USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 574 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 Single : A 14 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 79:sc= 1.31 USER MOD Single : A 23 SER OG : rot -145:sc= 1 USER MOD Single : A 24 THR OG1 : rot 79:sc= 0.174 USER MOD Single : A 30 ASN : amide:sc= 0.92 X(o=0.92,f=0.6) USER MOD Single : A 31 ASN : amide:sc= -0.0279 K(o=-0.028,f=-0.8) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.503 K(o=0.5,f=-0.22) USER MOD Single : A 52 ASN : amide:sc= 0.498 X(o=0.5,f=0) USER MOD Single : A 53 SER OG : rot 91:sc= 1.21 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 1.05 K(o=1.1,f=-0.018) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -156:sc= 0 (180deg=-0.55) USER MOD Single : A 69 THR OG1 : rot -87:sc= 1.24 USER MOD Single : A 82 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.35) USER MOD Single : A 83 MET CE :methyl -168:sc= -0.636 (180deg=-1.1) USER MOD Single : A 85 TYR OH : rot 180:sc= 0.834 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -3.156 -2.816 -3.205 0.49 2.25 N ATOM 2 CA ASN A 14 -2.665 -1.792 -4.148 0.49 1.89 C ATOM 3 C ASN A 14 -1.178 -2.011 -4.417 0.49 1.73 C ATOM 4 O ASN A 14 -0.423 -2.085 -3.451 0.49 1.99 O ATOM 5 CB ASN A 14 -2.936 -0.378 -3.613 0.49 2.57 C ATOM 6 CG ASN A 14 -2.442 0.691 -4.579 0.49 3.15 C ATOM 7 OD1 ASN A 14 -1.389 1.276 -4.392 0.49 4.54 O ATOM 8 ND2 ASN A 14 -3.164 0.969 -5.642 0.49 3.02 N ATOM 0 HA ASN A 14 -3.205 -1.889 -5.090 0.49 1.89 H new ATOM 0 HB2 ASN A 14 -4.005 -0.251 -3.445 0.49 2.57 H new ATOM 0 HB3 ASN A 14 -2.444 -0.253 -2.648 0.49 2.57 H new ATOM 0 HD21 ASN A 14 -2.843 1.672 -6.307 0.49 3.02 H new ATOM 0 HD22 ASN A 14 -4.046 0.481 -5.802 0.49 3.02 H new ATOM 15 N PRO A 15 -0.732 -2.104 -5.683 0.49 1.80 N ATOM 16 CA PRO A 15 0.685 -2.030 -6.039 0.49 2.00 C ATOM 17 C PRO A 15 1.151 -0.563 -6.038 0.49 1.82 C ATOM 18 O PRO A 15 0.538 0.280 -6.693 0.49 1.99 O ATOM 19 CB PRO A 15 0.759 -2.658 -7.434 0.49 2.41 C ATOM 20 CG PRO A 15 -0.585 -2.281 -8.065 0.49 2.49 C ATOM 21 CD PRO A 15 -1.549 -2.288 -6.878 0.49 2.10 C ATOM 0 HA PRO A 15 1.336 -2.549 -5.336 0.49 2.00 H new ATOM 0 HB2 PRO A 15 1.597 -2.263 -8.008 0.49 2.41 H new ATOM 0 HB3 PRO A 15 0.889 -3.739 -7.382 0.49 2.41 H new ATOM 0 HG2 PRO A 15 -0.544 -1.302 -8.543 0.49 2.49 H new ATOM 0 HG3 PRO A 15 -0.885 -2.997 -8.830 0.49 2.49 H new ATOM 0 HD2 PRO A 15 -2.286 -1.490 -6.971 0.49 2.10 H new ATOM 0 HD3 PRO A 15 -2.100 -3.227 -6.831 0.49 2.10 H new ATOM 29 N CYS A 16 2.239 -0.232 -5.334 1.00 1.59 N ATOM 30 CA CYS A 16 2.698 1.153 -5.171 1.00 1.44 C ATOM 31 C CYS A 16 3.845 1.506 -6.142 1.00 1.35 C ATOM 32 O CYS A 16 5.030 1.410 -5.806 1.00 1.18 O ATOM 33 CB CYS A 16 2.996 1.376 -3.682 1.00 1.34 C ATOM 34 SG CYS A 16 1.511 1.893 -2.774 1.00 1.26 S ATOM 0 H CYS A 16 2.827 -0.917 -4.860 1.00 1.59 H new ATOM 0 HA CYS A 16 1.921 1.862 -5.457 1.00 1.44 H new ATOM 0 HB2 CYS A 16 3.388 0.457 -3.247 1.00 1.34 H new ATOM 0 HB3 CYS A 16 3.771 2.135 -3.575 1.00 1.34 H new ATOM 39 N LEU A 17 3.495 1.896 -7.375 1.00 1.58 N ATOM 40 CA LEU A 17 4.446 2.090 -8.481 1.00 1.59 C ATOM 41 C LEU A 17 5.376 3.298 -8.295 1.00 1.50 C ATOM 42 O LEU A 17 6.530 3.226 -8.716 1.00 1.42 O ATOM 43 CB LEU A 17 3.696 2.212 -9.823 1.00 1.87 C ATOM 44 CG LEU A 17 3.421 0.865 -10.515 1.00 1.99 C ATOM 45 CD1 LEU A 17 2.402 0.013 -9.760 1.00 2.30 C ATOM 46 CD2 LEU A 17 2.901 1.116 -11.929 1.00 3.85 C ATOM 0 H LEU A 17 2.528 2.089 -7.637 1.00 1.58 H new ATOM 0 HA LEU A 17 5.082 1.205 -8.484 1.00 1.59 H new ATOM 0 HB2 LEU A 17 2.747 2.720 -9.652 1.00 1.87 H new ATOM 0 HB3 LEU A 17 4.278 2.842 -10.496 1.00 1.87 H new ATOM 0 HG LEU A 17 4.363 0.317 -10.535 1.00 1.99 H new ATOM 0 HD11 LEU A 17 2.246 -0.925 -10.293 1.00 2.30 H new ATOM 0 HD12 LEU A 17 2.775 -0.196 -8.757 1.00 2.30 H new ATOM 0 HD13 LEU A 17 1.457 0.552 -9.691 1.00 2.30 H new ATOM 0 HD21 LEU A 17 2.706 0.162 -12.420 1.00 3.85 H new ATOM 0 HD22 LEU A 17 1.978 1.694 -11.880 1.00 3.85 H new ATOM 0 HD23 LEU A 17 3.647 1.671 -12.498 1.00 3.85 H new ATOM 58 N SER A 18 4.918 4.369 -7.644 1.00 1.57 N ATOM 59 CA SER A 18 5.749 5.545 -7.328 1.00 1.58 C ATOM 60 C SER A 18 6.751 5.240 -6.224 1.00 1.24 C ATOM 61 O SER A 18 7.928 5.563 -6.338 1.00 1.23 O ATOM 62 CB SER A 18 4.901 6.700 -6.811 1.00 1.87 C ATOM 63 OG SER A 18 3.868 7.031 -7.711 1.00 2.19 O ATOM 0 H SER A 18 3.955 4.451 -7.317 1.00 1.57 H new ATOM 0 HA SER A 18 6.254 5.807 -8.258 1.00 1.58 H new ATOM 0 HB2 SER A 18 4.471 6.432 -5.846 1.00 1.87 H new ATOM 0 HB3 SER A 18 5.534 7.572 -6.647 1.00 1.87 H new ATOM 0 HG SER A 18 3.343 7.774 -7.347 1.00 2.19 H new ATOM 69 N GLU A 19 6.300 4.567 -5.162 1.00 1.10 N ATOM 70 CA GLU A 19 7.166 4.101 -4.074 1.00 0.89 C ATOM 71 C GLU A 19 8.220 3.120 -4.612 1.00 0.74 C ATOM 72 O GLU A 19 9.391 3.163 -4.226 1.00 0.70 O ATOM 73 CB GLU A 19 6.285 3.430 -3.005 1.00 1.06 C ATOM 74 CG GLU A 19 6.747 3.697 -1.572 1.00 1.30 C ATOM 75 CD GLU A 19 6.541 5.160 -1.157 1.00 1.32 C ATOM 76 OE1 GLU A 19 5.400 5.681 -1.214 1.00 2.49 O ATOM 77 OE2 GLU A 19 7.516 5.788 -0.684 1.00 1.97 O ATOM 0 H GLU A 19 5.317 4.328 -5.031 1.00 1.10 H new ATOM 0 HA GLU A 19 7.697 4.943 -3.631 1.00 0.89 H new ATOM 0 HB2 GLU A 19 5.260 3.782 -3.118 1.00 1.06 H new ATOM 0 HB3 GLU A 19 6.274 2.354 -3.179 1.00 1.06 H new ATOM 0 HG2 GLU A 19 6.200 3.047 -0.889 1.00 1.30 H new ATOM 0 HG3 GLU A 19 7.802 3.440 -1.479 1.00 1.30 H new ATOM 84 N SER A 20 7.802 2.294 -5.578 1.00 0.81 N ATOM 85 CA SER A 20 8.700 1.374 -6.293 1.00 0.85 C ATOM 86 C SER A 20 9.715 2.124 -7.146 1.00 0.96 C ATOM 87 O SER A 20 10.902 1.826 -7.086 1.00 1.01 O ATOM 88 CB SER A 20 7.938 0.430 -7.220 1.00 1.14 C ATOM 89 OG SER A 20 6.978 -0.321 -6.516 1.00 1.55 O ATOM 0 H SER A 20 6.831 2.243 -5.888 1.00 0.81 H new ATOM 0 HA SER A 20 9.206 0.803 -5.515 1.00 0.85 H new ATOM 0 HB2 SER A 20 7.447 1.006 -8.004 1.00 1.14 H new ATOM 0 HB3 SER A 20 8.640 -0.244 -7.712 1.00 1.14 H new ATOM 0 HG SER A 20 6.183 0.230 -6.359 1.00 1.55 H new ATOM 95 N ASP A 21 9.268 3.116 -7.919 1.00 1.05 N ATOM 96 CA ASP A 21 10.145 3.921 -8.764 1.00 1.17 C ATOM 97 C ASP A 21 11.148 4.715 -7.929 1.00 1.10 C ATOM 98 O ASP A 21 12.325 4.725 -8.263 1.00 1.18 O ATOM 99 CB ASP A 21 9.308 4.844 -9.658 1.00 1.35 C ATOM 100 CG ASP A 21 10.195 5.585 -10.654 1.00 1.78 C ATOM 101 OD1 ASP A 21 10.621 4.958 -11.656 1.00 2.21 O ATOM 102 OD2 ASP A 21 10.452 6.796 -10.454 1.00 2.72 O ATOM 0 H ASP A 21 8.285 3.382 -7.975 1.00 1.05 H new ATOM 0 HA ASP A 21 10.721 3.251 -9.402 1.00 1.17 H new ATOM 0 HB2 ASP A 21 8.561 4.259 -10.195 1.00 1.35 H new ATOM 0 HB3 ASP A 21 8.767 5.562 -9.042 1.00 1.35 H new ATOM 107 N ALA A 22 10.723 5.300 -6.809 1.00 1.01 N ATOM 108 CA ALA A 22 11.583 6.044 -5.896 1.00 1.01 C ATOM 109 C ALA A 22 12.626 5.147 -5.198 1.00 0.93 C ATOM 110 O ALA A 22 13.786 5.554 -5.053 1.00 1.06 O ATOM 111 CB ALA A 22 10.674 6.751 -4.889 1.00 0.97 C ATOM 0 H ALA A 22 9.749 5.268 -6.507 1.00 1.01 H new ATOM 0 HA ALA A 22 12.170 6.772 -6.456 1.00 1.01 H new ATOM 0 HB1 ALA A 22 11.283 7.320 -4.186 1.00 0.97 H new ATOM 0 HB2 ALA A 22 10.002 7.427 -5.418 1.00 0.97 H new ATOM 0 HB3 ALA A 22 10.089 6.010 -4.344 1.00 0.97 H new ATOM 117 N SER A 23 12.248 3.916 -4.829 1.00 0.78 N ATOM 118 CA SER A 23 13.201 2.855 -4.458 1.00 0.73 C ATOM 119 C SER A 23 14.190 2.555 -5.592 1.00 0.89 C ATOM 120 O SER A 23 15.401 2.619 -5.400 1.00 0.99 O ATOM 121 CB SER A 23 12.468 1.561 -4.087 1.00 0.63 C ATOM 122 OG SER A 23 13.356 0.717 -3.381 1.00 1.67 O ATOM 0 H SER A 23 11.272 3.625 -4.778 1.00 0.78 H new ATOM 0 HA SER A 23 13.755 3.224 -3.595 1.00 0.73 H new ATOM 0 HB2 SER A 23 11.594 1.785 -3.475 1.00 0.63 H new ATOM 0 HB3 SER A 23 12.108 1.061 -4.986 1.00 0.63 H new ATOM 0 HG SER A 23 13.169 -0.218 -3.608 1.00 1.67 H new ATOM 128 N THR A 24 13.709 2.319 -6.813 1.00 0.97 N ATOM 129 CA THR A 24 14.553 2.021 -7.981 1.00 1.17 C ATOM 130 C THR A 24 15.475 3.191 -8.357 1.00 1.25 C ATOM 131 O THR A 24 16.621 2.948 -8.745 1.00 1.33 O ATOM 132 CB THR A 24 13.664 1.573 -9.146 1.00 1.25 C ATOM 133 OG1 THR A 24 13.039 0.364 -8.765 1.00 1.38 O ATOM 134 CG2 THR A 24 14.423 1.256 -10.433 1.00 1.41 C ATOM 