USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 530 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 5 HIS : no HD1:sc= -1.09 K(o=-2.9,f=-6!) USER MOD Set 1.2: A 73 ASN : amide:sc= -1.77 K(o=-2.9,f=-15!) USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 39 MET CE :methyl -156:sc= -0.0791 (180deg=-1.01) USER MOD Set 3.1: A 35 THR OG1 : rot 170:sc= -0.74 USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 MET CE :methyl -148:sc= -0.148 (180deg=0) USER MOD Set 4.2: A 30 THR OG1 : rot -150:sc= -0.0327 USER MOD Set 4.3: A 52 THR OG1 : rot -155:sc= 1.26 USER MOD Set 4.4: A 64 THR OG1 : rot 180:sc= 0.696 USER MOD Set 5.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 13 ASN : amide:sc= -0.879 K(o=-0.88,f=-2.2) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 80:sc= -1.59 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 24:sc= 0.623 USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= 0 (180deg=-1.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -161:sc= 1.26 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -11:sc= 0.593 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.11) USER MOD Single : A 62 SER OG : rot -12:sc= 0.417! USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.141 -4.830 -3.487 1.00 22.24 N ATOM 2 CA MET A 1 -1.975 -4.532 -2.069 1.00 5.22 C ATOM 3 C MET A 1 -0.648 -5.079 -1.550 1.00 54.31 C ATOM 4 O MET A 1 -0.609 -5.790 -0.545 1.00 71.24 O ATOM 5 CB MET A 1 -3.133 -5.122 -1.262 1.00 51.54 C ATOM 6 CG MET A 1 -3.517 -4.287 -0.051 1.00 72.12 C ATOM 7 SD MET A 1 -2.642 -4.788 1.443 1.00 25.03 S ATOM 8 CE MET A 1 -3.945 -4.647 2.663 1.00 15.11 C ATOM 0 H1 MET A 1 -3.050 -4.449 -3.818 1.00 22.24 H new ATOM 0 H2 MET A 1 -1.366 -4.394 -4.026 1.00 22.24 H new ATOM 0 H3 MET A 1 -2.125 -5.860 -3.629 1.00 22.24 H new ATOM 0 HA MET A 1 -1.973 -3.449 -1.949 1.00 5.22 H new ATOM 0 HB2 MET A 1 -4.002 -5.226 -1.912 1.00 51.54 H new ATOM 0 HB3 MET A 1 -2.861 -6.124 -0.931 1.00 51.54 H new ATOM 0 HG2 MET A 1 -3.306 -3.238 -0.256 1.00 72.12 H new ATOM 0 HG3 MET A 1 -4.591 -4.369 0.117 1.00 72.12 H new ATOM 0 HE1 MET A 1 -3.557 -4.925 3.643 1.00 15.11 H new ATOM 0 HE2 MET A 1 -4.305 -3.619 2.693 1.00 15.11 H new ATOM 0 HE3 MET A 1 -4.767 -5.312 2.396 1.00 15.11 H new ATOM 18 N LEU A 2 0.436 -4.743 -2.241 1.00 15.23 N ATOM 19 CA LEU A 2 1.764 -5.201 -1.850 1.00 3.44 C ATOM 20 C LEU A 2 2.842 -4.263 -2.384 1.00 64.31 C ATOM 21 O LEU A 2 2.700 -3.688 -3.463 1.00 73.12 O ATOM 22 CB LEU A 2 2.007 -6.621 -2.363 1.00 23.14 C ATOM 23 CG LEU A 2 3.337 -7.261 -1.963 1.00 3.24 C ATOM 24 CD1 LEU A 2 3.254 -7.829 -0.555 1.00 21.34 C ATOM 25 CD2 LEU A 2 3.727 -8.346 -2.956 1.00 2.13 C ATOM 0 H LEU A 2 0.421 -4.155 -3.074 1.00 15.23 H new ATOM 0 HA LEU A 2 1.816 -5.201 -0.761 1.00 3.44 H new ATOM 0 HB2 LEU A 2 1.198 -7.258 -2.006 1.00 23.14 H new ATOM 0 HB3 LEU A 2 1.946 -6.608 -3.451 1.00 23.14 H new ATOM 0 HG LEU A 2 4.108 -6.490 -1.977 1.00 3.24 H new ATOM 0 HD11 LEU A 2 4.210 -8.280 -0.288 1.00 21.34 H new ATOM 0 HD12 LEU A 2 3.022 -7.028 0.147 1.00 21.34 H new ATOM 0 HD13 LEU A 2 2.471 -8.586 -0.514 1.00 21.34 H new ATOM 0 HD21 LEU A 2 4.676 -8.790 -2.655 1.00 2.13 H new ATOM 0 HD22 LEU A 2 2.956 -9.116 -2.975 1.00 2.13 H new ATOM 0 HD23 LEU A 2 3.829 -7.910 -3.950 1.00 2.13 H new ATOM 37 N ASP A 3 3.921 -4.116 -1.623 1.00 63.22 N ATOM 38 CA ASP A 3 5.026 -3.251 -2.022 1.00 32.44 C ATOM 39 C ASP A 3 6.317 -4.051 -2.167 1.00 11.11 C ATOM 40 O ASP A 3 6.693 -4.811 -1.274 1.00 73.21 O ATOM 41 CB ASP A 3 5.218 -2.130 -0.999 1.00 60.13 C ATOM 42 CG ASP A 3 3.904 -1.636 -0.428 1.00 34.12 C ATOM 43 OD1 ASP A 3 3.307 -2.358 0.398 1.00 32.15 O ATOM 44 OD2 ASP A 3 3.472 -0.527 -0.806 1.00 61.20 O ATOM 0 H ASP A 3 4.054 -4.584 -0.727 1.00 63.22 H new ATOM 0 HA ASP A 3 4.781 -2.812 -2.989 1.00 32.44 H new ATOM 0 HB2 ASP A 3 5.852 -2.487 -0.187 1.00 60.13 H new ATOM 0 HB3 ASP A 3 5.742 -1.298 -1.470 1.00 60.13 H new ATOM 49 N CYS A 4 6.992 -3.875 -3.298 1.00 14.10 N ATOM 50 CA CYS A 4 8.240 -4.580 -3.562 1.00 72.41 C ATOM 51 C CYS A 4 9.279 -3.640 -4.166 1.00 72.12 C ATOM 52 O CYS A 4 8.955 -2.531 -4.593 1.00 71.43 O ATOM 53 CB CYS A 4 7.994 -5.760 -4.505 1.00 53.31 C ATOM 54 