.133 4.265 1.00 3.97 N ATOM 1848 CA LYS A 113 11.858 10.801 3.905 1.00 4.36 C ATOM 1849 C LYS A 113 11.999 10.686 2.389 1.00 4.15 C ATOM 1850 O LYS A 113 13.099 10.504 1.872 1.00 4.65 O ATOM 1851 CB LYS A 113 12.286 9.486 4.574 1.00 4.79 C ATOM 1852 CG LYS A 113 12.569 9.611 6.065 1.00 5.55 C ATOM 1853 CD LYS A 113 11.349 10.058 6.852 1.00 5.63 C ATOM 1854 CE LYS A 113 11.716 10.413 8.281 1.00 6.48 C ATOM 1855 NZ LYS A 113 12.121 9.218 9.070 1.00 7.06 N ATOM 0 H LYS A 113 9.970 10.357 4.682 1.00 3.97 H new ATOM 0 HA LYS A 113 12.508 11.602 4.258 1.00 4.36 H new ATOM 0 HB2 LYS A 113 11.503 8.743 4.425 1.00 4.79 H new ATOM 0 HB3 LYS A 113 13.180 9.111 4.075 1.00 4.79 H new ATOM 0 HG2 LYS A 113 12.913 8.650 6.448 1.00 5.55 H new ATOM 0 HG3 LYS A 113 13.379 10.324 6.220 1.00 5.55 H new ATOM 0 HD2 LYS A 113 10.896 10.921 6.365 1.00 5.63 H new ATOM 0 HD3 LYS A 113 10.602 9.264 6.852 1.00 5.63 H new ATOM 0 HE2 LYS A 113 12.531 11.137 8.276 1.00 6.48 H new ATOM 0 HE3 LYS A 113 10.866 10.894 8.764 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 12.363 9.508 10.039 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 11.335 8.538 9.098 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 12.949 8.772 8.625 1.00 7.06 H new ATOM 1869 N TYR A 114 10.871 10.810 1.688 1.00 3.80 N ATOM 1870 CA TYR A 114 10.840 10.745 0.229 1.00 4.21 C ATOM 1871 C TYR A 114 11.690 11.874 -0.356 1.00 4.57 C ATOM 1872 O TYR A 114 12.252 11.756 -1.444 1.00 5.17 O ATOM 1873 CB TYR A 114 9.391 10.835 -0.264 1.00 4.58 C ATOM 1874 CG TYR A 114 9.242 10.867 -1.760 1.00 5.45 C ATOM 1875 CD1 TYR A 114 9.495 9.740 -2.528 1.00 5.90 C ATOM 1876 CD2 TYR A 114 8.862 12.033 -2.406 1.00 6.18 C ATOM 1877 CE1 TYR A 114 9.364 9.772 -3.899 1.00 6.94 C ATOM 1878 CE2 TYR A 114 8.728 12.073 -3.777 1.00 7.17 C ATOM 1879 CZ TYR A 114 8.985 10.940 -4.517 1.00 7.49 C ATOM 1880 OH TYR A 114 8.862 10.973 -5.882 1.00 8.62 O ATOM 0 H TYR A 114 9.957 10.958 2.115 1.00 3.80 H new ATOM 0 HA TYR A 114 11.256 9.794 -0.104 1.00 4.21 H new ATOM 0 HB2 TYR A 114 8.834 9.983 0.126 1.00 4.58 H new ATOM 0 HB3 TYR A 114 8.934 11.732 0.153 1.00 4.58 H new ATOM 0 HD1 TYR A 114 9.799 8.824 -2.044 1.00 5.90 H new ATOM 0 HD2 TYR A 114 8.668 12.923 -1.826 1.00 6.18 H new ATOM 0 HE1 TYR A 114 9.558 8.885 -4.484 1.00 6.94 H new ATOM 0 HE2 TYR A 114 8.424 12.986 -4.268 1.00 7.17 H new ATOM 0 HH TYR A 114 8.586 11.870 -6.164 1.00 8.62 H new ATOM 1890 N ALA A 115 11.796 12.947 0.413 1.00 4.51 N ATOM 1891 CA ALA A 115 12.594 14.104 0.052 1.00 5.16 C ATOM 1892 C ALA A 115 13.235 14.646 1.325 1.00 5.46 C ATOM 1893 O ALA A 115 13.033 15.806 1.697 1.00 5.73 O ATOM 1894 CB ALA A 115 11.735 15.164 -0.634 1.00 5.63 C ATOM 0 H ALA A 115 11.325 13.038 1.313 1.00 4.51 H new ATOM 0 HA ALA A 115 13.370 13.821 -0.659 1.00 5.16 H new ATOM 0 HB1 ALA A 115 12.355 16.022 -0.895 1.00 5.63 H new ATOM 0 HB2 ALA A 115 11.295 14.746 -1.539 1.00 5.63 H new ATOM 0 HB3 ALA A 115 10.941 15.482 0.042 1.00 5.63 H new ATOM 1900 N ALA A 116 13.979 13.770 2.007 1.00 5.86 N ATOM 1901 CA ALA A 116 14.638 14.096 3.273 1.00 6.58 C ATOM 1902 C ALA A 116 15.827 15.043 3.086 1.00 7.22 C ATOM 1903 O ALA A 116 16.943 14.766 3.538 1.00 7.70 O ATOM 1904 CB ALA A 116 15.077 12.810 3.965 1.00 7.03 C ATOM 