0 H THR A 24 12.712 2.328 -7.026 1.00 0.97 H new ATOM 0 HA THR A 24 15.227 1.204 -7.724 1.00 1.17 H new ATOM 0 HB THR A 24 12.983 2.400 -9.347 1.00 1.25 H new ATOM 0 HG1 THR A 24 12.284 0.559 -8.171 1.00 1.38 H new ATOM 0 HG21 THR A 24 13.718 0.947 -11.205 1.00 1.41 H new ATOM 0 HG22 THR A 24 14.960 2.144 -10.767 1.00 1.41 H new ATOM 0 HG23 THR A 24 15.133 0.450 -10.247 1.00 1.41 H new ATOM 142 N ARG A 25 15.048 4.449 -8.150 1.00 1.27 N ATOM 143 CA ARG A 25 15.890 5.653 -8.259 1.00 1.41 C ATOM 144 C ARG A 25 16.967 5.680 -7.174 1.00 1.34 C ATOM 145 O ARG A 25 18.116 5.970 -7.501 1.00 1.45 O ATOM 146 CB ARG A 25 15.079 6.963 -8.161 1.00 1.55 C ATOM 147 CG ARG A 25 13.978 7.290 -9.181 1.00 1.80 C ATOM 148 CD ARG A 25 14.147 6.693 -10.575 1.00 2.10 C ATOM 149 NE ARG A 25 13.052 7.147 -11.455 1.00 2.39 N ATOM 150 CZ ARG A 25 13.130 7.728 -12.637 1.00 3.44 C ATOM 151 NH1 ARG A 25 14.250 7.868 -13.277 1.00 4.61 N ATOM 152 NH2 ARG A 25 12.062 8.189 -13.216 1.00 4.30 N ATOM 0 H ARG A 25 14.083 4.662 -7.896 1.00 1.27 H new ATOM 0 HA ARG A 25 16.348 5.596 -9.247 1.00 1.41 H new ATOM 0 HB2 ARG A 25 14.615 6.978 -7.175 1.00 1.55 H new ATOM 0 HB3 ARG A 25 15.795 7.785 -8.189 1.00 1.55 H new ATOM 0 HG2 ARG A 25 13.025 6.949 -8.776 1.00 1.80 H new ATOM 0 HG3 ARG A 25 13.913 8.374 -9.279 1.00 1.80 H new ATOM 0 HD2 ARG A 25 15.108 6.992 -10.993 1.00 2.10 H new ATOM 0 HD3 ARG A 25 14.149 5.605 -10.516 1.00 2.10 H new ATOM 0 HE ARG A 25 12.108 6.990 -11.102 1.00 2.39 H new ATOM 0 HH11 ARG A 25 15.118 7.522 -12.868 1.00 4.61 H new ATOM 0 HH12 ARG A 25 14.263 8.324 -14.189 1.00 4.61 H new ATOM 0 HH21 ARG A 25 11.155 8.103 -12.757 1.00 4.30 H new ATOM 0 HH22 ARG A 25 12.130 8.637 -14.130 1.00 4.30 H new ATOM 166 N CYS A 26 16.629 5.348 -5.922 1.00 1.19 N ATOM 167 CA CYS A 26 17.609 5.181 -4.839 1.00 1.15 C ATOM 168 C CYS A 26 18.659 4.120 -5.205 1.00 1.15 C ATOM 169 O CYS A 26 19.858 4.342 -5.083 1.00 1.26 O ATOM 170 CB CYS A 26 16.890 4.828 -3.519 1.00 1.01 C ATOM 171 SG CYS A 26 17.971 4.146 -2.225 1.00 0.98 S ATOM 0 H CYS A 26 15.665 5.187 -5.629 1.00 1.19 H new ATOM 0 HA CYS A 26 18.135 6.125 -4.698 1.00 1.15 H new ATOM 0 HB2 CYS A 26 16.406 5.725 -3.133 1.00 1.01 H new ATOM 0 HB3 CYS A 26 16.101 4.107 -3.732 1.00 1.01 H new ATOM 176 N LEU A 27 18.224 2.973 -5.708 1.00 1.08 N ATOM 177 CA LEU A 27 19.072 1.839 -6.083 1.00 1.11 C ATOM 178 C LEU A 27 19.990 2.131 -7.279 1.00 1.32 C ATOM 179 O LEU A 27 21.143 1.701 -7.319 1.00 1.43 O ATOM 180 CB LEU A 27 18.103 0.683 -6.338 1.00 1.07 C ATOM 181 CG LEU A 27 17.790 -0.101 -5.057 1.00 0.91 C ATOM 182 CD1 LEU A 27 17.621 0.649 -3.729 1.00 0.78 C ATOM 183 CD2 LEU A 27 16.541 -0.953 -5.259 1.00 0.95 C ATOM 0 H LEU A 27 17.233 2.795 -5.874 1.00 1.08 H new ATOM 0 HA LEU A 27 19.779 1.599 -5.289 1.00 1.11 H new ATOM 0 HB2 LEU A 27 17.176 1.073 -6.759 1.00 1.07 H new ATOM 0 HB3 LEU A 27 18.531 0.009 -7.080 1.00 1.07 H new ATOM 0 HG LEU A 27 18.714 -0.664 -4.927 1.00 0.91 H new ATOM 0 HD11 LEU A 27 17.404 -0.064 -2.934 1.00 0.78 H new ATOM 0 HD12 LEU A 27 18.540 1.186 -3.495 1.00 0.78 H new ATOM 0 HD13 LEU A 27 16.798 1.359 -3.814 1.00 0.78 H new ATOM 0 HD21 LEU A 27 16.326 -1.506 -4.345 1.00 0.95 H new ATOM 0 HD22 LEU A 27 15.696 -0.308 -5.500 1.00 0.95 H new ATOM 0 HD23 LEU A 27 16.707 -1.654 -6.077 1.00 0.95 H new ATOM 195 N ASP A 28 19.502 2.929 -8.216 1.00 1.41 N ATOM 196 CA ASP A 28 20.313 3.525 -9.289 1.00 1.61 C ATOM 197 C ASP A 28 21.340 4.540 -8.734 1.00 1.68 C ATOM 198 O ASP A 28 22.496 4.561 -9.163 1.00 1.85 O ATOM 199 CB ASP A 28 19.387 4.160 -10.343 1.00 1.78 C ATOM 200 CG ASP A 28 20.114 4.417 -11.662 1.00 1.98 C ATOM 201 OD1 ASP A 28 20.961 5.338 -11.719 1.00 2.92 O ATOM 202 OD2 ASP A 28 19.867 3.681 -12.648 1.00 2.30 O ATOM 0 H ASP A 28 18.517 3.190 -8.261 1.00 1.41 H new ATOM 0 HA ASP A 28 20.894 2.737 -9.769 1.00 1.61 H new ATOM 0 HB2 ASP A 28 18.535 3.503 -10.520 1.00 1.78 H new ATOM 0 HB3 ASP A 28 18.990 5.100 -9.958 1.00 1.78 H new ATOM 207 N GLU A 29 20.956 5.337 -7.731 1.00 1.58 N ATOM 208 CA GLU A 29 21.815 6.311 -7.036 1.00 1.67 C ATOM 209 C GLU A 29 22.982 5.654 -6.286 1.00 1.65 C ATOM 210 O GLU A 29 24.117 6.111 -6.428 1.00 1.80 O ATOM 211 CB GLU A 29 20.975 7.153 -6.047 1.00 1.62 C ATOM 212 CG GLU A 29 20.754 8.604 -6.509 1.00 1.81 C ATOM 213 CD GLU A 29 21.601 9.629 -5.743 1.00 2.27 C ATOM 214 OE1 GLU A 29 21.149 10.129 -4.684 1.00 3.12 O ATOM 215 OE2 GLU A 29 22.709 9.987 -6.212 1.00 2.76 O ATOM 0 H GLU A 29 20.004 5.323 -7.365 1.00 1.58 H new ATOM 0 HA GLU A 29 22.245 6.951 -7.807 1.00 1.67 H new ATOM 0 HB2 GLU A 29 20.006 6.674 -5.906 1.00 1.62 H new ATOM 0 HB3 GLU A 29 21.471 7.161 -5.076 1.00 1.62 H new ATOM 0 HG2 GLU A 29 20.984 8.677 -7.572 1.00 1.81 H new ATOM 0 HG3 GLU A 29 19.700 8.857 -6.393 1.00 1.81 H new ATOM 222 N ASN A 30 22.711 4.606 -5.500 1.00 1.49 N ATOM 223 CA ASN A 30 23.638 3.980 -4.563 1.00 1.48 C ATOM 224 C ASN A 30 23.775 2.453 -4.789 1.00 1.40 C ATOM 225 O ASN A 30 23.349 1.657 -3.950 1.00 1.49 O ATOM 226 CB ASN A 30 23.244 4.394 -3.124 1.00 1.45 C ATOM 227 CG ASN A 30 21.769 4.271 -2.789 1.00 1.30 C ATOM 228 OD1 ASN A 30 21.104 5.238 -2.434 1.00 1.34 O ATOM 229 ND2 ASN A 30 21.213 3.091 -2.899 1.00 1.18 N ATOM 0 H ASN A 30 21.797 4.154 -5.503 1.00 1.49 H new ATOM 0 HA ASN A 30 24.650 4.345 -4.741 1.00 1.48 H new ATOM 0 HB2 ASN A 30 23.810 3.783 -2.421 1.00 1.45 H new ATOM 0 HB3 ASN A 30 23.550 5.428 -2.966 1.00 1.45 H new ATOM 0 HD21 ASN A 30 20.222 2.973 -2.689 1.00 1.18 H new ATOM 0 HD22 ASN A 30 21.771 2.290 -3.195 1.00 1.18 H new ATOM 236 N ASN A 31 24.314 2.048 -5.948 1.00 1.36 N ATOM 237 CA ASN A 31 24.690 0.672 -6.336 1.00 1.36 C ATOM 238 C ASN A 31 23.803 -0.455 -5.762 1.00 1.29 C ATOM 239 O ASN A 31 24.277 -1.378 -5.093 1.00 1.34 O ATOM 240 CB ASN A 31 26.195 0.437 -6.103 1.00 1.46 C ATOM 241 CG ASN A 31 26.709 -0.804 -6.828 1.00 2.38 C ATOM 242 OD1 ASN A 31 26.222 -1.187 -7.886 1.00 3.02 O ATOM 243 ND2 ASN A 31 27.708 -1.468 -6.304 1.00 3.22 N ATOM 0 H ASN A 31 24.514 2.715 -6.693 1.00 1.36 H new ATOM 0 HA ASN A 31 24.488 0.606 -7.405 1.00 1.36 H new ATOM 0 HB2 ASN A 31 26.753 1.310 -6.442 1.00 1.46 H new ATOM 0 HB3 ASN A 31 26.383 0.334 -5.034 1.00 1.46 H new ATOM 0 HD21 ASN A 31 28.074 -2.295 -6.776 1.00 3.22 H new ATOM 0 HD22 ASN A 31 28.121 -1.158 -5.424 1.00 3.22 H new ATOM 250 N TYR A 32 22.500 -0.374 -6.017 1.00 1.25 N ATOM 251 CA TYR A 32 21.488 -1.376 -5.680 1.00 1.16 C ATOM 252 C TYR A 32 21.350 -1.716 -4.178 1.00 1.04 C ATOM 253 O TYR A 32 21.027 -2.849 -3.824 1.00 1.22 O ATOM 254 CB TYR A 32 21.618 -2.601 -6.611 1.00 1.41 C ATOM 255 CG TYR A 32 20.331 -3.029 -7.290 1.00 1.61 C ATOM 256 CD1 TYR A 32 19.145 -3.176 -6.548 1.00 2.39 C ATOM 257 CD2 TYR A 32 20.322 -3.273 -8.677 1.00 2.55 C ATOM 258 CE1 TYR A 32 17.946 -3.513 -7.198 1.00 2.63 C ATOM 259 CE2 TYR A 32 19.128 -3.645 -9.324 1.00 2.99 C ATOM 260 CZ TYR A 32 17.933 -3.755 -8.587 1.00 2.51 C ATOM 261 OH TYR A 32 16.780 -4.100 -9.216 1.00 3.05 O ATOM 0 H TYR A 32 22.098 0.436 -6.490 1.00 1.25 H new ATOM 0 HA TYR A 32 20.521 -0.913 -5.875 1.00 1.16 H new ATOM 0 HB2 TYR A 32 22.359 -2.378 -7.378 1.00 1.41 H new ATOM 0 HB3 TYR A 32 22.002 -3.440 -6.031 1.00 1.41 H new ATOM 0 HD1 TYR A 32 19.156 -3.030 -5.478 1.00 2.39 H new ATOM 0 HD2 TYR A 32 21.234 -3.174 -9.247 1.00 2.55 H new ATOM 0 HE1 TYR A 32 17.030 -3.587 -6.631 1.00 2.63 H new ATOM 0 HE2 TYR A 32 19.129 -3.846 -10.385 1.00 2.99 H new ATOM 0 HH TYR A 32 16.954 -4.228 -10.172 1.00 3.05 H new ATOM 271 N ASP A 33 21.566 -0.757 -3.268 1.00 0.93 N ATOM 272 CA ASP A 33 21.490 -0.955 -1.809 1.00 0.94 C ATOM 273 C ASP A 33 20.034 -1.033 -1.284 1.00 0.79 C ATOM 274 O ASP A 33 19.513 -0.183 -0.553 1.00 0.76 O ATOM 275 CB ASP A 33 22.409 0.019 -1.048 1.00 1.15 C ATOM 276 CG ASP A 33 22.935 -0.590 0.264 1.00 1.41 C ATOM 277 OD1 ASP A 33 22.197 -1.345 0.942 1.00 2.20 O ATOM 278 OD2 ASP A 33 24.133 -0.384 0.583 1.00 2.01 O ATOM 0 H ASP A 33 21.804 0.200 -3.528 1.00 0.93 H new ATOM 0 HA ASP A 33 21.892 -1.945 -1.592 1.00 0.94 H new ATOM 0 HB2 ASP A 33 23.251 0.294 -1.683 1.00 1.15 H new ATOM 0 HB3 ASP A 33 21.863 0.936 -0.828 1.00 1.15 H new ATOM 283 N ARG A 34 19.377 -2.116 -1.706 1.00 0.81 N ATOM 284 CA ARG A 34 18.031 -2.581 -1.318 1.00 0.80 C ATOM 285 C ARG A 34 17.805 -2.659 0.195 1.00 0.89 C ATOM 286 O ARG A 34 16.659 -2.608 0.632 1.00 0.94 O ATOM 287 CB ARG A 34 17.753 -3.941 -2.002 1.00 0.99 C ATOM 288 CG ARG A 34 18.474 -5.138 -1.346 1.00 1.65 C ATOM 289 CD ARG A 34 18.571 -6.373 -2.253 1.00 2.18 C ATOM 290 NE ARG A 34 17.260 -6.848 -2.740 1.00 2.76 N ATOM 291 CZ ARG A 34 16.558 -7.887 -2.326 1.00 3.53 C ATOM 292 NH1 ARG A 34 16.902 -8.627 -1.315 1.00 3.87 N ATOM 293 NH2 ARG A 34 15.468 -8.252 -2.932 1.00 4.87 N ATOM 0 H ARG A 34 19.803 -2.747 -2.385 1.00 0.81 H new ATOM 0 HA ARG A 34 17.318 -1.832 -1.663 1.00 0.80 H new ATOM 0 HB2 ARG A 34 16.679 -4.128 -1.991 1.00 0.99 H new ATOM 0 HB3 ARG A 34 18.055 -3.878 -3.047 1.00 0.99 H new ATOM 0 HG2 ARG A 34 19.479 -4.831 -1.056 1.00 1.65 H new ATOM 0 HG3 ARG A 34 17.948 -5.411 -0.431 1.00 1.65 H new ATOM 0 HD2 ARG A 34 19.204 -6.138 -3.108 1.00 2.18 H new ATOM 0 HD3 ARG A 34 19.061 -7.179 -1.706 1.00 2.18 H new ATOM 0 HE ARG A 34 16.843 -6.303 -3.494 1.00 2.76 H new ATOM 0 HH11 ARG A 34 17.754 -8.417 -0.796 1.00 3.87 H new ATOM 0 HH12 ARG A 34 16.320 -9.418 -1.040 1.00 3.87 H new ATOM 0 HH21 ARG A 34 15.138 -7.732 -3.746 1.00 4.87 H new ATOM 0 HH22 ARG A 34 14.942 -9.058 -2.594 1.00 4.87 H new ATOM 307 N GLU A 35 18.877 -2.749 0.980 1.00 1.03 N ATOM 308 CA GLU A 35 18.857 -2.693 2.446 1.00 1.18 C ATOM 309 C GLU A 35 18.774 -1.239 2.938 1.00 1.14 C ATOM 310 O GLU A 35 17.847 -0.896 3.675 1.00 1.29 O ATOM 311 CB GLU A 35 20.091 -3.415 3.014 1.00 1.38 C ATOM 312 CG GLU A 35 20.150 -4.912 2.656 1.00 1.47 C ATOM 313 CD GLU A 35 21.545 -5.504 2.875 1.00 1.88 C ATOM 314 OE1 GLU A 35 22.524 -5.008 2.263 1.00 2.78 O ATOM 315 OE2 GLU A 35 21.692 -6.469 3.660 1.00 2.43 O ATOM 0 H GLU A 35 19.817 -2.867 0.603 1.00 1.03 H new ATOM 0 HA GLU A 35 17.966 -3.206 2.808 1.00 1.18 H new ATOM 0 HB2 GLU A 35 20.991 -2.925 2.642 1.00 1.38 H new ATOM 0 HB3 GLU A 35 20.096 -3.309 4.099 1.00 1.38 H new ATOM 0 HG2 GLU A 35 19.426 -5.458 3.262 1.00 1.47 H new ATOM 0 HG3 GLU A 35 19.859 -5.046 1.614 1.00 1.47 H new ATOM 322 N ARG A 36 19.645 -0.338 2.452 1.00 1.08 N ATOM 323 CA ARG A 36 19.578 1.108 2.760 1.00 1.11 C ATOM 324 C ARG A 36 18.309 1.802 2.251 1.00 0.98 C ATOM 325 O ARG A 36 17.973 2.862 2.779 1.00 1.30 O ATOM 326 CB ARG A 36 20.828 1.830 2.228 1.00 1.20 C ATOM 327 CG ARG A 36 22.098 1.587 3.055 1.00 1.51 C ATOM 328 CD ARG A 36 21.975 2.133 4.490 1.00 2.27 C ATOM 329 NE ARG A 36 23.292 2.370 5.112 1.00 2.41 N ATOM 330 CZ ARG A 36 24.191 1.463 5.442 1.00 3.10 C ATOM 331 NH1 ARG A 36 23.953 0.191 5.396 1.00 4.28 N ATOM 332 NH2 ARG A 36 25.376 1.846 5.808 1.00 3.30 N ATOM 0 H ARG A 36 20.417 -0.588 1.834 1.00 1.08 H new ATOM 0 HA ARG A 36 19.541 1.176 3.847 1.00 1.11 H new ATOM 0 HB2 ARG A 36 21.010 1.509 1.202 1.00 1.20 H new ATOM 0 HB3 ARG A 36 20.629 2.901 2.196 1.00 1.20 H new ATOM 0 HG2 ARG A 36 22.305 0.518 3.092 1.00 1.51 H new ATOM 0 HG3 ARG A 36 22.947 2.059 2.560 1.00 1.51 H new ATOM 0 HD2 ARG A 36 21.409 3.065 4.475 1.00 2.27 H new ATOM 0 HD3 ARG A 36 21.410 1.427 5.098 1.00 2.27 H new ATOM 0 HE ARG A 36 23.534 3.341 5.308 1.00 2.41 H new ATOM 0 HH11 ARG A 36 23.039 -0.146 5.095 1.00 4.28 H new ATOM 0 HH12 ARG A 36 24.680 -0.474 5.661 1.00 4.28 H new ATOM 0 HH21 ARG A 36 25.604 2.840 5.838 1.00 3.30 H new ATOM 0 HH22 ARG A 36 26.079 1.153 6.065 1.00 3.30 H new ATOM 346 N CYS A 37 17.591 1.213 1.291 1.00 0.76 N ATOM 347 CA CYS A 37 16.231 1.635 0.904 1.00 0.69 C ATOM 348 C CYS A 37 15.109 0.604 1.201 1.00 0.66 C ATOM 349 O CYS A 37 14.029 0.682 0.611 1.00 0.69 O ATOM 350 CB CYS A 37 16.255 2.207 -0.526 1.00 0.66 C ATOM 351 SG CYS A 37 16.824 3.936 -0.556 1.00 0.88 S ATOM 0 H CYS A 37 17.937 0.420 0.751 1.00 0.76 H new ATOM 0 HA CYS A 37 15.931 2.445 1.569 1.00 0.69 H new ATOM 0 HB2 CYS A 37 16.910 1.598 -1.149 1.00 0.66 H new ATOM 0 HB3 CYS A 37 15.256 2.146 -0.958 1.00 0.66 H new ATOM 356 N SER A 38 15.305 -0.327 2.151 1.00 0.73 N ATOM 357 CA SER A 38 14.291 -1.332 2.545 1.00 0.74 C ATOM 358 C SER A 38 12.947 -0.723 2.974 1.00 0.80 C ATOM 359 O SER A 38 11.895 -1.298 2.686 1.00 0.86 O ATOM 360 CB SER A 38 14.839 -2.244 3.655 1.00 0.92 C ATOM 361 OG SER A 38 13.838 -3.129 4.143 1.00 2.36 O ATOM 0 H SER A 38 16.177 -0.407 2.674 1.00 0.73 H new ATOM 0 HA SER A 38 14.088 -1.919 1.649 1.00 0.74 H new ATOM 0 HB2 SER A 38 15.681 -2.821 3.271 1.00 0.92 H new ATOM 0 HB3 SER A 38 15.218 -1.634 4.475 1.00 0.92 H new ATOM 0 HG SER A 38 14.218 -3.696 4.846 1.00 2.36 H new ATOM 367 N THR A 39 12.941 0.478 3.568 1.00 0.92 N ATOM 368 CA THR A 39 11.706 1.161 3.997 1.00 1.08 C ATOM 369 C THR A 39 10.750 1.441 2.828 1.00 0.83 C ATOM 370 O THR A 39 9.540 1.455 3.024 1.00 0.86 O ATOM 371 CB THR A 39 12.026 2.423 4.819 1.00 1.53 C ATOM 372 OG1 THR A 39 12.521 2.020 6.080 1.00 3.29 O ATOM 373 CG2 THR A 39 10.824 3.318 5.127 1.00 2.81 C ATOM 0 H THR A 39 13.791 1.006 3.766 1.00 0.92 H new ATOM 0 HA THR A 39 11.170 0.477 4.655 1.00 1.08 H new ATOM 0 HB THR A 39 12.728 2.990 4.208 1.00 1.53 H new ATOM 0 HG1 THR A 39 12.732 2.812 6.617 1.00 3.29 H new ATOM 0 HG21 THR A 39 11.151 4.179 5.709 1.00 2.81 H new ATOM 0 HG22 THR A 39 10.376 3.660 4.194 1.00 2.81 H new ATOM 0 HG23 THR A 39 10.087 2.753 5.698 1.00 2.81 H new ATOM 381 N TYR A 40 11.233 1.565 1.588 1.00 0.71 N ATOM 382 CA TYR A 40 10.362 1.719 0.415 1.00 0.60 C ATOM 383 C TYR A 40 9.623 0.413 0.078 1.00 0.62 C ATOM 384 O TYR A 40 8.412 0.413 -0.148 1.00 0.72 O ATOM 385 CB TYR A 40 11.182 2.182 -0.791 1.00 0.55 C ATOM 386 CG TYR A 40 11.734 3.594 -0.713 1.00 0.68 C ATOM 387 CD1 TYR A 40 12.766 3.920 0.189 1.00 1.90 C ATOM 388 CD2 TYR A 40 11.225 4.581 -1.576 1.00 1.81 C ATOM 389 CE1 TYR A 40 13.273 5.235 0.244 1.00 2.07 C ATOM 390 CE2 TYR A 40 11.749 5.884 -1.545 1.00 1.87 C ATOM 391 CZ TYR A 40 12.767 6.223 -0.630 1.00 1.17 C ATOM 392 OH TYR A 40 13.231 7.500 -0.591 1.00 1.46 O ATOM 0 H TYR A 40 12.229 1.562 1.368 1.00 0.71 H new ATOM 0 HA TYR A 40 9.612 2.472 0.657 1.00 0.60 H new ATOM 0 HB2 TYR A 40 12.016 1.493 -0.925 1.00 0.55 H new ATOM 0 HB3 TYR A 40 10.558 2.105 -1.682 1.00 0.55 H new ATOM 0 HD1 TYR A 40 13.171 3.160 0.841 1.00 1.90 H new ATOM 0 HD2 TYR A 40 10.429 4.337 -2.264 1.00 1.81 H new ATOM 0 HE1 TYR A 40 14.047 5.486 0.954 1.00 2.07 H new ATOM 0 HE2 TYR A 40 11.370 6.631 -2.226 1.00 1.87 H new ATOM 0 HH TYR A 40 12.766 8.038 -1.266 1.00 1.46 H new ATOM 402 N PHE A 41 10.334 -0.717 0.107 1.00 0.62 N ATOM 403 CA PHE A 41 9.728 -2.042 -0.098 1.00 0.76 C ATOM 404 C PHE A 41 8.764 -2.418 1.037 1.00 0.90 C ATOM 405 O PHE A 41 7.717 -3.013 0.779 1.00 1.04 O ATOM 406 CB PHE A 41 10.821 -3.099 -0.288 1.00 0.83 C ATOM 407 CG PHE A 41 11.694 -2.864 -1.505 1.00 2.37 C ATOM 408 CD1 PHE A 41 11.121 -2.848 -2.792 1.00 3.72 C ATOM 409 CD2 PHE A 41 13.079 -2.661 -1.357 1.00 3.80 C ATOM 410 CE1 PHE A 41 11.930 -2.634 -3.923 1.00 5.36 C ATOM 411 CE2 PHE A 41 13.887 -2.451 -2.488 1.00 5.56 C ATOM 412 CZ PHE A 41 13.314 -2.442 -3.771 1.00 6.08 C ATOM 0 H PHE A 41 11.340 -0.743 0.272 1.00 0.62 H new ATOM 0 HA PHE A 41 9.128 -2.001 -1.007 1.00 0.76 H new ATOM 0 HB2 PHE A 41 11.451 -3.120 0.601 1.00 0.83 H new ATOM 0 HB3 PHE A 41 10.354 -4.080 -0.371 1.00 0.83 H new ATOM 0 HD1 PHE A 41 10.058 -3.000 -2.911 1.00 3.72 H new ATOM 0 HD2 PHE A 41 13.522 -2.667 -0.372 1.00 3.80 H new ATOM 0 HE1 PHE A 41 11.488 -2.617 -4.908 1.00 5.36 H new ATOM 0 HE2 PHE A 41 14.949 -2.296 -2.371 1.00 5.56 H new ATOM 0 HZ PHE A 41 13.937 -2.288 -4.640 1.00 6.08 H new ATOM 422 N LEU A 42 9.050 -1.962 2.260 1.00 0.93 N ATOM 423 CA LEU A 42 8.126 -1.980 3.397 1.00 1.07 C ATOM 424 C LEU A 42 6.871 -1.146 3.146 1.00 1.08 C ATOM 425 O LEU A 42 5.765 -1.651 3.313 1.00 1.15 O ATOM 426 CB LEU A 42 8.904 -1.528 4.652 1.00 1.12 C ATOM 427 CG LEU A 42 8.103 -0.872 5.792 1.00 1.21 C ATOM 428 CD1 LEU A 42 7.160 -1.857 6.465 1.00 1.27 C ATOM 429 CD2 LEU A 42 9.055 -0.332 6.855 1.00 1.28 C ATOM 0 H LEU A 42 9.957 -1.558 2.493 1.00 0.93 H new ATOM 0 HA LEU A 42 7.754 -2.993 3.549 1.00 1.07 H new ATOM 0 HB2 LEU A 42 9.417 -2.399 5.060 1.00 1.12 H new ATOM 0 HB3 LEU A 42 9.673 -0.824 4.334 1.00 1.12 