SG CYS A 4 6.621 -6.844 -3.997 1.00 72.01 S ATOM 0 H CYS A 4 6.695 -3.249 -4.047 1.00 14.10 H new ATOM 0 HA CYS A 4 8.624 -4.955 -2.613 1.00 72.41 H new ATOM 0 HB2 CYS A 4 7.789 -5.376 -5.504 1.00 53.31 H new ATOM 0 HB3 CYS A 4 8.906 -6.354 -4.572 1.00 53.31 H new ATOM 59 N HIS A 5 10.529 -4.091 -4.199 1.00 11.12 N ATOM 60 CA HIS A 5 11.616 -3.291 -4.751 1.00 50.44 C ATOM 61 C HIS A 5 11.689 -3.446 -6.267 1.00 72.14 C ATOM 62 O HIS A 5 11.975 -4.529 -6.778 1.00 22.23 O ATOM 63 CB HIS A 5 12.948 -3.697 -4.121 1.00 22.12 C ATOM 64 CG HIS A 5 13.099 -3.251 -2.699 1.00 34.52 C ATOM 65 ND1 HIS A 5 13.374 -1.948 -2.344 1.00 11.22 N ATOM 66 CD2 HIS A 5 13.009 -3.945 -1.540 1.00 13.54 C ATOM 67 CE1 HIS A 5 13.449 -1.859 -1.028 1.00 14.41 C ATOM 68 NE2 HIS A 5 13.230 -3.056 -0.516 1.00 23.40 N ATOM 0 H HIS A 5 10.814 -5.006 -3.850 1.00 11.12 H new ATOM 0 HA HIS A 5 11.417 -2.245 -4.519 1.00 50.44 H new ATOM 0 HB2 HIS A 5 13.046 -4.782 -4.165 1.00 22.12 H new ATOM 0 HB3 HIS A 5 13.763 -3.279 -4.713 1.00 22.12 H new ATOM 0 HD2 HIS A 5 12.802 -5.000 -1.439 1.00 13.54 H new ATOM 0 HE1 HIS A 5 13.655 -0.960 -0.466 1.00 14.41 H new ATOM 0 HE2 HIS A 5 13.226 -3.284 0.478 1.00 23.40 H new ATOM 76 N VAL A 6 11.427 -2.357 -6.982 1.00 52.55 N ATOM 77 CA VAL A 6 11.463 -2.372 -8.440 1.00 11.30 C ATOM 78 C VAL A 6 12.609 -1.517 -8.970 1.00 55.03 C ATOM 79 O VAL A 6 12.534 -0.288 -8.966 1.00 4.22 O ATOM 80 CB VAL A 6 10.138 -1.864 -9.040 1.00 20.15 C ATOM 81 CG1 VAL A 6 10.205 -1.862 -10.559 1.00 64.51 C ATOM 82 CG2 VAL A 6 8.973 -2.711 -8.550 1.00 61.32 C ATOM 0 H VAL A 6 11.187 -1.453 -6.576 1.00 52.55 H new ATOM 0 HA VAL A 6 11.616 -3.408 -8.742 1.00 11.30 H new ATOM 0 HB VAL A 6 9.978 -0.839 -8.707 1.00 20.15 H new ATOM 0 HG11 VAL A 6 9.260 -1.500 -10.964 1.00 64.51 H new ATOM 0 HG12 VAL A 6 11.014 -1.209 -10.887 1.00 64.51 H new ATOM 0 HG13 VAL A 6 10.389 -2.875 -10.916 1.00 64.51 H new ATOM 0 HG21 VAL A 6 8.045 -2.339 -8.983 1.00 61.32 H new ATOM 0 HG22 VAL A 6 9.124 -3.747 -8.852 1.00 61.32 H new ATOM 0 HG23 VAL A 6 8.914 -2.655 -7.463 1.00 61.32 H new ATOM 92 N CYS A 7 13.668 -2.175 -9.428 1.00 22.54 N ATOM 93 CA CYS A 7 14.831 -1.477 -9.962 1.00 70.21 C ATOM 94 C CYS A 7 15.875 -2.468 -10.468 1.00 25.11 C ATOM 95 O CYS A 7 15.647 -3.677 -10.473 1.00 65.40 O ATOM 96 CB CYS A 7 15.446 -0.573 -8.892 1.00 32.44 C ATOM 97 SG CYS A 7 15.892 -1.441 -7.353 1.00 13.52 S ATOM 0 H CYS A 7 13.745 -3.192 -9.440 1.00 22.54 H new ATOM 0 HA CYS A 7 14.502 -0.863 -10.800 1.00 70.21 H new ATOM 0 HB2 CYS A 7 16.338 -0.099 -9.301 1.00 32.44 H new ATOM 0 HB3 CYS A 7 14.741 0.224 -8.656 1.00 32.44 H new ATOM 102 N ALA A 8 17.022 -1.946 -10.892 1.00 74.12 N ATOM 103 CA ALA A 8 18.102 -2.784 -11.398 1.00 11.04 C ATOM 104 C ALA A 8 19.454 -2.099 -11.226 1.00 73.51 C ATOM 105 O ALA A 8 19.596 -0.908 -11.501 1.00 3.32 O ATOM 106 CB ALA A 8 17.864 -3.127 -12.861 1.00 14.23 C ATOM 0 H ALA A 8 17.227 -0.947 -10.895 1.00 74.12 H new ATOM 0 HA ALA A 8 18.115 -3.707 -10.818 1.00 11.04 H new ATOM 0 HB1 ALA A 8 18.679 -3.753 -13.225 1.00 14.23 H new ATOM 0 HB2 ALA A 8 16.921 -3.665 -12.960 1.00 14.23 H new ATOM 0 HB3 ALA A 8 17.822 -2.209 -13.448 1.00 14.23 H new ATOM 112 N TYR A 9 20.443 -2.860 -10.770 1.00 52.21 N ATOM 113 CA TYR A 9 21.783 -2.325 -10.559 1.00 32.30 C ATOM 114 C TYR A 9 22.844 -3.378 -10.865 1.00 52.12 C ATOM 115 O TYR A 9 22.584 -4.578 -10.789 1.00 13.14 O ATOM 116 CB TYR A 9 21.937 -1.833 -9.119 1.00 23.31 C ATOM 117 CG TYR A 9 23.299 -1.248 -8.822 1.00 24.02 C ATOM 118 CD1 TYR A 9 23.715 -0.065 -9.422 1.00 32.54 C ATOM 119 CD2 TYR A 9 24.171 -1.878 -7.942 1.00 43.23 C ATOM 120 CE1 TYR A 9 24.959 0.473 -9.154 1.00 33.21 C ATOM 121 CE2 TYR A 9 25.416 -1.346 -7.668 1.00 23.15 C ATOM 122 CZ TYR A 9 25.806 -0.171 -8.276 1.00 15.12 C ATOM 123 OH TYR A 9 27.045 0.361 -8.006 1.00 5.23 O ATOM 0 H TYR A 9 20.342 -3.848 -10.540 1.00 52.21 H new ATOM 0 HA TYR A 9 21.923 -1.485 -11.240 1.00 32.30 H new ATOM 0 HB2 TYR A 9 21.175 -1.080 -8.918 1.00 23.31 H new ATOM 0 HB3 TYR A 9 21.751 -2.664 -8.438 1.00 23.31 H new ATOM 0 HD1 TYR A 9 23.054 0.442 -10.109 1.00 32.54 H new ATOM 0 HD2 TYR A 9 23.870 -2.799 -7.464 1.00 43.23 H new ATOM 0 HE1 TYR