0 H ALA A 116 14.141 12.813 1.695 1.00 5.86 H new ATOM 0 HA ALA A 116 13.917 14.622 3.899 1.00 6.58 H new ATOM 0 HB1 ALA A 116 15.568 13.053 4.907 1.00 7.03 H new ATOM 0 HB2 ALA A 116 14.205 12.186 4.160 1.00 7.03 H new ATOM 0 HB3 ALA A 116 15.773 12.270 3.323 1.00 7.03 H new ATOM 1910 N GLU A 117 15.571 16.175 2.449 1.00 7.53 N ATOM 1911 CA GLU A 117 16.591 17.181 2.232 1.00 8.41 C ATOM 1912 C GLU A 117 16.271 18.387 3.089 1.00 9.09 C ATOM 1913 O GLU A 117 15.775 19.404 2.606 1.00 9.58 O ATOM 1914 CB GLU A 117 16.685 17.599 0.765 1.00 8.83 C ATOM 1915 CG GLU A 117 16.990 16.457 -0.188 1.00 9.18 C ATOM 1916 CD GLU A 117 18.188 15.637 0.246 1.00 9.82 C ATOM 1917 OE1 GLU A 117 19.277 16.215 0.438 1.00 10.40 O ATOM 1918 OE2 GLU A 117 18.050 14.403 0.392 1.00 9.94 O ATOM 0 H GLU A 117 14.655 16.418 2.071 1.00 7.53 H new ATOM 0 HA GLU A 117 17.556 16.756 2.508 1.00 8.41 H new ATOM 0 HB2 GLU A 117 15.744 18.063 0.470 1.00 8.83 H new ATOM 0 HB3 GLU A 117 17.460 18.359 0.664 1.00 8.83 H new ATOM 0 HG2 GLU A 117 16.118 15.808 -0.261 1.00 9.18 H new ATOM 0 HG3 GLU A 117 17.172 16.860 -1.184 1.00 9.18 H new ATOM 1925 N ARG A 118 16.522 18.246 4.369 1.00 9.35 N ATOM 1926 CA ARG A 118 16.240 19.297 5.323 1.00 10.23 C ATOM 1927 C ARG A 118 17.272 20.413 5.210 1.00 10.76 C ATOM 1928 O ARG A 118 16.930 21.596 5.189 1.00 11.00 O ATOM 1929 CB ARG A 118 16.248 18.702 6.727 1.00 10.61 C ATOM 1930 CG ARG A 118 15.412 19.463 7.749 1.00 11.18 C ATOM 1931 CD ARG A 118 16.124 20.710 8.242 1.00 11.87 C ATOM 1932 NE ARG A 118 15.401 21.366 9.331 1.00 12.16 N ATOM 1933 CZ ARG A 118 15.894 22.382 10.041 1.00 12.66 C ATOM 1934 NH1 ARG A 118 17.147 22.780 9.851 1.00 12.91 N ATOM 1935 NH2 ARG A 118 15.183 22.910 11.026 1.00 13.09 N ATOM 0 H ARG A 118 16.926 17.404 4.779 1.00 9.35 H new ATOM 0 HA ARG A 118 15.260 19.726 5.114 1.00 10.23 H new ATOM 0 HB2 ARG A 118 15.885 17.676 6.673 1.00 10.61 H new ATOM 0 HB3 ARG A 118 17.278 18.658 7.082 1.00 10.61 H new ATOM 0 HG2 ARG A 118 14.457 19.742 7.303 1.00 11.18 H new ATOM 0 HG3 ARG A 118 15.191 18.812 8.595 1.00 11.18 H new ATOM 0 HD2 ARG A 118 17.125 20.444 8.581 1.00 11.87 H new ATOM 0 HD3 ARG A 118 16.243 21.409 7.414 1.00 11.87 H new ATOM 0 HE ARG A 118 14.467 21.027 9.561 1.00 12.16 H new ATOM 0 HH11 ARG A 118 17.733 22.309 9.162 1.00 12.91 H new ATOM 0 HH12 ARG A 118 17.523 23.557 10.394 1.00 12.91 H new ATOM 0 HH21 ARG A 118 14.258 22.540 11.242 1.00 13.09 H new ATOM 0 HH22 ARG A 118 15.561 23.687 11.568 1.00 13.09 H new ATOM 1949 N ASP A 119 18.534 20.025 5.134 1.00 11.16 N ATOM 1950 CA ASP A 119 19.628 20.978 5.025 1.00 11.89 C ATOM 1951 C ASP A 119 20.902 20.239 4.670 1.00 12.21 C ATOM 1952 O ASP A 119 21.276 19.321 5.433 1.00 0.00 O ATOM 1953 CB ASP A 119 19.825 21.727 6.344 1.00 12.51 C ATOM 1954 CG ASP A 119 20.731 22.936 6.207 1.00 13.33 C ATOM 1955 OD1 ASP A 119 21.915 22.774 5.849 1.00 13.70 O ATOM 1956 OD2 ASP A 119 20.257 24.059 6.468 1.00 13.75 O ATOM 1957 OXT ASP A 119 21.511 20.560 3.629 1.00 0.00 O ATOM 0 H ASP A 119 18.829 19.049 5.146 1.00 11.16 H new ATOM 0 HA ASP A 119 19.387 21.702 4.246 1.00 11.89 H new ATOM 0 HB2 ASP A 119 18.854 22.048 6.722 1.00 12.51 H new ATOM 0 HB3 ASP A 119 20.246 21.046 7.083 1.00 12.51 H new TER 1962 ASP A 119