H new ATOM 0 HG LEU A 42 7.518 -0.068 5.346 1.00 1.21 H new ATOM 0 HD11 LEU A 42 6.615 -1.352 7.263 1.00 1.27 H new ATOM 0 HD12 LEU A 42 6.453 -2.243 5.731 1.00 1.27 H new ATOM 0 HD13 LEU A 42 7.735 -2.683 6.884 1.00 1.27 H new ATOM 0 HD21 LEU A 42 8.480 0.130 7.657 1.00 1.28 H new ATOM 0 HD22 LEU A 42 9.650 -1.150 7.260 1.00 1.28 H new ATOM 0 HD23 LEU A 42 9.716 0.411 6.408 1.00 1.28 H new ATOM 441 N ARG A 43 7.003 0.097 2.681 1.00 1.02 N ATOM 442 CA ARG A 43 5.843 0.931 2.335 1.00 1.06 C ATOM 443 C ARG A 43 5.019 0.318 1.209 1.00 1.07 C ATOM 444 O ARG A 43 3.797 0.426 1.228 1.00 1.15 O ATOM 445 CB ARG A 43 6.302 2.346 1.990 1.00 1.07 C ATOM 446 CG ARG A 43 6.805 3.071 3.242 1.00 1.18 C ATOM 447 CD ARG A 43 7.566 4.364 2.899 1.00 1.32 C ATOM 448 NE ARG A 43 6.768 5.286 2.067 1.00 2.35 N ATOM 449 CZ ARG A 43 5.630 5.865 2.397 1.00 3.38 C ATOM 450 NH1 ARG A 43 5.174 5.834 3.612 1.00 4.24 N ATOM 451 NH2 ARG A 43 4.925 6.456 1.481 1.00 4.65 N ATOM 0 H ARG A 43 7.903 0.553 2.534 1.00 1.02 H new ATOM 0 HA ARG A 43 5.188 0.982 3.205 1.00 1.06 H new ATOM 0 HB2 ARG A 43 7.096 2.305 1.244 1.00 1.07 H new ATOM 0 HB3 ARG A 43 5.477 2.904 1.547 1.00 1.07 H new ATOM 0 HG2 ARG A 43 5.959 3.310 3.886 1.00 1.18 H new ATOM 0 HG3 ARG A 43 7.458 2.406 3.807 1.00 1.18 H new ATOM 0 HD2 ARG A 43 7.853 4.868 3.822 1.00 1.32 H new ATOM 0 HD3 ARG A 43 8.487 4.111 2.374 1.00 1.32 H new ATOM 0 HE ARG A 43 7.135 5.498 1.139 1.00 2.35 H new ATOM 0 HH11 ARG A 43 5.699 5.352 4.342 1.00 4.24 H new ATOM 0 HH12 ARG A 43 4.290 6.291 3.837 1.00 4.24 H new ATOM 0 HH21 ARG A 43 5.253 6.470 0.515 1.00 4.65 H new ATOM 0 HH22 ARG A 43 4.044 6.906 1.727 1.00 4.65 H new ATOM 465 N TYR A 44 5.657 -0.417 0.301 1.00 1.03 N ATOM 466 CA TYR A 44 4.947 -1.184 -0.730 1.00 1.07 C ATOM 467 C TYR A 44 4.209 -2.386 -0.118 1.00 1.13 C ATOM 468 O TYR A 44 3.055 -2.646 -0.454 1.00 1.23 O ATOM 469 CB TYR A 44 5.926 -1.567 -1.847 1.00 1.05 C ATOM 470 CG TYR A 44 5.305 -2.265 -3.038 1.00 1.21 C ATOM 471 CD1 TYR A 44 4.913 -3.613 -2.964 1.00 1.69 C ATOM 472 CD2 TYR A 44 5.170 -1.563 -4.246 1.00 2.50 C ATOM 473 CE1 TYR A 44 4.380 -4.252 -4.101 1.00 1.72 C ATOM 474 CE2 TYR A 44 4.660 -2.205 -5.392 1.00 2.76 C ATOM 475 CZ TYR A 44 4.262 -3.556 -5.321 1.00 1.71 C ATOM 476 OH TYR A 44 3.779 -4.189 -6.419 1.00 2.00 O ATOM 0 H TYR A 44 6.673 -0.500 0.255 1.00 1.03 H new ATOM 0 HA TYR A 44 4.169 -0.567 -1.181 1.00 1.07 H new ATOM 0 HB2 TYR A 44 6.426 -0.663 -2.196 1.00 1.05 H new ATOM 0 HB3 TYR A 44 6.696 -2.215 -1.427 1.00 1.05 H new ATOM 0 HD1 TYR A 44 5.020 -4.158 -2.038 1.00 1.69 H new ATOM 0 HD2 TYR A 44 5.459 -0.524 -4.297 1.00 2.50 H new ATOM 0 HE1 TYR A 44 4.060 -5.281 -4.037 1.00 1.72 H new ATOM 0 HE2 TYR A 44 4.574 -1.664 -6.323 1.00 2.76 H new ATOM 0 HH TYR A 44 3.762 -3.566 -7.175 1.00 2.00 H new ATOM 486 N LYS A 45 4.814 -3.063 0.865 1.00 1.10 N ATOM 487 CA LYS A 45 4.151 -4.110 1.654 1.00 1.17 C ATOM 488 C LYS A 45 2.971 -3.562 2.463 1.00 1.28 C ATOM 489 O LYS A 45 1.931 -4.209 2.522 1.00 1.40 O ATOM 490 CB LYS A 45 5.188 -4.817 2.540 1.00 1.14 C ATOM 491 CG LYS A 45 4.764 -6.267 2.805 1.00 1.62 C ATOM 492 CD LYS A 45 5.814 -7.069 3.586 1.00 1.54 C ATOM 493 CE LYS A 45 7.203 -7.131 2.936 1.00 2.59 C ATOM 494 NZ LYS A 45 7.180 -7.615 1.536 1.00 3.90 N ATOM 0 H LYS A 45 5.783 -2.899 1.138 1.00 1.10 H new ATOM 0 HA LYS A 45 3.723 -4.844 0.971 1.00 1.17 H new ATOM 0 HB2 LYS A 45 6.163 -4.800 2.054 1.00 1.14 H new ATOM 0 HB3 LYS A 45 5.293 -4.283 3.485 1.00 1.14 H new ATOM 0 HG2 LYS A 45 3.827 -6.269 3.361 1.00 1.62 H new ATOM 0 HG3 LYS A 45 4.571 -6.762 1.853 1.00 1.62 H new ATOM 0 HD2 LYS A 45 5.915 -6.634 4.580 1.00 1.54 H new ATOM 0 HD3 LYS A 45 5.446 -8.087 3.719 1.00 1.54 H new ATOM 0 HE2 LYS A 45 7.652 -6.138 2.961 1.00 2.59 H new ATOM 0 HE3 LYS A 45 7.843 -7.785 3.528 1.00 2.59 H new ATOM 0 HZ1 LYS A 45 8.149 -7.632 1.159 1.00 3.90 H new ATOM 0 HZ2 LYS A 45 6.780 -8.575 1.507 1.00 3.90 H new ATOM 0 HZ3 LYS A 45 6.595 -6.978 0.958 1.00 3.90 H new ATOM 508 N ASN A 46 3.054 -2.327 2.966 1.00 1.31 N ATOM 509 CA ASN A 46 1.937 -1.630 3.614 1.00 1.44 C ATOM 510 C ASN A 46 0.783 -1.386 2.617 1.00 1.54 C ATOM 511 O ASN A 46 -0.385 -1.514 2.986 1.00 1.65 O ATOM 512 CB ASN A 46 2.416 -0.308 4.251 1.00 1.46 C ATOM 513 CG ASN A 46 3.514 -0.441 5.297 1.00 1.41 C ATOM 514 OD1 ASN A 46 3.686 -1.467 5.943 1.00 1.42 O ATOM 515 ND2 ASN A 46 4.234 0.626 5.556 1.00 1.38 N ATOM 0 H ASN A 46 3.911 -1.775 2.935 1.00 1.31 H new ATOM 0 HA ASN A 46 1.554 -2.267 4.411 1.00 1.44 H new ATOM 0 HB2 ASN A 46 2.773 0.348 3.457 1.00 1.46 H new ATOM 0 HB3 ASN A 46 1.559 0.184 4.711 1.00 1.46 H new ATOM 0 HD21 ASN A 46 4.936 0.600 6.295 1.00 1.38 H new ATOM 0 HD22 ASN A 46 4.091 1.481 5.018 1.00 1.38 H new ATOM 522 N CYS A 47 1.084 -1.123 1.338 1.00 1.56 N ATOM 523 CA CYS A 47 0.076 -0.987 0.280 1.00 1.67 C ATOM 524 C CYS A 47 -0.681 -2.286 -0.055 1.00 1.76 C ATOM 525 O CYS A 47 -1.796 -2.240 -0.587 1.00 2.29 O ATOM 526 CB CYS A 47 0.726 -0.449 -1.002 1.00 1.66 C ATOM 527 SG CYS A 47 1.657 1.101 -0.906 1.00 1.40 S ATOM 0 H CYS A 47 2.041 -0.998 1.007 1.00 1.56 H new ATOM 0 HA CYS A 47 -0.662 -0.289 0.676 1.00 1.67 H new ATOM 0 HB2 CYS A 47 1.399 -1.218 -1.382 1.00 1.66 H new ATOM 0 HB3 CYS A 47 -0.061 -0.319 -1.745 1.00 1.66 H new ATOM 532 N ARG A 48 -0.108 -3.442 0.289 1.00 1.36 N ATOM 533 CA ARG A 48 -0.815 -4.732 0.346 1.00 1.28 C ATOM 534 C ARG A 48 -1.509 -4.941 1.689 1.00 1.08 C ATOM 535 O ARG A 48 -2.722 -5.151 1.697 1.00 0.97 O ATOM 536 CB ARG A 48 0.152 -5.899 0.049 1.00 1.38 C ATOM 537 CG ARG A 48 0.946 -5.818 -1.266 1.00 1.46 C ATOM 538 CD ARG A 48 0.065 -5.990 -2.507 1.00 2.12 C ATOM 539 NE ARG A 48 0.874 -6.202 -3.720 1.00 3.23 N ATOM 540 CZ ARG A 48 0.485 -6.089 -4.975 1.00 4.51 C ATOM 541 NH1 ARG A 48 -0.745 -5.812 -5.300 1.00 4.98 N ATOM 542 NH2 ARG A 48 1.340 -6.267 -5.938 1.00 5.70 N ATOM 0 H ARG A 48 0.878 -3.513 0.541 1.00 1.36 H new ATOM 0 HA ARG A 48 -1.587 -4.713 -0.423 1.00 1.28 H new ATOM 0 HB2 ARG A 48 0.863 -5.970 0.872 1.00 1.38 H new ATOM 0 HB3 ARG A 48 -0.423 -6.825 0.043 1.00 1.38 H new ATOM 0 HG2 ARG A 48 1.455 -4.855 -1.319 1.00 1.46 H new ATOM 0 HG3 ARG A 48 1.718 -6.587 -1.266 1.00 1.46 H new ATOM 0 HD2 ARG A 48 -0.606 -6.837 -2.363 1.00 2.12 H new ATOM 0 HD3 ARG A 48 -0.560 -5.107 -2.636 1.00 2.12 H new ATOM 0 HE ARG A 48 1.848 -6.467 -3.572 1.00 3.23 H new ATOM 0 HH11 ARG A 48 -1.446 -5.674 -4.572 1.00 4.98 H new ATOM 0 HH12 ARG A 48 -1.007 -5.733 -6.282 1.00 4.98 H new ATOM 0 HH21 ARG A 48 2.311 -6.494 -5.723 1.00 5.70 H new ATOM 0 HH22 ARG A 48 1.040 -6.180 -6.909 1.00 5.70 H new ATOM 556 N ARG A 49 -0.784 -4.841 2.810 1.00 1.08 N ATOM 557 CA ARG A 49 -1.272 -5.158 4.166 1.00 0.97 C ATOM 558 C ARG A 49 -2.470 -4.313 4.583 1.00 0.85 C ATOM 559 O ARG A 49 -3.415 -4.879 5.137 1.00 0.74 O ATOM 560 CB ARG A 49 -0.118 -5.069 5.185 1.00 1.06 C ATOM 561 CG ARG A 49 -0.596 -5.322 6.631 1.00 0.97 C ATOM 562 CD ARG A 49 0.549 -5.665 7.596 1.00 1.27 C ATOM 563 NE ARG A 49 1.082 -7.011 7.336 1.00 2.62 N ATOM 564 CZ ARG A 49 0.564 -8.169 7.698 1.00 3.91 C ATOM 565 NH1 ARG A 49 -0.444 -8.293 8.516 1.00 4.63 N ATOM 566 NH2 ARG A 49 1.056 -9.267 7.220 1.00 5.39 N ATOM 0 H ARG A 49 0.187 -4.529 2.803 1.00 1.08 H new ATOM 0 HA ARG A 49 -1.636 -6.185 4.147 1.00 0.97 H new ATOM 0 HB2 ARG A 49 0.650 -5.797 4.926 1.00 1.06 H new ATOM 0 HB3 ARG A 49 0.343 -4.083 5.124 1.00 1.06 H new ATOM 0 HG2 ARG A 49 -1.116 -4.436 6.995 1.00 0.97 H new ATOM 0 HG3 ARG A 49 -1.319 -6.138 6.630 1.00 0.97 H new ATOM 0 HD2 ARG A 49 1.347 -4.929 7.493 1.00 1.27 H new ATOM 0 HD3 ARG A 49 0.191 -5.605 8.624 1.00 1.27 H new ATOM 0 HE ARG A 49 1.957 -7.054 6.813 1.00 2.62 H new ATOM 0 HH11 ARG A 49 -0.880 -7.463 8.917 1.00 4.63 H new ATOM 0 HH12 ARG A 49 -0.796 -9.220 8.755 1.00 4.63 H new ATOM 0 HH21 ARG A 49 1.839 -9.233 6.568 1.00 5.39 H new ATOM 0 HH22 ARG A 49 0.660 -10.166 7.496 1.00 5.39 H new ATOM 580 N PHE A 50 -2.498 -3.012 4.275 1.00 0.89 N ATOM 581 CA PHE A 50 -3.657 -2.186 4.629 1.00 0.78 C ATOM 582 C PHE A 50 -4.912 -2.695 3.932 1.00 0.69 C ATOM 583 O PHE A 50 -5.920 -3.014 4.558 1.00 0.57 O ATOM 584 CB PHE A 50 -3.431 -0.730 4.227 1.00 0.84 