A 9 25.267 1.393 -9.629 1.00 33.21 H new ATOM 0 HE2 TYR A 9 26.081 -1.848 -6.981 1.00 23.15 H new ATOM 0 HH TYR A 9 27.516 -0.214 -7.367 1.00 5.23 H new ATOM 133 N ASN A 10 24.042 -2.918 -11.212 1.00 14.10 N ATOM 134 CA ASN A 10 25.144 -3.819 -11.530 1.00 54.31 C ATOM 135 C ASN A 10 26.026 -4.052 -10.307 1.00 41.55 C ATOM 136 O ASN A 10 27.199 -3.682 -10.296 1.00 43.32 O ATOM 137 CB ASN A 10 25.981 -3.248 -12.676 1.00 62.54 C ATOM 138 CG ASN A 10 25.216 -3.203 -13.985 1.00 14.43 C ATOM 139 OD1 ASN A 10 24.108 -3.729 -14.087 1.00 75.31 O ATOM 140 ND2 ASN A 10 25.805 -2.571 -14.993 1.00 50.21 N ATOM 0 H ASN A 10 24.274 -1.927 -11.280 1.00 14.10 H new ATOM 0 HA ASN A 10 24.722 -4.776 -11.839 1.00 54.31 H new ATOM 0 HB2 ASN A 10 26.310 -2.242 -12.416 1.00 62.54 H new ATOM 0 HB3 ASN A 10 26.878 -3.853 -12.803 1.00 62.54 H new ATOM 0 HD21 ASN A 10 25.338 -2.507 -15.897 1.00 50.21 H new ATOM 0 HD22 ASN A 10 26.725 -2.149 -14.863 1.00 50.21 H new ATOM 147 N GLY A 11 25.452 -4.668 -9.279 1.00 22.42 N ATOM 148 CA GLY A 11 26.201 -4.941 -8.066 1.00 13.33 C ATOM 149 C GLY A 11 25.510 -5.952 -7.173 1.00 30.40 C ATOM 150 O GLY A 11 25.048 -6.992 -7.643 1.00 70.23 O ATOM 0 H GLY A 11 24.482 -4.983 -9.264 1.00 22.42 H new ATOM 0 HA2 GLY A 11 27.192 -5.311 -8.330 1.00 13.33 H new ATOM 0 HA3 GLY A 11 26.345 -4.012 -7.514 1.00 13.33 H new ATOM 154 N ASP A 12 25.440 -5.649 -5.881 1.00 64.25 N ATOM 155 CA ASP A 12 24.802 -6.541 -4.920 1.00 54.42 C ATOM 156 C ASP A 12 23.290 -6.564 -5.123 1.00 32.54 C ATOM 157 O ASP A 12 22.735 -7.545 -5.617 1.00 25.22 O ATOM 158 CB ASP A 12 25.130 -6.105 -3.492 1.00 5.45 C ATOM 159 CG ASP A 12 24.676 -7.117 -2.458 1.00 42.23 C ATOM 160 OD1 ASP A 12 24.745 -8.330 -2.746 1.00 21.43 O ATOM 161 OD2 ASP A 12 24.253 -6.695 -1.362 1.00 35.41 O ATOM 0 H ASP A 12 25.817 -4.793 -5.475 1.00 64.25 H new ATOM 0 HA ASP A 12 25.189 -7.547 -5.082 1.00 54.42 H new ATOM 0 HB2 ASP A 12 26.205 -5.953 -3.400 1.00 5.45 H new ATOM 0 HB3 ASP A 12 24.654 -5.145 -3.290 1.00 5.45 H new ATOM 166 N ASN A 13 22.629 -5.478 -4.736 1.00 72.11 N ATOM 167 CA ASN A 13 21.181 -5.375 -4.874 1.00 34.24 C ATOM 168 C ASN A 13 20.720 -3.930 -4.710 1.00 31.01 C ATOM 169 O ASN A 13 21.057 -3.267 -3.729 1.00 14.25 O ATOM 170 CB ASN A 13 20.485 -6.264 -3.841 1.00 32.22 C ATOM 171 CG ASN A 13 21.375 -6.577 -2.654 1.00 2.24 C ATOM 172 OD1 ASN A 13 21.892 -7.687 -2.526 1.00 50.14 O ATOM 173 ND2 ASN A 13 21.558 -5.596 -1.777 1.00 60.20 N ATOM 0 H ASN A 13 23.073 -4.657 -4.324 1.00 72.11 H new ATOM 0 HA ASN A 13 20.912 -5.712 -5.875 1.00 34.24 H new ATOM 0 HB2 ASN A 13 19.579 -5.769 -3.492 1.00 32.22 H new ATOM 0 HB3 ASN A 13 20.177 -7.195 -4.316 1.00 32.22 H new ATOM 0 HD21 ASN A 13 22.147 -5.747 -0.958 1.00 60.20 H new ATOM 0 HD22 ASN A 13 21.110 -4.691 -1.923 1.00 60.20 H new ATOM 180 N CYS A 14 19.947 -3.448 -5.678 1.00 3.14 N ATOM 181 CA CYS A 14 19.439 -2.082 -5.642 1.00 44.22 C ATOM 182 C CYS A 14 18.287 -1.955 -4.650 1.00 23.45 C ATOM 183 O CYS A 14 17.735 -2.956 -4.191 1.00 65.25 O ATOM 184 CB CYS A 14 18.976 -1.651 -7.035 1.00 62.44 C ATOM 185 SG CYS A 14 17.504 -2.540 -7.637 1.00 11.11 S ATOM 0 H CYS A 14 19.659 -3.984 -6.497 1.00 3.14 H new ATOM 0 HA CYS A 14 20.249 -1.429 -5.317 1.00 44.22 H new ATOM 0 HB2 CYS A 14 18.761 -0.582 -7.020 1.00 62.44 H new ATOM 0 HB3 CYS A 14 19.793 -1.802 -7.741 1.00 62.44 H new ATOM 190 N PHE A 15 17.929 -0.718 -4.322 1.00 22.43 N ATOM 191 CA PHE A 15 16.843 -0.460 -3.383 1.00 65.20 C ATOM 192 C PHE A 15 15.869 0.569 -3.948 1.00 40.03 C ATOM 193 O PHE A 15 16.219 1.733 -4.136 1.00 43.21 O ATOM 194 CB PHE A 15 17.403 0.031 -2.046 1.00 73.21 C ATOM 195 CG PHE A 15 18.151 -1.026 -1.285 1.00 10.11 C ATOM 196 CD1 PHE A 15 17.647 -2.313 -1.183 1.00 3.40 C ATOM 197 CD2 PHE A 15 19.358 -0.732 -0.671 1.00 31.32 C ATOM 198 CE1 PHE A 15 18.334 -3.288 -0.484 1.00 15.54 C ATOM 199 CE2 PHE A 15 20.049 -1.703 0.029 1.00 33.15 C ATOM 200 CZ PHE A 15 19.535 -2.982 0.124 1.00 4.13 C ATOM 0 H PHE A 15 18.375 0.121 -4.692 1.00 22.43 H new ATOM 0 HA PHE A 15 16.305 -1.394 -3.223 1.00 65.20 H new ATOM 0 HB2 PHE A 15 18.068 0.875 -2.228 1.00 73.21 H new ATOM 0 HB3 PHE A 15 16.582 0.398 -1.430 1.00 73.21 H new ATOM 