C ATOM 585 CG PHE A 50 -4.593 0.154 4.648 1.00 0.70 C ATOM 586 CD1 PHE A 50 -4.786 0.478 6.005 1.00 1.62 C ATOM 587 CD2 PHE A 50 -5.529 0.590 3.693 1.00 1.96 C ATOM 588 CE1 PHE A 50 -5.884 1.265 6.393 1.00 1.68 C ATOM 589 CE2 PHE A 50 -6.635 1.366 4.082 1.00 1.87 C ATOM 590 CZ PHE A 50 -6.808 1.712 5.433 1.00 0.56 C ATOM 0 H PHE A 50 -1.749 -2.517 3.792 1.00 0.89 H new ATOM 0 HA PHE A 50 -3.785 -2.249 5.710 1.00 0.78 H new ATOM 0 HB2 PHE A 50 -2.511 -0.365 4.684 1.00 0.84 H new ATOM 0 HB3 PHE A 50 -3.298 -0.667 3.147 1.00 0.84 H new ATOM 0 HD1 PHE A 50 -4.089 0.121 6.749 1.00 1.62 H new ATOM 0 HD2 PHE A 50 -5.397 0.327 2.654 1.00 1.96 H new ATOM 0 HE1 PHE A 50 -6.018 1.527 7.432 1.00 1.68 H new ATOM 0 HE2 PHE A 50 -7.351 1.696 3.343 1.00 1.87 H new ATOM 0 HZ PHE A 50 -7.649 2.320 5.733 1.00 0.56 H new ATOM 600 N TRP A 51 -4.819 -2.841 2.614 1.00 0.79 N ATOM 601 CA TRP A 51 -5.981 -3.195 1.808 1.00 0.74 C ATOM 602 C TRP A 51 -6.398 -4.666 2.005 1.00 0.72 C ATOM 603 O TRP A 51 -7.591 -4.957 2.020 1.00 0.66 O ATOM 604 CB TRP A 51 -5.724 -2.747 0.370 1.00 0.82 C ATOM 605 CG TRP A 51 -5.680 -1.246 0.212 1.00 0.78 C ATOM 606 CD1 TRP A 51 -4.570 -0.478 0.080 1.00 0.80 C ATOM 607 CD2 TRP A 51 -6.788 -0.288 0.312 1.00 0.71 C ATOM 608 NE1 TRP A 51 -4.926 0.841 -0.077 1.00 0.78 N ATOM 609 CE2 TRP A 51 -6.266 1.028 0.128 1.00 0.71 C ATOM 610 CE3 TRP A 51 -8.163 -0.378 0.628 1.00 0.66 C ATOM 611 CZ2 TRP A 51 -7.047 2.182 0.224 1.00 0.68 C ATOM 612 CZ3 TRP A 51 -8.951 0.784 0.781 1.00 0.61 C ATOM 613 CH2 TRP A 51 -8.396 2.061 0.580 1.00 0.63 C ATOM 0 H TRP A 51 -3.956 -2.720 2.084 1.00 0.79 H new ATOM 0 HA TRP A 51 -6.870 -2.660 2.141 1.00 0.74 H new ATOM 0 HB2 TRP A 51 -4.779 -3.169 0.028 1.00 0.82 H new ATOM 0 HB3 TRP A 51 -6.505 -3.151 -0.274 1.00 0.82 H new ATOM 0 HD1 TRP A 51 -3.555 -0.848 0.096 1.00 0.80 H new ATOM 0 HE1 TRP A 51 -4.273 1.587 -0.316 1.00 0.78 H new ATOM 0 HE3 TRP A 51 -8.617 -1.350 0.754 1.00 0.66 H new ATOM 0 HZ2 TRP A 51 -6.617 3.153 0.027 1.00 0.68 H new ATOM 0 HZ3 TRP A 51 -9.991 0.691 1.055 1.00 0.61 H new ATOM 0 HH2 TRP A 51 -9.007 2.943 0.700 1.00 0.63 H new ATOM 624 N ASN A 52 -5.462 -5.564 2.333 1.00 0.75 N ATOM 625 CA ASN A 52 -5.751 -6.906 2.846 1.00 0.72 C ATOM 626 C ASN A 52 -6.471 -6.885 4.207 1.00 0.60 C ATOM 627 O ASN A 52 -7.352 -7.713 4.445 1.00 0.59 O ATOM 628 CB ASN A 52 -4.427 -7.678 2.958 1.00 0.83 C ATOM 629 CG ASN A 52 -4.113 -8.444 1.695 1.00 1.24 C ATOM 630 OD1 ASN A 52 -4.389 -9.635 1.611 1.00 2.30 O ATOM 631 ND2 ASN A 52 -3.608 -7.797 0.675 1.00 1.93 N ATOM 0 H ASN A 52 -4.464 -5.374 2.247 1.00 0.75 H new ATOM 0 HA ASN A 52 -6.430 -7.397 2.149 1.00 0.72 H new ATOM 0 HB2 ASN A 52 -3.617 -6.980 3.170 1.00 0.83 H new ATOM 0 HB3 ASN A 52 -4.480 -8.370 3.798 1.00 0.83 H new ATOM 0 HD21 ASN A 52 -3.439 -8.284 -0.205 1.00 1.93 H new ATOM 0 HD22 ASN A 52 -3.383 -6.806 0.760 1.00 1.93 H new ATOM 638 N SER A 53 -6.133 -5.934 5.081 1.00 0.55 N ATOM 639 CA SER A 53 -6.830 -5.736 6.355 1.00 0.47 C ATOM 640 C SER A 53 -8.264 -5.238 6.134 1.00 0.39 C ATOM 641 O SER A 53 -9.180 -5.726 6.797 1.00 0.41 O ATOM 642 CB SER A 53 -6.054 -4.785 7.276 1.00 0.52 C ATOM 643 OG SER A 53 -4.711 -5.213 7.446 1.00 1.40 O ATOM 0 H SER A 53 -5.367 -5.278 4.925 1.00 0.55 H new ATOM 0 HA SER A 53 -6.886 -6.706 6.850 1.00 0.47 H new ATOM 0 HB2 SER A 53 -6.067 -3.779 6.857 1.00 0.52 H new ATOM 0 HB3 SER A 53 -6.547 -4.733 8.247 1.00 0.52 H new ATOM 0 HG SER A 53 -4.145 -4.793 6.765 1.00 1.40 H new ATOM 649 N ILE A 54 -8.502 -4.352 5.156 1.00 0.42 N ATOM 650 CA ILE A 54 -9.859 -3.935 4.754 1.00 0.43 C ATOM 651 C ILE A 54 -10.663 -5.126 4.208 1.00 0.50 C ATOM 652 O ILE A 54 -11.807 -5.330 4.612 1.00 0.55 O ATOM 653 CB ILE A 54 -9.796 -2.762 3.748 1.00 0.53 C ATOM 654 CG1 ILE A 54 -9.082 -1.518 4.327 1.00 0.54 C ATOM 655 CG2 ILE A 54 -11.196 -2.377 3.238 1.00 0.60 C ATOM 656 CD1 ILE A 54 -9.735 -0.894 5.568 1.00 0.47 C ATOM 0 H ILE A 54 -7.760 -3.902 4.619 1.00 0.42 H new ATOM 0 HA ILE A 54 -10.386 -3.575 5.637 1.00 0.43 H new ATOM 0 HB ILE A 54 -9.203 -3.121 2.907 1.00 0.53 H new ATOM 0 HG12 ILE A 54 -8.058 -1.794 4.578 1.00 0.54 H new ATOM 0 HG13 ILE A 54 -9.026 -0.758 3.548 1.00 0.54 H new ATOM 0 HG21 ILE A 54 -11.112 -1.550 2.533 1.00 0.60 H new ATOM 0 HG22 ILE A 54 -11.650 -3.233 2.739 1.00 0.60 H new ATOM 0 HG23 ILE A 54 -11.819 -2.075 4.080 1.00 0.60 H new ATOM 0 HD11 ILE A 54 -9.153 -0.030 5.890 1.00 0.47 H new ATOM 0 HD12 ILE A 54 -10.750 -0.578 5.325 1.00 0.47 H new ATOM 0 HD13 ILE A 54 -9.766 -1.630 6.372 1.00 0.47 H new ATOM 668 N VAL A 55 -10.047 -5.973 3.376 1.00 0.56 N ATOM 669 CA VAL A 55 -10.651 -7.222 2.878 1.00 0.66 C ATOM 670 C VAL A 55 -11.089 -8.125 4.035 1.00 0.64 C ATOM 671 O VAL A 55 -12.255 -8.511 4.082 1.00 0.71 O ATOM 672 CB VAL A 55 -9.679 -7.935 1.918 1.00 0.77 C ATOM 673 CG1 VAL A 55 -10.050 -9.383 1.592 1.00 0.87 C ATOM 674 CG2 VAL A 55 -9.585 -7.171 0.596 1.00 0.85 C ATOM 0 H VAL A 55 -9.104 -5.812 3.023 1.00 0.56 H new ATOM 0 HA VAL A 55 -11.552 -6.977 2.316 1.00 0.66 H new ATOM 0 HB VAL A 55 -8.728 -7.953 2.450 1.00 0.77 H new ATOM 0 HG11 VAL A 55 -9.310 -9.804 0.911 1.00 0.87 H new ATOM 0 HG12 VAL A 55 -10.071 -9.969 2.511 1.00 0.87 H new ATOM 0 HG13 VAL A 55 -11.033 -9.410 1.122 1.00 0.87 H new ATOM 0 HG21 VAL A 55 -8.895 -7.685 -0.073 1.00 0.85 H new ATOM 0 HG22 VAL A 55 -10.571 -7.122 0.133 1.00 0.85 H new ATOM 0 HG23 VAL A 55 -9.222 -6.161 0.785 1.00 0.85 H new ATOM 684 N MET A 56 -10.226 -8.385 5.024 1.00 0.60 N ATOM 685 CA MET A 56 -10.588 -9.179 6.215 1.00 0.64 C ATOM 686 C MET A 56 -11.706 -8.534 7.056 1.00 0.67 C ATOM 687 O MET A 56 -12.585 -9.227 7.573 1.00 0.81 O ATOM 688 CB MET A 56 -9.342 -9.399 7.088 1.00 0.62 C ATOM 689 CG MET A 56 -8.332 -10.368 6.464 1.00 0.71 C ATOM 690 SD MET A 56 -8.941 -12.065 6.260 1.00 1.36 S ATOM 691 CE MET A 56 -7.455 -12.836 5.567 1.00 2.04 C ATOM 0 H MET A 56 -9.261 -8.055 5.026 1.00 0.60 H new ATOM 0 HA MET A 56 -10.975 -10.132 5.855 1.00 0.64 H new ATOM 0 HB2 MET A 56 -8.855 -8.440 7.263 1.00 0.62 H new ATOM 0 HB3 MET A 56 -9.651 -9.782 8.061 1.00 0.62 H new ATOM 0 HG2 MET A 56 -8.034 -9.983 5.489 1.00 0.71 H new ATOM 0 HG3 MET A 56 -7.437 -10.389 7.086 1.00 0.71 H new ATOM 0 HE1 MET A 56 -7.648 -13.892 5.377 1.00 2.04 H new ATOM 0 HE2 MET A 56 -7.191 -12.341 4.632 1.00 2.04 H new ATOM 0 HE3 MET A 56 -6.631 -12.739 6.274 1.00 2.04 H new ATOM 701 N GLN A 57 -11.715 -7.202 7.154 1.00 0.56 N ATOM 702 CA GLN A 57 -12.736 -6.417 7.864 1.00 0.61 C ATOM 703 C GLN A 57 -14.067 -6.329 7.095 1.00 0.67 C ATOM 704 O GLN A 57 -15.096 -6.028 7.699 1.00 0.83 O ATOM 705 CB GLN A 57 -12.173 -5.014 8.163 1.00 0.56 C ATOM 706 CG GLN A 57 -11.455 -4.838 9.517 1.00 0.69 C ATOM 707 CD GLN A 57 -10.701 -6.048 10.066 1.00 1.10 C ATOM 708 OE1 GLN A 57 -11.049 -6.620 11.091 1.00 2.05 O ATOM 709 NE2 GLN A 57 -9.630 -6.489 9.448 1.00 1.79 N ATOM 0 H GLN A 57 -10.992 -6.620 6.730 1.00 0.56 H new ATOM 0 HA GLN A 57 -12.967 -6.931 8.797 1.00 0.61 H new ATOM 0 HB2 GLN A 57 -11.475 -4.750 7.369 1.00 0.56 H new ATOM 0 HB3 GLN A 57 -12.994 -4.299 8.116 1.00 0.56 H new ATOM 0 HG2 GLN A 57 -10.748 -4.014 9.421 1.00 0.69 H new ATOM 0 HG3 GLN A 57 -12.197 -4.537 10.257 1.00 0.69 H new ATOM 0 HE21 GLN A 57 -9.312 -6.035 8.591 1.00 1.79 H new ATOM 0 HE22 GLN A 57 -9.116 -7.285 9.824 1.00 1.79 H new ATOM 718 N ARG A 58 -14.082 -6.609 5.787 1.00 0.68 N ATOM 719 CA ARG A 58 -15.300 -6.779 4.969 1.00 0.78 C ATOM 720 C ARG A 58 -15.776 -8.232 4.873 1.00 0.87 C ATOM 721 O ARG A 58 -16.973 -8.498 4.755 1.00 0.94 O ATOM 722 CB ARG A 58 -15.045 -6.173 3.583 1.00 0.80 C ATOM 723 CG ARG A 58 -15.019 -4.640 3.633 1.00 0.90 C ATOM 724 CD ARG A 58 -14.737 -4.038 2.253 1.00 1.01 C ATOM 725 NE ARG A 58 -15.145 -2.628 2.197 1.00 0.98 N ATOM 726 CZ ARG A 58 -15.859 -2.019 1.272 1.00 1.81 C ATOM 727 NH1 ARG A 58 -16.245 -2.554 0.148 1.00 3.83 N ATOM 728 NH2 ARG A 58 -16.223 -0.796 1.485 1.00 1.59 N ATOM 0 H ARG A 58 -13.225 -6.728 5.247 1.00 0.68 H new ATOM 0 HA ARG A 58 -16.116 -6.253 5.464 1.00 0.78 H new ATOM 0 HB2 ARG A 58 -14.096 -6.541 3.193 1.00 0.80 H new ATOM 0 HB3 ARG A 58 -15.822 -6.502 2.893 1.00 0.80 H new ATOM 0 HG2 ARG A 58 -15.975 -4.271 4.004 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -14.255 -4.311 4.338 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -13.674 -4.121 2.027 1.00 1.01 H new ATOM 0 HD3 ARG A 58 -15.271 -4.605 1.490 1.00 1.01 H new ATOM 0 HE ARG A 58 -14.836 -2.045 2.975 1.00 0.98 H new ATOM 0 HH11 ARG A 58 -15.995 -3.518 -0.070 1.00 3.83 H new ATOM 0 HH12 ARG A 58 -16.797 -2.008 -0.513 1.00 3.83 H new ATOM 0 HH21 ARG A 58 -15.957 -0.328 2.351 1.00 1.59 H new ATOM 0 HH22 ARG A 58 -16.776 -0.300 0.787 1.00 1.59 H new ATOM 742 N ARG A 59 -14.852 -9.189 4.957 1.00 0.91 N ATOM 743 CA ARG A 59 -15.139 -10.627 4.808 1.00 1.00 C ATOM 744 C ARG A 59 -15.837 -11.241 6.026 1.00 1.11 C ATOM 745 O ARG A 59 -16.567 -12.220 5.858 1.00 1.22 O ATOM 746 CB ARG A 59 -13.858 -11.349 4.361 1.00 0.98 C ATOM 747 CG ARG A 59 -14.088 -12.829 4.023 1.00 1.12 C ATOM 748 CD ARG A 59 -12.909 -13.375 3.214 1.00 1.18 C ATOM 749 NE ARG A 59 -12.922 -14.847 3.129 1.00 1.62 N ATOM 750 CZ ARG A 59 -11.878 -15.641 2.974 1.00 2.14 C ATOM 751 NH1 ARG A 59 -10.663 -15.211 2.838 1.00 2.44 N ATOM 752 NH2 ARG A 59 -12.057 -16.923 2.947 1.00 2.69 N ATOM 0 H ARG A 59 -13.867 -8.991 5.133 1.00 0.91 H new ATOM 0 HA ARG A 59 -15.882 -10.763 4.023 1.00 1.00 H new ATOM 0 HB2 ARG A 59 -13.448 -10.842 3.487 1.00 0.98 H new ATOM 0 HB3 ARG A 59 -13.111 -11.275 5.152 1.00 0.98 H new ATOM 0 HG2 ARG A 59 -14.207 -13.405 4.941 1.00 1.12 H new ATOM 0 HG3 ARG A 59 -15.011 -12.941 3.455 1.00 1.12 H new ATOM 0 HD2 ARG A 59 -12.936 -12.955 2.208 1.00 1.18 H new ATOM 0 HD3 ARG A 59 -11.975 -13.048 3.671 1.00 1.18 H new ATOM 0 HE ARG A 59 -13.833 -15.300 3.197 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -10.473 -14.209 2.847 1.00 2.44 H new ATOM 0 HH12 ARG A 59 -9.897 -15.875 2.722 1.00 2.44 H new ATOM 0 HH21 ARG A 59 -12.996 -17.309 3.045 1.00 2.69 H new ATOM 0 HH22 ARG A 59 -11.259 -17.547 2.828 1.00 2.69 H new ATOM 766 N LYS A 60 -15.762 -10.594 7.198 1.00 1.12 N ATOM 767 CA LYS A 60 -16.516 -10.964 8.417 1.00 1.29 C ATOM 768 C LYS A 60 -18.044 -11.037 8.247 1.00 1.46 C ATOM 769 O LYS A 60 -18.688 -11.791 8.972 1.00 1.62 O ATOM 770 CB LYS A 60 -16.138 -10.014 9.568 1.00 1.37 C ATOM 771 CG LYS A 60 -16.731 -8.604 9.415 1.00 1.40 C ATOM 772 CD LYS A 60 -16.177 -7.656 10.478 1.00 1.53 C ATOM 773 CE LYS A 60 -16.799 -6.268 10.310 1.00 1.56 C ATOM 774 NZ LYS A 60 -16.198 -5.285 11.235 1.00 1.95 N ATOM 0 H LYS A 60 -15.163 -9.779 7.334 1.00 1.12 H new ATOM 0 HA LYS A 60 -16.219 -11.987 8.649 1.00 1.29 H new ATOM 0 HB2 LYS A 60 -16.479 -10.443 10.510 1.00 1.37 H new ATOM 0 HB3 LYS A 60 -15.052 -9.939 9.626 1.00 1.37 H new ATOM 0 HG2 LYS A 60 -16.503 -8.216 8.422 1.00 1.40 H new ATOM 0 HG3 LYS A 60 -17.817 -8.652 9.496 1.00 1.40 H new ATOM 0 HD2 LYS A 60 -16.394 -8.044 11.473 1.00 1.53 H new ATOM 0 HD3 LYS A 60 -15.092 -7.591 10.391 1.00 1.53 H new ATOM 0 HE2 LYS A 60 -16.664 -5.931 9.282 1.00 1.56 H new ATOM 0 HE3 LYS A 60 -17.873 -6.326 10.488 1.00 1.56 H new ATOM 0 HZ1 LYS A 60 -16.644 -4.356 11.093 1.00 1.95 H new ATOM 0 HZ2 LYS A 60 -16.349 -5.595 12.216 1.00 1.95 H new ATOM 0 HZ3 LYS A 60 -15.178 -5.211 11.048 1.00 1.95 H new ATOM 788 N ASN A 61 -18.630 -10.283 7.304 1.00 1.47 N ATOM 789 CA ASN A 61 -20.053 -10.380 6.949 1.00 1.65 C ATOM 790 C ASN A 61 -20.309 -11.133 5.623 1.00 1.52 C ATOM 791 O ASN A 61 -21.447 -11.502 5.346 1.00 1.59 O ATOM 792 CB ASN A 61 -20.684 -8.980 6.967 1.00 1.99 C ATOM 793 CG ASN A 61 -20.926 -8.477 8.382 1.00 2.34 C ATOM 794 OD1 ASN A 61 -21.808 -8.946 9.093 1.00 2.57 O ATOM 795 ND2 ASN A 61 -20.132 -7.537 8.826 1.00 2.49 N ATOM 0 H ASN A 61 -18.124 -9.583 6.762 1.00 1.47 H new ATOM 0 HA ASN A 61 -20.543 -10.994 7.705 1.00 1.65 H new ATOM 0 HB2 ASN A 61 -20.031 -8.282 6.442 1.00 1.99 H new ATOM 0 HB3 ASN A 61 -21.629 -9.002 6.425 1.00 1.99 H new ATOM 0 HD21 ASN A 61 -20.242 -7.184 9.777 1.00 2.49 H new ATOM 0 HD22 ASN A 61 -19.403 -7.157 8.222 1.00 2.49 H new ATOM 802 N GLY A 62 -19.280 -11.388 4.805 1.00 1.39 N ATOM 803 CA GLY A 62 -19.328 -12.351 3.688 1.00 1.36 C ATOM 804 C GLY A 62 -20.124 -11.930 2.439 1.00 1.50 C ATOM 805 O GLY A 62 -20.375 -12.747 1.553 1.00 1.54 O ATOM 0 H GLY A 62 -18.375 -10.926 4.899 1.00 1.39 H new ATOM 0 HA2 GLY A 62 -18.304 -12.566 3.381 1.00 1.36 H new ATOM 0 HA3 GLY A 62 -19.751 -13.283 4.062 1.00 1.36 H new ATOM 809 N VAL A 63 -20.571 -10.676 2.372 1.00 1.65 N ATOM 810 CA VAL A 63 -21.790 -10.273 1.632 1.00 1.93 C ATOM 811 C VAL A 63 -21.554 -9.356 0.417 1.00 1.91 C ATOM 812 O VAL A 63 -22.429 -9.239 -0.447 1.00 2.39 O ATOM 813 CB VAL A 63 -22.784 -9.665 2.652 1.00 2.15 C ATOM 814 CG1 VAL A 63 -22.233 -8.405 3.339 1.00 2.05 C ATOM 815 CG2 VAL A 63 -24.164 -9.357 2.066 1.00 2.53 C ATOM 0 H VAL A 63 -20.100 -9.896 2.831 1.00 1.65 H new ATOM 0 HA VAL A 63 -22.207 -11.168 1.170 1.00 1.93 H new ATOM 0 HB VAL A 63 -22.908 -10.452 3.396 1.00 2.15 H new ATOM 0 HG11 VAL A 63 -22.972 -8.022 4.043 1.00 2.05 H new ATOM 0 HG12 VAL A 63 -21.316 -8.654 3.874 1.00 2.05 H new ATOM 0 HG13 VAL A 63 -22.020 -7.645 2.588 1.00 2.05 H new ATOM 0 HG21 VAL A 63 -24.803 -8.934 2.842 1.00 2.53 H new ATOM 0 HG22 VAL A 63 -24.061 -8.641 1.250 1.00 2.53 H new ATOM 0 HG23 VAL A 63 -24.612 -10.276 1.688 1.00 2.53 H new ATOM 825 N LYS A 64 -20.380 -8.720 0.336 1.00 1.53 N ATOM 826 CA LYS A 64 -20.054 -7.574 -0.536 1.00 1.60 C ATOM 827 C LYS A 64 -18.721 -7.752 -1.283 1.00 1.52 C ATOM 828 O LYS A 64 -17.980 -8.682 -0.952 1.00 1.38 O ATOM 829 CB LYS A 64 -20.032 -6.323 0.367 1.00 1.69 C ATOM 830 CG LYS A 64 -18.897 -6.309 1.412 1.00 1.51 C ATOM 831 CD LYS A 64 -18.547 -4.883 1.844 1.00 1.68 C ATOM 832 CE LYS A 64 -19.732 -4.177 2.526 1.00 2.21 C ATOM 833 NZ LYS A 64 -19.416 -2.784 2.927 1.00 2.32 N ATOM 0 H LYS A 64 -19.584 -9.003 0.907 1.00 1.53 H new ATOM 0 HA LYS A 64 -20.805 -7.482 -1.321 1.00 1.60 H new ATOM 0 HB2 LYS A 64 -19.941 -5.438 -0.262 1.00 1.69 H new ATOM 0 HB3 LYS A 64 -20.988 -6.248 0.886 1.00 1.69 H new ATOM 0 HG2 LYS A 64 -19.197 -6.891 2.284 1.00 1.51 H new ATOM 0 HG3 LYS A 64 -18.012 -6.791 0.996 1.00 1.51 H new ATOM 0 HD2 LYS A 64 -17.699 -4.910 2.528 1.00 1.68 H new ATOM 0 HD3 LYS A 64 -18.235 -4.307 0.973 1.00 1.68 H new ATOM 0 HE2 LYS A 64 -20.585 -4.171 1.847 1.00 2.21 H new ATOM 0 HE3 LYS A 64 -20.030 -4.745 3.407 1.00 2.21 H new ATOM 0 HZ1 LYS A 64 -20.248 -2.356 3.381 1.00 2.32 H new ATOM 0 HZ2 LYS A 64 -18.620 -2.788 3.596 1.00 2.32 H new ATOM 0 HZ3 LYS A 64 -19.158 -2.230 2.085 1.00 2.32 H new ATOM 847 N PRO A 65 -18.346 -6.854 -2.218 1.00 1.67 N ATOM 848 CA PRO A 65 -16.952 -6.731 -2.640 1.00 1.61 C ATOM 849 C PRO A 65 -16.041 -6.351 -1.458 1.00 1.42 C ATOM 850 O PRO A 65 -16.078 -5.238 -0.923 1.00 1.44 O ATOM 851 CB PRO A 65 -16.956 -5.688 -3.760 1.00 1.84 C ATOM 852 CG PRO A 65 -18.183 -4.833 -3.464 1.00 1.98 C ATOM 853 CD PRO A 65 -19.164 -5.869 -2.923 1.00 1.88 C ATOM 0 HA PRO A 65 -16.544 -7.675 -3.003 1.00 1.61 H new ATOM 0 HB2 PRO A 65 -16.043 -5.092 -3.754 1.00 1.84 H new ATOM 0 HB3 PRO A 65 -17.024 -6.157 -4.742 1.00 1.84 H new ATOM 0 HG2 PRO A 65 -17.970 -4.052 -2.734 1.00 1.98 H new ATOM 0 HG3 PRO A 65 -18.562 -4.339 -4.359 1.00 1.98 H new ATOM 0 HD2 PRO A 65 -19.889 -5.409 -2.252 1.00 1.88 H new ATOM 0 HD3 PRO A 65 -19.728 -6.334 -3.731 1.00 1.88 H new ATOM 861 N PHE A 66 -15.236 -7.319 -1.026 1.00 1.31 N ATOM 862 CA PHE A 66 -14.232 -7.187 0.028 1.00 1.05 C ATOM 863 C PHE A 66 -13.070 -6.286 -0.390 1.00 0.90 C ATOM 864 O PHE A 66 -12.667 -5.418 0.375 1.00 0.86 O ATOM 865 CB PHE A 66 -13.691 -8.568 0.412 1.00 1.00 C ATOM 866 CG PHE A 66 -14.707 -9.652 0.722 1.00 1.10 C ATOM 867 CD1 PHE A 66 -15.908 -9.360 1.395 1.00 2.32 C ATOM 868 CD2 PHE A 66 -14.433 -10.978 0.334 1.00 1.70 C ATOM 869 CE1 PHE A 66 -16.835 -10.379 1.667 1.00 2.44 C ATOM 870 CE2 PHE A 66 -15.353 -12.003 0.620 1.00 1.72 C ATOM 871 CZ PHE A 66 -16.554 -11.702 1.285 1.00 1.34 C ATOM 0 H PHE A 66 -15.267 -8.260 -1.419 1.00 1.31 H new ATOM 0 HA PHE A 66 -14.723 -6.724 0.884 1.00 1.05 H new ATOM 0 HB2 PHE A 66 -13.059 -8.921 -0.403 1.00 1.00 H new ATOM 0 HB3 PHE A 66 -13.049 -8.448 1.285 1.00 1.00 H new ATOM 0 HD1 PHE A 66 -16.118 -8.347 1.704 1.00 2.32 H new ATOM 0 HD2 PHE A 66 -13.514 -11.208 -0.185 1.00 1.70 H new ATOM 0 HE1 PHE A 66 -17.763 -10.146 2.169 1.00 2.44 H new ATOM 0 HE2 PHE A 66 -15.137 -13.020 0.329 1.00 1.72 H new ATOM 0 HZ PHE A 66 -17.262 -12.488 1.503 1.00 1.34 H new ATOM 881 N MET A 67 -12.567 -6.458 -1.612 1.00 0.95 N ATOM 882 CA MET A 67 -11.738 -5.464 -2.300 1.00 0.92 C ATOM 883 C MET A 67 -12.592 -4.222 -2.638 1.00 0.93 C ATOM 884 O MET A 67 -13.475 -4.309 -3.500 1.00 1.02 O ATOM 885 CB MET A 67 -11.127 -6.071 -3.572 1.00 1.10 C ATOM 886 CG MET A 67 -9.859 -6.873 -3.273 1.00 1.11 C ATOM 887 SD MET A 67 -8.453 -5.879 -2.697 1.00 1.03 S ATOM 888 CE MET A 67 -7.259 -7.220 -2.450 1.00 1.15 C ATOM 0 H MET A 67 -12.725 -7.303 -2.161 1.00 0.95 H new ATOM 0 HA MET A 67 -10.921 -5.159 -1.646 1.00 0.92 H new ATOM 0 HB2 MET A 67 -11.860 -6.718 -4.053 1.00 1.10 H new ATOM 0 HB3 MET A 67 -10.894 -5.274 -4.278 1.00 1.10 H new ATOM 0 HG2 MET A 67 -10.090 -7.624 -2.517 1.00 1.11 H new ATOM 0 HG3 MET A 67 -9.563 -7.409 -4.175 1.00 1.11 H new ATOM 0 HE1 MET A 67 -6.508 -6.909 -1.724 1.00 1.15 H new ATOM 0 HE2 MET A 67 -7.777 -8.105 -2.080 1.00 1.15 H new ATOM 0 HE3 MET A 67 -6.773 -7.454 -3.397 1.00 1.15 H new ATOM 898 N PRO A 68 -12.368 -3.065 -1.983 1.00 0.86 N ATOM 899 CA PRO A 68 -13.207 -1.878 -2.146 1.00 0.80 C ATOM 900 C PRO A 68 -13.039 -1.222 -3.523 1.00 0.85 C ATOM 901 O PRO A 68 -11.943 -1.181 -4.086 1.00 0.95 O ATOM 902 CB PRO A 68 -12.802 -0.934 -1.008 1.00 0.74 C ATOM 903 CG PRO A 68 -11.353 -1.321 -0.729 1.00 0.76 C ATOM 904 CD PRO A 68 -11.323 -2.817 -0.999 1.00 0.80 C ATOM 0 HA PRO A 68 -14.265 -2.137 -2.097 1.00 0.80 H new ATOM 0 HB2 PRO A 68 -12.889 0.112 -1.303 1.00 0.74 H new ATOM 0 HB3 PRO A 68 -13.431 -1.071 -0.129 1.00 0.74 H new ATOM 0 HG2 PRO A 68 -10.662 -0.783 -1.378 1.00 0.76 H new ATOM 0 HG3 PRO A 68 -11.068 -1.093 0.298 1.00 0.76 H new ATOM 0 HD2 PRO A 68 -10.349 -3.126 -1.377 1.00 0.80 H new ATOM 0 HD3 PRO A 68 -11.504 -3.383 -0.085 1.00 0.80 H new ATOM 912 N THR A 69 -14.127 -0.660 -4.048 1.00 0.87 N ATOM 913 CA THR A 69 -14.165 0.098 -5.308 1.00 0.97 C ATOM 914 C THR A 69 -13.620 1.517 -5.135 1.00 0.98 C ATOM 915 O THR A 69 -13.404 1.976 -4.016 1.00 0.89 O ATOM 916 CB THR A 69 -15.591 0.124 -5.879 1.00 1.05 C ATOM 917 OG1 THR A 69 -16.467 0.757 -4.977 1.00 1.07 O ATOM 918 CG2 THR A 69 -16.164 -1.270 -6.131 1.00 1.11 C ATOM 0 H THR A 69 -15.040 -0.719 -3.596 1.00 0.87 H new ATOM 0 HA THR A 69 -13.516 -0.412 -6.019 1.00 0.97 H new ATOM 0 HB THR A 69 -15.514 0.659 -6.825 1.00 1.05 H new ATOM 0 HG1 THR A 69 -16.811 0.098 -4.338 1.00 1.07 H new ATOM 0 HG21 THR A 69 -17.173 -1.181 -6.534 1.00 1.11 H new ATOM 0 HG22 THR A 69 -15.533 -1.799 -6.845 1.00 1.11 H new ATOM 0 HG23 THR A 69 -16.195 -1.825 -5.194 1.00 1.11 H new ATOM 926 N ALA A 70 -13.373 2.230 -6.229 1.00 1.12 N ATOM 927 CA ALA A 70 -12.634 3.497 -6.235 1.00 1.21 C ATOM 928 C ALA A 70 -13.182 4.561 -5.261 1.00 1.21 C ATOM 929 O ALA A 70 -12.414 5.138 -4.486 1.00 1.22 O ATOM 930 CB ALA A 70 -12.584 4.029 -7.673 1.00 1.39 C ATOM 0 H ALA A 70 -13.685 1.942 -7.156 1.00 1.12 H new ATOM 0 HA ALA A 70 -11.629 3.287 -5.868 1.00 1.21 H new ATOM 0 HB1 ALA A 70 -12.037 4.972 -7.693 1.00 1.39 H new ATOM 0 HB2 ALA A 70 -12.081 3.304 -8.312 1.00 1.39 H new ATOM 0 HB3 ALA A 70 -13.599 4.190 -8.037 1.00 1.39 H new ATOM 936 N ALA A 71 -14.500 4.785 -5.230 1.00 1.25 N ATOM 937 CA ALA A 71 -15.113 5.748 -4.307 1.00 1.33 C ATOM 938 C ALA A 71 -15.126 5.262 -2.839 1.00 1.15 C ATOM 939 O ALA A 71 -15.191 6.066 -1.903 1.00 1.11 O ATOM 940 CB ALA A 71 -16.529 6.048 -4.801 1.00 1.52 C ATOM 0 H ALA A 71 -15.167 4.309 -5.838 1.00 1.25 H new ATOM 0 HA ALA A 71 -14.508 6.655 -4.304 1.00 1.33 H new ATOM 0 HB1 ALA A 71 -17.005 6.763 -4.129 1.00 1.52 H new ATOM 0 HB2 ALA A 71 -16.482 6.469 -5.805 1.00 1.52 H new ATOM 0 HB3 ALA A 71 -17.110 5.126 -4.821 1.00 1.52 H new ATOM 946 N GLU A 72 -15.065 3.945 -2.620 1.00 1.04 N ATOM 947 CA GLU A 72 -14.904 3.335 -1.308 1.00 0.91 C ATOM 948 C GLU A 72 -13.467 3.534 -0.836 1.00 0.79 C ATOM 949 O GLU A 72 -13.263 4.078 0.243 1.00 0.76 O ATOM 950 CB GLU A 72 -15.299 1.856 -1.327 1.00 0.87 C ATOM 951 CG GLU A 72 -16.754 1.677 -1.755 1.00 1.11 C ATOM 952 CD GLU A 72 -17.120 0.196 -1.740 1.00 1.53 C ATOM 953 OE1 GLU A 72 -16.736 -0.522 -2.692 1.00 2.20 O ATOM 954 OE2 GLU A 72 -17.770 -0.257 -0.767 1.00 2.07 O ATOM 0 H GLU A 72 -15.128 3.261 -3.374 1.00 1.04 H new ATOM 0 HA GLU A 72 -15.575 3.823 -0.601 1.00 0.91 H new ATOM 0 HB2 GLU A 72 -14.647 1.312 -2.010 1.00 0.87 H new ATOM 0 HB3 GLU A 72 -15.153 1.425 -0.336 1.00 0.87 H new ATOM 0 HG2 GLU A 72 -17.411 2.230 -1.083 1.00 1.11 H new ATOM 0 HG3 GLU A 72 -16.902 2.087 -2.754 1.00 1.11 H new ATOM 961 N ARG A 73 -12.469 3.215 -1.676 1.00 0.78 N ATOM 962 CA ARG A 73 -11.059 3.538 -1.399 1.00 0.75 C ATOM 963 C ARG A 73 -10.883 5.015 -1.052 1.00 0.79 C ATOM 964 O ARG A 73 -10.153 5.324 -0.119 1.00 0.74 O ATOM 965 CB ARG A 73 -10.143 3.166 -2.578 1.00 0.87 C ATOM 966 CG ARG A 73 -10.070 1.653 -2.816 1.00 1.45 C ATOM 967 CD ARG A 73 -9.112 1.292 -3.957 1.00 1.68 C ATOM 968 NE ARG A 73 -7.698 1.329 -3.538 1.00 2.21 N ATOM 969 CZ ARG A 73 -6.800 2.279 -3.727 1.00 2.53 C ATOM 970 NH1 ARG A 73 -7.019 3.373 -4.404 1.00 3.10 N ATOM 971 NH2 ARG A 73 -5.626 2.116 -3.193 1.00 3.60 N ATOM 0 H ARG A 73 -12.615 2.729 -2.561 1.00 0.78 H new ATOM 0 HA ARG A 73 -10.766 2.938 -0.537 1.00 0.75 H new ATOM 0 HB2 ARG A 73 -10.505 3.655 -3.482 1.00 0.87 H new ATOM 0 HB3 ARG A 73 -9.140 3.549 -2.388 1.00 0.87 H new ATOM 0 HG2 ARG A 73 -9.745 1.158 -1.901 1.00 1.45 H new ATOM 0 HG3 ARG A 73 -11.066 1.275 -3.047 1.00 1.45 H new ATOM 0 HD2 ARG A 73 -9.352 0.295 -4.328 1.00 1.68 H new ATOM 0 HD3 ARG A 73 -9.261 1.985 -4.785 1.00 1.68 H new ATOM 0 HE ARG A 73 -7.368 0.507 -3.032 1.00 2.21 H new ATOM 0 HH11 ARG A 73 -7.932 3.536 -4.828 1.00 3.10 H new ATOM 0 HH12 ARG A 73 -6.277 4.065 -4.509 1.00 3.10 H new ATOM 0 HH21 ARG A 73 -5.425 1.276 -2.650 1.00 3.60 H new ATOM 0 HH22 ARG A 73 -4.906 2.828 -3.317 1.00 3.60 H new ATOM 985 N ASP A 74 -11.601 5.903 -1.741 1.00 0.90 N ATOM 986 CA ASP A 74 -11.622 7.335 -1.444 1.00 0.97 C ATOM 987 C ASP A 74 -12.196 7.642 -0.044 1.00 0.92 C ATOM 988 O ASP A 74 -11.494 8.250 0.765 1.00 0.91 O ATOM 989 CB ASP A 74 -12.373 8.063 -2.565 1.00 1.14 C ATOM 990 CG ASP A 74 -12.171 9.576 -2.506 1.00 1.42 C ATOM 991 OD1 ASP A 74 -11.069 10.043 -2.881 1.00 2.88 O ATOM 992 OD2 ASP A 74 -13.127 10.292 -2.128 1.00 1.58 O ATOM 0 H ASP A 74 -12.192 5.644 -2.531 1.00 0.90 H new ATOM 0 HA ASP A 74 -10.597 7.704 -1.411 1.00 0.97 H new ATOM 0 HB2 ASP A 74 -12.032 7.690 -3.531 1.00 1.14 H new ATOM 0 HB3 ASP A 74 -13.437 7.837 -2.494 1.00 1.14 H new ATOM 997 N GLU A 75 -13.410 7.183 0.305 1.00 0.93 N ATOM 998 CA GLU A 75 -13.960 7.445 1.652 1.00 0.94 C ATOM 999 C GLU A 75 -13.156 6.777 2.787 1.00 0.82 C ATOM 1000 O GLU A 75 -13.146 7.275 3.916 1.00 0.83 O ATOM 1001 CB GLU A 75 -15.455 7.085 1.746 1.00 1.02 C ATOM 1002 CG GLU A 75 -15.773 5.584 1.758 1.00 0.97 C ATOM 1003 CD GLU A 75 -17.263 5.312 1.989 1.00 1.15 C ATOM 1004 OE1 GLU A 75 -18.043 5.291 1.006 1.00 2.21 O ATOM 1005 OE2 GLU A 75 -17.697 5.181 3.159 1.00 1.92 O ATOM 0 H GLU A 75 -14.019 6.641 -0.308 1.00 0.93 H new ATOM 0 HA GLU A 75 -13.861 8.521 1.798 1.00 0.94 H new ATOM 0 HB2 GLU A 75 -15.862 7.532 2.653 1.00 1.02 H new ATOM 0 HB3 GLU A 75 -15.975 7.542 0.904 1.00 1.02 H new ATOM 0 HG2 GLU A 75 -15.467 5.142 0.810 1.00 0.97 H new ATOM 0 HG3 GLU A 75 -15.191 5.097 2.540 1.00 0.97 H new ATOM 1012 N ILE A 76 -12.469 5.668 2.499 1.00 0.72 N ATOM 1013 CA ILE A 76 -11.627 4.912 3.437 1.00 0.61 C ATOM 1014 C ILE A 76 -10.302 5.650 3.675 1.00 0.60 C ATOM 1015 O ILE A 76 -9.959 5.947 4.816 1.00 0.61 O ATOM 1016 CB ILE A 76 -11.437 3.469 2.912 1.00 0.53 C ATOM 1017 CG1 ILE A 76 -12.778 2.693 2.956 1.00 0.59 C ATOM 1018 CG2 ILE A 76 -10.368 2.718 3.721 1.00 0.47 C ATOM 1019 CD1 ILE A 76 -12.848 1.509 1.980 1.00 0.58 C ATOM 0 H ILE A 76 -12.483 5.253 1.567 1.00 0.72 H new ATOM 0 HA ILE A 76 -12.115 4.838 4.409 1.00 0.61 H new ATOM 0 HB ILE A 76 -11.099 3.535 1.878 1.00 0.53 H new ATOM 0 HG12 ILE A 76 -12.940 2.325 3.969 1.00 0.59 H new ATOM 0 HG13 