0 HD1 PHE A 15 16.707 -2.557 -1.655 1.00 3.40 H new ATOM 0 HD2 PHE A 15 19.763 0.267 -0.740 1.00 31.32 H new ATOM 0 HE1 PHE A 15 17.932 -4.288 -0.414 1.00 15.54 H new ATOM 0 HE2 PHE A 15 20.990 -1.462 0.501 1.00 33.15 H new ATOM 0 HZ PHE A 15 20.072 -3.741 0.673 1.00 4.13 H new ATOM 210 N ASN A 16 14.644 0.129 -4.218 1.00 0.51 N ATOM 211 CA ASN A 16 13.618 1.011 -4.763 1.00 43.40 C ATOM 212 C ASN A 16 12.224 0.445 -4.511 1.00 42.15 C ATOM 213 O ASN A 16 11.630 -0.212 -5.367 1.00 24.14 O ATOM 214 CB ASN A 16 13.836 1.214 -6.264 1.00 15.00 C ATOM 215 CG ASN A 16 13.151 2.463 -6.784 1.00 13.22 C ATOM 216 OD1 ASN A 16 13.739 3.544 -6.805 1.00 3.34 O ATOM 217 ND2 ASN A 16 11.900 2.320 -7.207 1.00 21.34 N ATOM 0 H ASN A 16 14.338 -0.832 -4.068 1.00 0.51 H new ATOM 0 HA ASN A 16 13.696 1.974 -4.258 1.00 43.40 H new ATOM 0 HB2 ASN A 16 14.905 1.278 -6.468 1.00 15.00 H new ATOM 0 HB3 ASN A 16 13.460 0.345 -6.804 1.00 15.00 H new ATOM 0 HD21 ASN A 16 11.388 3.125 -7.567 1.00 21.34 H new ATOM 0 HD22 ASN A 16 11.451 1.405 -7.171 1.00 21.34 H new ATOM 224 N PRO A 17 11.688 0.705 -3.310 1.00 12.40 N ATOM 225 CA PRO A 17 10.357 0.232 -2.918 1.00 11.01 C ATOM 226 C PRO A 17 9.242 0.942 -3.678 1.00 71.44 C ATOM 227 O PRO A 17 9.105 2.162 -3.602 1.00 42.20 O ATOM 228 CB PRO A 17 10.286 0.569 -1.427 1.00 14.45 C ATOM 229 CG PRO A 17 11.231 1.707 -1.250 1.00 24.22 C ATOM 230 CD PRO A 17 12.339 1.482 -2.242 1.00 11.50 C ATOM 0 HA PRO A 17 10.220 -0.827 -3.137 1.00 11.01 H new ATOM 0 HB2 PRO A 17 9.274 0.845 -1.131 1.00 14.45 H new ATOM 0 HB3 PRO A 17 10.575 -0.285 -0.814 1.00 14.45 H new ATOM 0 HG2 PRO A 17 10.733 2.660 -1.430 1.00 24.22 H new ATOM 0 HG3 PRO A 17 11.619 1.738 -0.232 1.00 24.22 H new ATOM 0 HD2 PRO A 17 12.740 2.424 -2.617 1.00 11.50 H new ATOM 0 HD3 PRO A 17 13.171 0.936 -1.798 1.00 11.50 H new ATOM 238 N MET A 18 8.447 0.169 -4.411 1.00 61.34 N ATOM 239 CA MET A 18 7.343 0.724 -5.185 1.00 15.55 C ATOM 240 C MET A 18 6.112 -0.173 -5.098 1.00 23.23 C ATOM 241 O MET A 18 6.209 -1.391 -5.253 1.00 12.33 O ATOM 242 CB MET A 18 7.755 0.904 -6.647 1.00 10.12 C ATOM 243 CG MET A 18 6.580 1.108 -7.589 1.00 53.10 C ATOM 244 SD MET A 18 5.623 2.585 -7.196 1.00 73.10 S ATOM 245 CE MET A 18 4.914 2.965 -8.797 1.00 3.14 C ATOM 0 H MET A 18 8.547 -0.843 -4.485 1.00 61.34 H new ATOM 0 HA MET A 18 7.092 1.698 -4.764 1.00 15.55 H new ATOM 0 HB2 MET A 18 8.425 1.760 -6.724 1.00 10.12 H new ATOM 0 HB3 MET A 18 8.319 0.028 -6.967 1.00 10.12 H new ATOM 0 HG2 MET A 18 6.948 1.180 -8.612 1.00 53.10 H new ATOM 0 HG3 MET A 18 5.928 0.235 -7.545 1.00 53.10 H new ATOM 0 HE1 MET A 18 4.293 3.857 -8.717 1.00 3.14 H new ATOM 0 HE2 MET A 18 5.714 3.142 -9.516 1.00 3.14 H new ATOM 0 HE3 MET A 18 4.303 2.127 -9.133 1.00 3.14 H new ATOM 255 N ARG A 19 4.957 0.436 -4.849 1.00 25.52 N ATOM 256 CA ARG A 19 3.709 -0.310 -4.740 1.00 0.51 C ATOM 257 C ARG A 19 3.292 -0.873 -6.095 1.00 41.13 C ATOM 258 O ARG A 19 3.273 -0.158 -7.098 1.00 12.24 O ATOM 259 CB ARG A 19 2.601 0.588 -4.186 1.00 41.42 C ATOM 260 CG ARG A 19 1.242 -0.088 -4.126 1.00 75.43 C ATOM 261 CD ARG A 19 1.094 -0.933 -2.870 1.00 43.31 C ATOM 262 NE ARG A 19 0.493 -0.180 -1.772 1.00 73.34 N ATOM 263 CZ ARG A 19 0.167 -0.720 -0.603 1.00 70.22 C ATOM 264 NH1 ARG A 19 0.384 -2.009 -0.381 1.00 22.11 N ATOM 265 NH2 ARG A 19 -0.377 0.030 0.347 1.00 62.13 N ATOM 0 H ARG A 19 4.860 1.443 -4.719 1.00 25.52 H new ATOM 0 HA ARG A 19 3.870 -1.142 -4.055 1.00 0.51 H new ATOM 0 HB2 ARG A 19 2.878 0.917 -3.184 1.00 41.42 H new ATOM 0 HB3 ARG A 19 2.526 1.482 -4.805 1.00 41.42 H new ATOM 0 HG2 ARG A 19 0.457 0.668 -4.152 1.00 75.43 H new ATOM 0 HG3 ARG A 19 1.108 -0.717 -5.006 1.00 75.43 H new ATOM 0 HD2 ARG A 19 0.479 -1.806 -3.090 1.00 43.31 H new ATOM 0 HD3 ARG A 19 2.073 -1.302 -2.564 1.00 43.31 H new ATOM 0 HE ARG A 19 0.314 0.815 -1.910 1.00 73.34 H new ATOM 0 HH11 ARG A 19 0.802 -2.589 -1.109 1.00 22.11 H new ATOM 0 HH12 ARG A 19 0.133 -2.421 0.518 1.00 22.11 H new ATOM 0 HH21 ARG A 19 -0.545 1.022 0.180 1.00 62.13 H new ATOM 0 HH22 ARG A 19 -0.627 -0.386 1.244 1.00 62.13 H new ATOM 279 N CYS A 20 2.960 -2.159 -6.119 1.00 34.24 N ATOM 280 CA CYS A 20 2.544 -2.820 -7.350 1.00 11.11 C