ILE A 76 -13.592 3.383 2.733 1.00 0.59 H new ATOM 0 HG21 ILE A 76 -10.258 1.707 3.328 1.00 0.47 H new ATOM 0 HG22 ILE A 76 -9.416 3.244 3.643 1.00 0.47 H new ATOM 0 HG23 ILE A 76 -10.671 2.669 4.767 1.00 0.47 H new ATOM 0 HD11 ILE A 76 -13.817 1.018 2.072 1.00 0.58 H new ATOM 0 HD12 ILE A 76 -12.720 1.870 0.960 1.00 0.58 H new ATOM 0 HD13 ILE A 76 -12.057 0.797 2.215 1.00 0.58 H new ATOM 1031 N LEU A 77 -9.593 6.050 2.614 1.00 0.66 N ATOM 1032 CA LEU A 77 -8.386 6.884 2.716 1.00 0.73 C ATOM 1033 C LEU A 77 -8.663 8.230 3.388 1.00 0.81 C ATOM 1034 O LEU A 77 -7.808 8.775 4.089 1.00 0.87 O ATOM 1035 CB LEU A 77 -7.836 7.146 1.312 1.00 0.81 C ATOM 1036 CG LEU A 77 -7.094 5.944 0.712 1.00 0.80 C ATOM 1037 CD1 LEU A 77 -6.803 6.245 -0.751 1.00 0.91 C ATOM 1038 CD2 LEU A 77 -5.779 5.656 1.440 1.00 0.90 C ATOM 0 H LEU A 77 -9.840 5.804 1.655 1.00 0.66 H new ATOM 0 HA LEU A 77 -7.666 6.342 3.329 1.00 0.73 H new ATOM 0 HB2 LEU A 77 -8.660 7.421 0.653 1.00 0.81 H new ATOM 0 HB3 LEU A 77 -7.159 8.000 1.349 1.00 0.81 H new ATOM 0 HG LEU A 77 -7.725 5.062 0.817 1.00 0.80 H new ATOM 0 HD11 LEU A 77 -6.275 5.402 -1.198 1.00 0.91 H new ATOM 0 HD12 LEU A 77 -7.741 6.409 -1.282 1.00 0.91 H new ATOM 0 HD13 LEU A 77 -6.185 7.140 -0.822 1.00 0.91 H new ATOM 0 HD21 LEU A 77 -5.289 4.797 0.981 1.00 0.90 H new ATOM 0 HD22 LEU A 77 -5.126 6.526 1.370 1.00 0.90 H new ATOM 0 HD23 LEU A 77 -5.984 5.439 2.488 1.00 0.90 H new ATOM 1050 N ARG A 78 -9.866 8.769 3.197 1.00 0.86 N ATOM 1051 CA ARG A 78 -10.331 9.998 3.850 1.00 0.99 C ATOM 1052 C ARG A 78 -10.755 9.760 5.305 1.00 0.92 C ATOM 1053 O ARG A 78 -10.539 10.641 6.141 1.00 1.00 O ATOM 1054 CB ARG A 78 -11.409 10.653 2.970 1.00 1.24 C ATOM 1055 CG ARG A 78 -10.761 11.228 1.692 1.00 1.52 C ATOM 1056 CD ARG A 78 -11.779 11.567 0.602 1.00 1.85 C ATOM 1057 NE ARG A 78 -12.640 12.702 0.967 1.00 2.16 N ATOM 1058 CZ ARG A 78 -13.636 13.156 0.234 1.00 2.75 C ATOM 1059 NH1 ARG A 78 -13.954 12.643 -0.916 1.00 3.30 N ATOM 1060 NH2 ARG A 78 -14.371 14.145 0.636 1.00 3.94 N ATOM 0 H ARG A 78 -10.560 8.358 2.573 1.00 0.86 H new ATOM 0 HA ARG A 78 -9.506 10.706 3.936 1.00 0.99 H new ATOM 0 HB2 ARG A 78 -12.170 9.919 2.705 1.00 1.24 H new ATOM 0 HB3 ARG A 78 -11.911 11.447 3.523 1.00 1.24 H new ATOM 0 HG2 ARG A 78 -10.200 12.127 1.949 1.00 1.52 H new ATOM 0 HG3 ARG A 78 -10.044 10.507 1.299 1.00 1.52 H new ATOM 0 HD2 ARG A 78 -11.252 11.798 -0.323 1.00 1.85 H new ATOM 0 HD3 ARG A 78 -12.400 10.693 0.405 1.00 1.85 H new ATOM 0 HE ARG A 78 -12.452 13.172 1.853 1.00 2.16 H new ATOM 0 HH11 ARG A 78 -13.424 11.855 -1.287 1.00 3.30 H new ATOM 0 HH12 ARG A 78 -14.734 13.029 -1.448 1.00 3.30 H new ATOM 0 HH21 ARG A 78 -14.183 14.587 1.536 1.00 3.94 H new ATOM 0 HH22 ARG A 78 -15.137 14.481 0.053 1.00 3.94 H new ATOM 1074 N ALA A 79 -11.246 8.566 5.643 1.00 0.84 N ATOM 1075 CA ALA A 79 -11.508 8.162 7.031 1.00 0.87 C ATOM 1076 C ALA A 79 -10.220 7.940 7.847 1.00 0.82 C ATOM 1077 O ALA A 79 -10.184 8.281 9.035 1.00 0.99 O ATOM 1078 CB ALA A 79 -12.394 6.911 7.049 1.00 0.87 C ATOM 0 H ALA A 79 -11.475 7.845 4.959 1.00 0.84 H new ATOM 0 HA ALA A 79 -12.032 8.985 7.516 1.00 0.87 H new ATOM 0 HB1 ALA A 79 -12.585 6.615 8.081 1.00 0.87 H new ATOM 0 HB2 ALA A 79 -13.340 7.128 6.552 1.00 0.87 H new ATOM 0 HB3 ALA A 79 -11.888 6.099 6.527 1.00 0.87 H new ATOM 1084 N VAL A 80 -9.145 7.445 7.216 1.00 0.69 N ATOM 1085 CA VAL A 80 -7.787 7.466 7.788 1.00 0.71 C ATOM 1086 C VAL A 80 -7.307 8.917 7.850 1.00 0.78 C ATOM 1087 O VAL A 80 -6.803 9.370 8.875 1.00 0.85 O ATOM 1088 CB VAL A 80 -6.818 6.597 6.956 1.00 0.70 C ATOM 1089 CG1 VAL A 80 -5.403 6.614 7.540 1.00 0.79 C ATOM 1090 CG2 VAL A 80 -7.251 5.126 6.906 1.00 0.72 C ATOM 0 H VAL A 80 -9.191 7.017 6.291 1.00 0.69 H new ATOM 0 HA VAL A 80 -7.809 7.044 8.793 1.00 0.71 H new ATOM 0 HB VAL A 80 -6.835 7.031 5.956 1.00 0.70 H new ATOM 0 HG11 VAL A 80 -4.749 5.992 6.928 1.00 0.79 H new ATOM 0 HG12 VAL A 80 -5.026 7.637 7.550 1.00 0.79 H new ATOM 0 HG13 VAL A 80 -5.425 6.226 8.558 1.00 0.79 H new ATOM 0 HG21 VAL A 80 -6.538 4.557 6.310 1.00 0.72 H new ATOM 0 HG22 VAL A 80 -7.283 4.721 7.918 1.00 0.72 H new ATOM 0 HG23 VAL A 80 -8.241 5.053 6.455 1.00 0.72 H new ATOM 1100 N GLY A 81 -7.526 9.663 6.763 1.00 0.83 N ATOM 1101 CA GLY A 81 -7.165 11.070 6.599 1.00 0.97 C ATOM 1102 C GLY A 81 -5.715 11.298 6.165 1.00 1.04 C ATOM 1103 O GLY A 81 -5.261 12.436 6.035 1.00 1.20 O ATOM 0 H GLY A 81 -7.982 9.281 5.934 1.00 0.83 H new ATOM 0 HA2 GLY A 81 -7.829 11.520 5.861 1.00 0.97 H new ATOM 0 HA3 GLY A 81 -7.337 11.590 7.541 1.00 0.97 H new ATOM 1107 N ASN A 82 -4.995 10.206 5.927 1.00 0.97 N ATOM 1108 CA ASN A 82 -3.605 10.171 5.495 1.00 1.03 C ATOM 1109 C ASN A 82 -3.337 8.842 4.769 1.00 1.01 C ATOM 1110 O ASN A 82 -4.103 7.887 4.903 1.00 1.04 O ATOM 1111 CB ASN A 82 -2.712 10.367 6.739 1.00 1.03 C ATOM 1112 CG ASN A 82 -1.232 10.322 6.418 1.00 1.25 C ATOM 1113 OD1 ASN A 82 -0.496 9.464 6.887 1.00 2.42 O ATOM 1114 ND2 ASN A 82 -0.759 11.213 5.581 1.00 2.34 N ATOM 0 H ASN A 82 -5.389 9.272 6.037 1.00 0.97 H new ATOM 0 HA ASN A 82 -3.379 10.970 4.789 1.00 1.03 H new ATOM 0 HB2 ASN A 82 -2.949 11.325 7.202 1.00 1.03 H new ATOM 0 HB3 ASN A 82 -2.943 9.593 7.471 1.00 1.03 H new ATOM 0 HD21 ASN A 82 0.226 11.193 5.318 1.00 2.34 H new ATOM 0 HD22 ASN A 82 -1.376 11.926 5.193 1.00 2.34 H new ATOM 1121 N MET A 83 -2.240 8.763 4.020 1.00 1.11 N ATOM 1122 CA MET A 83 -1.809 7.565 3.322 1.00 1.10 C ATOM 1123 C MET A 83 -1.478 6.468 4.356 1.00 1.04 C ATOM 1124 O MET A 83 -0.560 6.661 5.164 1.00 1.21 O ATOM 1125 CB MET A 83 -0.593 7.959 2.465 1.00 1.29 C ATOM 1126 CG MET A 83 -0.178 6.912 1.433 1.00 1.33 C ATOM 1127 SD MET A 83 -0.798 7.196 -0.251 1.00 1.48 S ATOM 1128 CE MET A 83 -2.534 6.720 -0.070 1.00 1.26 C ATOM 0 H MET A 83 -1.612 9.555 3.881 1.00 1.11 H new ATOM 0 HA MET A 83 -2.584 7.159 2.672 1.00 1.10 H new ATOM 0 HB2 MET A 83 -0.816 8.892 1.947 1.00 1.29 H new ATOM 0 HB3 MET A 83 0.252 8.155 3.125 1.00 1.29 H new ATOM 0 HG2 MET A 83 0.911 6.870 1.400 1.00 1.33 H new ATOM 0 HG3 MET A 83 -0.525 5.935 1.771 1.00 1.33 H new ATOM 0 HE1 MET A 83 -2.993 6.635 -1.055 1.00 1.26 H new ATOM 0 HE2 MET A 83 -2.597 5.760 0.443 1.00 1.26 H new ATOM 0 HE3 MET A 83 -3.060 7.477 0.511 1.00 1.26 H new ATOM 1138 N PRO A 84 -2.154 5.300 4.342 1.00 0.92 N ATOM 1139 CA PRO A 84 -1.928 4.233 5.320 1.00 0.90 C ATOM 1140 C PRO A 84 -0.608 3.489 5.087 1.00 1.06 C ATOM 1141 O PRO A 84 -0.260 2.567 5.832 1.00 1.13 O ATOM 1142 CB PRO A 84 -3.144 3.313 5.193 1.00 0.85 C ATOM 1143 CG PRO A 84 -3.592 3.464 3.739 1.00 0.88 C ATOM 1144 CD PRO A 84 -3.191 4.903 3.403 1.00 0.91 C ATOM 0 HA PRO A 84 -1.830 4.633 6.329 1.00 0.90 H new ATOM 0 HB2 PRO A 84 -2.885 2.279 5.423 1.00 0.85 H new ATOM 0 HB3 PRO A 84 -3.935 3.604 5.884 1.00 0.85 H new ATOM 0 HG2 PRO A 84 -3.097 2.744 3.087 1.00 0.88 H new ATOM 0 HG3 PRO A 84 -4.665 3.308 3.629 1.00 0.88 H new ATOM 0 HD2 PRO A 84 -2.826 4.970 2.378 1.00 0.91 H new ATOM 0 HD3 PRO A 84 -4.051 5.568 3.479 1.00 0.91 H new ATOM 1152 N TYR A 85 0.118 3.899 4.043 1.00 1.17 N ATOM 1153 CA TYR A 85 1.398 3.346 3.615 1.00 1.36 C ATOM 1154 C TYR A 85 2.522 3.947 4.456 1.00 1.51 C ATOM 1155 O TYR A 85 3.202 3.176 5.166 1.00 2.68 O ATOM 1156 CB TYR A 85 1.567 3.577 2.103 1.00 1.35 C ATOM 1157 CG TYR A 85 0.358 3.276 1.218 1.00 1.43 C ATOM 1158 CD1 TYR A 85 -0.625 2.331 1.592 1.00 2.51 C ATOM 1159 CD2 TYR A 85 0.203 3.983 0.008 1.00 1.95 C ATOM 1160 CE1 TYR A 85 -1.768 2.143 0.793 1.00 2.93 C ATOM 1161 CE2 TYR A 85 -0.925 3.773 -0.809 1.00 2.07 C ATOM 1162 CZ TYR A 85 -1.915 2.856 -0.413 1.00 2.20 C ATOM 1163 OH TYR A 85 -3.027 2.669 -1.168 1.00 2.70 O ATOM 0 H TYR A 85 -0.191 4.666 3.445 1.00 1.17 H new ATOM 0 HA TYR A 85 1.435 2.269 3.777 1.00 1.36 H new ATOM 0 HB2 TYR A 85 1.850 4.618 1.948 1.00 1.35 H new ATOM 0 HB3 TYR A 85 2.401 2.966 1.758 1.00 1.35 H new ATOM 0 HD1 TYR A 85 -0.498 1.751 2.494 1.00 2.51 H new ATOM 0 HD2 TYR A 85 0.958 4.693 -0.296 1.00 1.95 H new ATOM 0 HE1 TYR A 85 -2.535 1.450 1.105 1.00 2.93 H new ATOM 0 HE2 TYR A 85 -1.029 4.315 -1.737 1.00 2.07 H new ATOM 0 HH TYR A 85 -2.978 3.234 -1.967 1.00 2.70 H new TER 1173 TYR A 85