ATOM 281 C CYS A 20 1.110 -2.445 -7.711 1.00 54.31 C ATOM 282 O CYS A 20 0.312 -2.050 -6.861 1.00 11.54 O ATOM 283 CB CYS A 20 2.664 -4.338 -7.204 1.00 64.24 C ATOM 284 SG CYS A 20 4.181 -4.886 -6.356 1.00 53.22 S ATOM 0 H CYS A 20 2.971 -2.765 -5.299 1.00 34.24 H new ATOM 0 HA CYS A 20 3.202 -2.486 -8.152 1.00 11.11 H new ATOM 0 HB2 CYS A 20 1.799 -4.709 -6.654 1.00 64.24 H new ATOM 0 HB3 CYS A 20 2.630 -4.791 -8.195 1.00 64.24 H new ATOM 289 N PRO A 21 0.773 -2.571 -9.003 1.00 75.12 N ATOM 290 CA PRO A 21 -0.566 -2.251 -9.507 1.00 35.31 C ATOM 291 C PRO A 21 -1.617 -3.250 -9.034 1.00 15.31 C ATOM 292 O PRO A 21 -1.304 -4.206 -8.325 1.00 14.52 O ATOM 293 CB PRO A 21 -0.401 -2.329 -11.027 1.00 14.52 C ATOM 294 CG PRO A 21 0.747 -3.254 -11.237 1.00 31.24 C ATOM 295 CD PRO A 21 1.673 -3.036 -10.072 1.00 35.32 C ATOM 0 HA PRO A 21 -0.914 -1.281 -9.151 1.00 35.31 H new ATOM 0 HB2 PRO A 21 -1.305 -2.706 -11.504 1.00 14.52 H new ATOM 0 HB3 PRO A 21 -0.201 -1.346 -11.454 1.00 14.52 H new ATOM 0 HG2 PRO A 21 0.411 -4.290 -11.280 1.00 31.24 H new ATOM 0 HG3 PRO A 21 1.250 -3.043 -12.180 1.00 31.24 H new ATOM 0 HD2 PRO A 21 2.189 -3.954 -9.792 1.00 35.32 H new ATOM 0 HD3 PRO A 21 2.440 -2.296 -10.301 1.00 35.32 H new ATOM 303 N ALA A 22 -2.865 -3.022 -9.431 1.00 41.44 N ATOM 304 CA ALA A 22 -3.962 -3.903 -9.050 1.00 5.22 C ATOM 305 C ALA A 22 -3.965 -5.172 -9.895 1.00 55.12 C ATOM 306 O ALA A 22 -4.966 -5.502 -10.531 1.00 42.24 O ATOM 307 CB ALA A 22 -5.292 -3.176 -9.179 1.00 70.10 C ATOM 0 H ALA A 22 -3.141 -2.234 -10.017 1.00 41.44 H new ATOM 0 HA ALA A 22 -3.819 -4.192 -8.009 1.00 5.22 H new ATOM 0 HB1 ALA A 22 -6.102 -3.846 -8.891 1.00 70.10 H new ATOM 0 HB2 ALA A 22 -5.294 -2.303 -8.527 1.00 70.10 H new ATOM 0 HB3 ALA A 22 -5.434 -2.858 -10.212 1.00 70.10 H new ATOM 313 N MET A 23 -2.840 -5.879 -9.897 1.00 74.45 N ATOM 314 CA MET A 23 -2.715 -7.113 -10.665 1.00 34.00 C ATOM 315 C MET A 23 -1.605 -7.994 -10.101 1.00 34.22 C ATOM 316 O MET A 23 -1.700 -9.221 -10.126 1.00 32.40 O ATOM 317 CB MET A 23 -2.435 -6.798 -12.135 1.00 45.25 C ATOM 318 CG MET A 23 -0.983 -6.444 -12.415 1.00 22.14 C ATOM 319 SD MET A 23 -0.797 -5.335 -13.824 1.00 42.00 S ATOM 320 CE MET A 23 0.051 -6.403 -14.985 1.00 43.34 C ATOM 0 H MET A 23 -2.002 -5.619 -9.376 1.00 74.45 H new ATOM 0 HA MET A 23 -3.658 -7.655 -10.591 1.00 34.00 H new ATOM 0 HB2 MET A 23 -2.714 -7.659 -12.742 1.00 45.25 H new ATOM 0 HB3 MET A 23 -3.069 -5.969 -12.448 1.00 45.25 H new ATOM 0 HG2 MET A 23 -0.550 -5.977 -11.530 1.00 22.14 H new ATOM 0 HG3 MET A 23 -0.420 -7.358 -12.601 1.00 22.14 H new ATOM 0 HE1 MET A 23 0.238 -5.859 -15.911 1.00 43.34 H new ATOM 0 HE2 MET A 23 1.000 -6.726 -14.556 1.00 43.34 H new ATOM 0 HE3 MET A 23 -0.568 -7.275 -15.196 1.00 43.34 H new ATOM 330 N VAL A 24 -0.553 -7.360 -9.592 1.00 74.43 N ATOM 331 CA VAL A 24 0.574 -8.087 -9.021 1.00 63.03 C ATOM 332 C VAL A 24 0.378 -8.321 -7.528 1.00 11.34 C ATOM 333 O VAL A 24 -0.170 -7.473 -6.823 1.00 63.22 O ATOM 334 CB VAL A 24 1.898 -7.332 -9.242 1.00 3.42 C ATOM 335 CG1 VAL A 24 2.970 -7.844 -8.292 1.00 2.01 C ATOM 336 CG2 VAL A 24 2.350 -7.461 -10.689 1.00 4.25 C ATOM 0 H VAL A 24 -0.458 -6.345 -9.564 1.00 74.43 H new ATOM 0 HA VAL A 24 0.622 -9.048 -9.532 1.00 63.03 H new ATOM 0 HB VAL A 24 1.733 -6.276 -9.030 1.00 3.42 H new ATOM 0 HG11 VAL A 24 3.898 -7.299 -8.463 1.00 2.01 H new ATOM 0 HG12 VAL A 24 2.645 -7.694 -7.262 1.00 2.01 H new ATOM 0 HG13 VAL A 24 3.136 -8.907 -8.469 1.00 2.01 H new ATOM 0 HG21 VAL A 24 3.287 -6.921 -10.827 1.00 4.25 H new ATOM 0 HG22 VAL A 24 2.498 -8.513 -10.931 1.00 4.25 H new ATOM 0 HG23 VAL A 24 1.589 -7.041 -11.347 1.00 4.25 H new ATOM 346 N ALA A 25 0.829 -9.476 -7.051 1.00 20.23 N ATOM 347 CA ALA A 25 0.705 -9.821 -5.640 1.00 3.22 C ATOM 348 C ALA A 25 1.954 -10.539 -5.139 1.00 13.24 C ATOM 349 O ALA A 25 1.963 -11.095 -4.040 1.00 71.01 O ATOM 350 CB ALA A 25 -0.528 -10.682 -5.413 1.00 72.31 C ATOM 0 H ALA A 25 1.284 -10.189 -7.621 1.00 20.23 H new ATOM 0 HA ALA A 25 0.597 -8.896 -5.073 1.00 3.22 H new ATOM 0 HB1 ALA A 25 -0.608 -10.932 -4.355 1.00 72.31 H new ATOM 0 HB2 ALA A 25 -1.417 -10.134 -5.724 1.00 72.31 H new ATOM 0 HB3 ALA A 25 -0.444 -11.599 -5.997 1.00 72.31 H new ATOM 356 N TYR A 26 3.005 -10.524 -5.950 1.00 42.52 N ATOM 357 CA TYR A 26 4.258 -11.176 -5.590 1.00 22.20 C ATOM 358 C TYR A 26 5.454 -10.379 -6.102 1.00 23.32 C ATOM 359 O TYR A 26 5.347 -9.631 -7.074 1.00 0.13 O ATOM 360 CB TYR A 26 4.298 -12.597 -6.155 1.00 64.01 C ATOM 361 CG TYR A 26 3.366 -13.556 -5.450 1.00 13.30 C ATOM 362 CD1 TYR A 26 2.008 -13.578 -5.745 1.00 10.22 C ATOM 363 CD2 TYR A 26 3.842 -14.439 -4.489 1.00 14.55 C ATOM 364 CE1 TYR A 26 1.152 -14.451 -5.103 1.00 33.43 C ATOM 365 CE2 TYR A 26 2.993 -15.317 -3.843 1.00 1.44 C ATOM 366 CZ TYR A 26 1.649 -15.319 -4.153 1.00 21.12 C ATOM 367 OH TYR A 26 0.800 -16.191 -3.511 1.00 24.25 O ATOM 0 H TYR A 26 3.014 -10.067 -6.862 1.00 42.52 H new ATOM 0 HA TYR A 26 4.315 -11.223 -4.502 1.00 22.20 H new ATOM 0 HB2 TYR A 26 4.040 -12.565 -7.214 1.00 64.01 H new ATOM 0 HB3 TYR A 26 5.317 -12.978 -6.086 1.00 64.01 H new ATOM 0 HD1 TYR A 26 1.615 -12.901 -6.489 1.00 10.22 H new ATOM 0 HD2 TYR A 26 4.894 -14.439 -4.243 1.00 14.55 H new ATOM 0 HE1 TYR A 26 0.099 -14.454 -5.343 1.00 33.43 H new ATOM 0 HE2 TYR A 26 3.380 -15.998 -3.099 1.00 1.44 H new ATOM 0 HH TYR A 26 1.309 -16.733 -2.873 1.00 24.25 H new ATOM 377 N CYS A 27 6.595 -10.546 -5.440 1.00 73.24 N ATOM 378 CA CYS A 27 7.813 -9.844 -5.826 1.00 72.11 C ATOM 379 C CYS A 27 8.773 -10.781 -6.553 1.00 43.34 C ATOM 380 O CYS A 27 8.918 -11.946 -6.185 1.00 50.11 O ATOM 381 CB CYS A 27 8.497 -9.251 -4.593 1.00 20.32 C ATOM 382 SG CYS A 27 7.344 -8.570 -3.358 1.00 72.11 S ATOM 0 H CYS A 27 6.701 -11.162 -4.634 1.00 73.24 H new ATOM 0 HA CYS A 27 7.538 -9.036 -6.504 1.00 72.11 H new ATOM 0 HB2 CYS A 27 9.104 -10.024 -4.121 1.00 20.32 H new ATOM 0 HB3 CYS A 27 9.178 -8.462 -4.913 1.00 20.32 H new ATOM 387 N MET A 28 9.427 -10.262 -7.588 1.00 22.04 N ATOM 388 CA MET A 28 10.375 -11.051 -8.366 1.00 20.33 C ATOM 389 C MET A 28 11.756 -10.404 -8.359 1.00 41.31 C ATOM 390 O MET A 28 11.881 -9.181 -8.438 1.00 13.03 O ATOM 391 CB MET A 28 9.880 -11.209 -9.805 1.00 32.34 C ATOM 392 CG MET A 28 10.855 -11.951 -10.705 1.00 13.32 C ATOM 393 SD MET A 28 10.416 -11.833 -12.450 1.00 32.03 S ATOM 394 CE MET A 28 11.924 -11.150 -13.133 1.00 0.22 C ATOM 0 H MET A 28 9.318 -9.299 -7.907 1.00 22.04 H new ATOM 0 HA MET A 28 10.453 -12.036 -7.906 1.00 20.33 H new ATOM 0 HB2 MET A 28 8.929 -11.741 -9.797 1.00 32.34 H new ATOM 0 HB3 MET A 28 9.689 -10.222 -10.226 1.00 32.34 H new ATOM 0 HG2 MET A 28 11.857 -11.548 -10.558 1.00 13.32 H new ATOM 0 HG3 MET A 28 10.887 -13.001 -10.412 1.00 13.32 H new ATOM 0 HE1 MET A 28 11.682 -10.514 -13.984 1.00 0.22 H new ATOM 0 HE2 MET A 28 12.433 -10.559 -12.372 1.00 0.22 H new ATOM 0 HE3 MET A 28 12.575 -11.961 -13.459 1.00 0.22 H new ATOM 404 N THR A 29 12.793 -11.231 -8.265 1.00 15.04 N ATOM 405 CA THR A 29 14.164 -10.739 -8.246 1.00 42.23 C ATOM 406 C THR A 29 15.108 -11.716 -8.937 1.00 23.22 C ATOM 407 O THR A 29 15.297 -12.843 -8.478 1.00 24.24 O ATOM 408 CB THR A 29 14.656 -10.498 -6.806 1.00 75.43 C ATOM 409 OG1 THR A 29 13.851 -9.496 -6.175 1.00 70.01 O ATOM 410 CG2 THR A 29 16.114 -10.065 -6.797 1.00 72.24 C ATOM 0 H THR A 29 12.708 -12.245 -8.201 1.00 15.04 H new ATOM 0 HA THR A 29 14.167 -9.792 -8.785 1.00 42.23 H new ATOM 0 HB THR A 29 14.569 -11.434 -6.254 1.00 75.43 H new ATOM 0 HG1 THR A 29 13.013 -9.898 -5.864 1.00 70.01 H new ATOM 0 HG21 THR A 29 16.438 -9.901 -5.769 1.00 72.24 H new ATOM 0 HG22 THR A 29 16.727 -10.843 -7.251 1.00 72.24 H new ATOM 0 HG23 THR A 29 16.222 -9.140 -7.364 1.00 72.24 H new ATOM 418 N THR A 30 15.701 -11.278 -10.043 1.00 72.24 N ATOM 419 CA THR A 30 16.626 -12.115 -10.798 1.00 15.33 C ATOM 420 C THR A 30 18.042 -11.553 -10.748 1.00 14.44 C ATOM 421 O THR A 30 18.365 -10.595 -11.451 1.00 72.30 O ATOM 422 CB THR A 30 16.190 -12.248 -12.269 1.00 40.12 C ATOM 423 OG1 THR A 30 14.772 -12.434 -12.346 1.00 3.33 O ATOM 424 CG2 THR A 30 16.897 -13.417 -12.939 1.00 54.20 C ATOM 0 H THR A 30 15.557 -10.348 -10.436 1.00 72.24 H new ATOM 0 HA THR A 30 16.613 -13.100 -10.332 1.00 15.33 H new ATOM 0 HB THR A 30 16.464 -11.331 -12.790 1.00 40.12 H new ATOM 0 HG1 THR A 30 14.555 -12.968 -13.138 1.00 3.33 H new ATOM 0 HG21 THR A 30 16.573 -13.491 -13.977 1.00 54.20 H new ATOM 0 HG22 THR A 30 17.975 -13.258 -12.905 1.00 54.20 H new ATOM 0 HG23 THR A 30 16.650 -14.340 -12.415 1.00 54.20 H new ATOM 432 N ARG A 31 18.883 -12.154 -9.912 1.00 54.34 N ATOM 433 CA ARG A 31 20.265 -11.712 -9.771 1.00 32.04 C ATOM 434 C ARG A 31 21.201 -12.579 -10.607 1.00 61.11 C ATOM 435 O ARG A 31 21.426 -13.749 -10.296 1.00 75.42 O ATOM 436 CB ARG A 31 20.688 -11.756 -8.301 1.00 44.23 C ATOM 437 CG ARG A 31 20.528 -13.125 -7.662 1.00 21.32 C ATOM 438 CD ARG A 31 20.604 -13.044 -6.145 1.00 64.32 C ATOM 439 NE ARG A 31 21.742 -12.247 -5.696 1.00 44.32 N ATOM 440 CZ ARG A 31 22.297 -12.369 -4.495 1.00 43.25 C ATOM 441 NH1 ARG A 31 21.822 -13.252 -3.628 1.00 54.33 N ATOM 442 NH2 ARG A 31 23.331 -11.607 -4.160 1.00 53.13 N ATOM 0 H ARG A 31 18.631 -12.948 -9.323 1.00 54.34 H new ATOM 0 HA ARG A 31 20.331 -10.685 -10.131 1.00 32.04 H new ATOM 0 HB2 ARG A 31 21.730 -11.447 -8.222 1.00 44.23 H new ATOM 0 HB3 ARG A 31 20.098 -11.031 -7.740 1.00 44.23 H new ATOM 0 HG2 ARG A 31 19.571 -13.556 -7.957 1.00 21.32 H new ATOM 0 HG3 ARG A 31 21.306 -13.793 -8.031 1.00 21.32 H new ATOM 0 HD2 ARG A 31 19.682 -12.609 -5.759 1.00 64.32 H new ATOM 0 HD3 ARG A 31 20.680 -14.050 -5.732 1.00 64.32 H new ATOM 0 HE ARG A 31 22.132 -11.559 -6.340 1.00 44.32 H new ATOM 0 HH11 ARG A 31 21.028 -13.840 -3.882 1.00 54.33 H new ATOM 0 HH12 ARG A 31 22.250 -13.343 -2.707 1.00 54.33 H new ATOM 0 HH21 ARG A 31 23.700 -10.927 -4.825 1.00 53.13 H new ATOM 0 HH22 ARG A 31 23.756 -11.701 -3.238 1.00 53.13 H new ATOM 456 N THR A 32 21.746 -11.997 -11.671 1.00 75.23 N ATOM 457 CA THR A 32 22.656 -12.716 -12.554 1.00 32.13 C ATOM 458 C THR A 32 24.105 -12.529 -12.120 1.00 10.54 C ATOM 459 O THR A 32 24.436 -11.566 -11.427 1.00 1.11 O ATOM 460 CB THR A 32 22.505 -12.252 -14.015 1.00 23.32 C ATOM 461 OG1 THR A 32 21.163 -11.813 -14.254 1.00 25.23 O ATOM 462 CG2 THR A 32 22.856 -13.376 -14.978 1.00 74.31 C ATOM 0 H THR A 32 21.573 -11.029 -11.942 1.00 75.23 H new ATOM 0 HA THR A 32 22.393 -13.772 -12.487 1.00 32.13 H new ATOM 0 HB THR A 32 23.192 -11.423 -14.183 1.00 23.32 H new ATOM 0 HG1 THR A 32 21.076 -11.518 -15.185 1.00 25.23 H new ATOM 0 HG21 THR A 32 22.742 -13.025 -16.004 1.00 74.31 H new ATOM 0 HG22 THR A 32 23.888 -13.687 -14.813 1.00 74.31 H new ATOM 0 HG23 THR A 32 22.190 -14.222 -14.808 1.00 74.31 H new ATOM 470 N TYR A 33 24.965 -13.453 -12.531 1.00 62.22 N ATOM 471 CA TYR A 33 26.380 -13.390 -12.183 1.00 73.20 C ATOM 472 C TYR A 33 27.251 -13.790 -13.370 1.00 2.22 C ATOM 473 O TYR A 33 27.408 -14.974 -13.668 1.00 43.15 O ATOM 474 CB TYR A 33 26.674 -14.301 -10.990 1.00 71.42 C ATOM 475 CG TYR A 33 26.538 -13.611 -9.652 1.00 55.52 C ATOM 476 CD1 TYR A 33 25.289 -13.261 -9.152 1.00 62.24 C ATOM 477 CD2 TYR A 33 27.657 -13.308 -8.887 1.00 65.03 C ATOM 478 CE1 TYR A 33 25.160 -12.629 -7.931 1.00 22.11 C ATOM 479 CE2 TYR A 33 27.538 -12.677 -7.664 1.00 32.51 C ATOM 480 CZ TYR A 33 26.287 -12.340 -7.190 1.00 42.34 C ATOM 481 OH TYR A 33 26.163 -11.711 -5.972 1.00 72.54 O ATOM 0 H TYR A 33 24.708 -14.255 -13.106 1.00 62.22 H new ATOM 0 HA TYR A 33 26.616 -12.361 -11.913 1.00 73.20 H new ATOM 0 HB2 TYR A 33 25.996 -15.154 -11.020 1.00 71.42 H new ATOM 0 HB3 TYR A 33 27.686 -14.694 -11.085 1.00 71.42 H new ATOM 0 HD1 TYR A 33 24.404 -13.487 -9.728 1.00 62.24 H new ATOM 0 HD2 TYR A 33 28.638 -13.570 -9.255 1.00 65.03 H new ATOM 0 HE1 TYR A 33 24.182 -12.362 -7.558 1.00 22.11 H new ATOM 0 HE2 TYR A 33 28.419 -12.449 -7.082 1.00 32.51 H new ATOM 0 HH TYR A 33 27.051 -11.581 -5.579 1.00 72.54 H new ATOM 491 N TYR A 34 27.816 -12.793 -14.042 1.00 60.23 N ATOM 492 CA TYR A 34 28.671 -13.039 -15.198 1.00 13.22 C ATOM 493 C TYR A 34 30.104 -13.331 -14.763 1.00 53.33 C ATOM 494 O TYR A 34 30.659 -14.384 -15.077 1.00 73.41 O ATOM 495 CB TYR A 34 28.647 -11.835 -16.141 1.00 2.31 C ATOM 496 CG TYR A 34 27.408 -11.767 -17.005 1.00 44.51 C ATOM 497 CD1 TYR A 34 26.163 -11.502 -16.449 1.00 31.40 C ATOM 498 CD2 TYR A 34 27.484 -11.965 -18.378 1.00 72.33 C ATOM 499 CE1 TYR A 34 25.028 -11.440 -17.235 1.00 25.03 C ATOM 500 CE2 TYR A 34 26.355 -11.903 -19.172 1.00 72.31 C ATOM 501 CZ TYR A 34 25.129 -11.641 -18.596 1.00 5.14 C ATOM 502 OH TYR A 34 24.002 -11.578 -19.382 1.00 30.11 O ATOM 0 H TYR A 34 27.698 -11.808 -13.807 1.00 60.23 H new ATOM 0 HA TYR A 34 28.286 -13.912 -15.725 1.00 13.22 H new ATOM 0 HB2 TYR A 34 28.719 -10.921 -15.552 1.00 2.31 H new ATOM 0 HB3 TYR A 34 29.527 -11.870 -16.784 1.00 2.31 H new ATOM 0 HD1 TYR A 34 26.081 -11.342 -15.384 1.00 31.40 H new ATOM 0 HD2 TYR A 34 28.442 -12.171 -18.832 1.00 72.33 H new ATOM 0 HE1 TYR A 34 24.067 -11.235 -16.786 1.00 25.03 H new ATOM 0 HE2 TYR A 34 26.432 -12.059 -20.238 1.00 72.31 H new ATOM 0 HH TYR A 34 24.246 -11.741 -20.317 1.00 30.11 H new ATOM 512 N THR A 35 30.699 -12.389 -14.037 1.00 73.15 N ATOM 513 CA THR A 35 32.067 -12.543 -13.559 1.00 53.02 C ATOM 514 C THR A 35 32.138 -12.404 -12.043 1.00 31.42 C ATOM 515 O THR A 35 31.242 -11.853 -11.403 1.00 3.20 O ATOM 516 CB THR A 35 33.007 -11.506 -14.203 1.00 32.33 C ATOM 517 OG1 THR A 35 33.083 -10.337 -13.380 1.00 51.31 O ATOM 518 CG2 THR A 35 32.521 -11.124 -15.593 1.00 34.14 C ATOM 0 H THR A 35 30.254 -11.511 -13.767 1.00 73.15 H new ATOM 0 HA THR A 35 32.391 -13.544 -13.845 1.00 53.02 H new ATOM 0 HB THR A 35 33.998 -11.952 -14.292 1.00 32.33 H new ATOM 0 HG1 THR A 35 33.799 -9.753 -13.707 1.00 51.31 H new ATOM 0 HG21 THR A 35 33.201 -10.391 -16.027 1.00 34.14 H new ATOM 0 HG22 THR A 35 32.492 -12.012 -16.225 1.00 34.14 H new ATOM 0 HG23 THR A 35 31.521 -10.696 -15.524 1.00 34.14 H new ATOM 526 N PRO A 36 33.228 -12.916 -11.452 1.00 10.34 N ATOM 527 CA PRO A 36 33.442 -12.860 -10.003 1.00 4.35 C ATOM 528 C PRO A 36 33.721 -11.443 -9.512 1.00 53.00 C ATOM 529 O PRO A 36 33.855 -11.205 -8.311 1.00 73.11 O ATOM 530 CB PRO A 36 34.670 -13.750 -9.791 1.00 13.41 C ATOM 531 CG PRO A 36 35.394 -13.711 -11.092 1.00 64.10 C ATOM 532 CD PRO A 36 34.335 -13.587 -12.152 1.00 64.33 C ATOM 0 HA PRO A 36 32.562 -13.185 -9.449 1.00 4.35 H new ATOM 0 HB2 PRO A 36 35.294 -13.377 -8.979 1.00 13.41 H new ATOM 0 HB3 PRO A 36 34.381 -14.768 -9.529 1.00 13.41 H new ATOM 0 HG2 PRO A 36 36.084 -12.868 -11.129 1.00 64.10 H new ATOM 0 HG3 PRO A 36 35.986 -14.615 -11.236 1.00 64.10 H new ATOM 0 HD2 PRO A 36 34.685 -13.003 -13.003 1.00 64.33 H new ATOM 0 HD3 PRO A 36 34.035 -14.562 -12.536 1.00 64.33 H new ATOM 540 N THR A 37 33.806 -10.503 -10.449 1.00 24.33 N ATOM 541 CA THR A 37 34.069 -9.110 -10.112 1.00 24.03 C ATOM 542 C THR A 37 33.005 -8.192 -10.701 1.00 10.53 C ATOM 543 O THR A 37 33.039 -6.977 -10.500 1.00 64.32 O ATOM 544 CB THR A 37 35.454 -8.662 -10.616 1.00 42.10 C ATOM 545 OG1 THR A 37 35.743 -9.284 -11.873 1.00 53.11 O ATOM 546 CG2 THR A 37 36.538 -9.016 -9.609 1.00 33.14 C ATOM 0 H THR A 37 33.696 -10.682 -11.447 1.00 24.33 H new ATOM 0 HA THR A 37 34.046 -9.038 -9.025 1.00 24.03 H new ATOM 0 HB THR A 37 35.437 -7.579 -10.742 1.00 42.10 H new ATOM 0 HG1 THR A 37 36.624 -8.993 -12.187 1.00 53.11 H new ATOM 0 HG21 THR A 37 37.507 -8.690 -9.987 1.00 33.14 H new ATOM 0 HG22 THR A 37 36.332 -8.517 -8.662 1.00 33.14 H new ATOM 0 HG23 THR A 37 36.553 -10.095 -9.455 1.00 33.14 H new ATOM 554 N ARG A 38 32.060 -8.779 -11.428 1.00 11.44 N ATOM 555 CA ARG A 38 30.985 -8.012 -12.046 1.00 41.13 C ATOM 556 C ARG A 38 29.688 -8.815 -12.070 1.00 20.34 C ATOM 557 O ARG A 38 29.667 -9.966 -12.506 1.00 10.14 O ATOM 558 CB ARG A 38 31.373 -7.607 -13.470 1.00 34.32 C ATOM 559 CG ARG A 38 32.056 -6.252 -13.553 1.00 62.30 C ATOM 560 CD ARG A 38 31.048 -5.131 -13.752 1.00 64.23 C ATOM 561 NE ARG A 38 31.623 -4.001 -14.477 1.00 70.14 N ATOM 562 CZ ARG A 38 32.525 -3.177 -13.957 1.00 44.44 C ATOM 563 NH1 ARG A 38 32.954 -3.355 -12.716 1.00 20.54 N ATOM 564 NH2 ARG A 38 33.001 -2.171 -14.680 1.00 42.33 N ATOM 0 H ARG A 38 32.017 -9.783 -11.603 1.00 11.44 H new ATOM 0 HA ARG A 38 30.825 -7.113 -11.450 1.00 41.13 H new ATOM 0 HB2 ARG A 38 32.037 -8.365 -13.886 1.00 34.32 H new ATOM 0 HB3 ARG A 38 30.477 -7.592 -14.091 1.00 34.32 H new ATOM 0 HG2 ARG A 38 32.625 -6.074 -12.640 1.00 62.30 H new ATOM 0 HG3 ARG A 38 32.769 -6.253 -14.378 1.00 62.30 H new ATOM 0 HD2 ARG A 38 30.186 -5.512 -14.299 1.00 64.23 H new ATOM 0 HD3 ARG A 38 30.686 -4.793 -12.781 1.00 64.23 H new ATOM 0 HE ARG A 38 31.315 -3.836 -15.435 1.00 70.14 H new ATOM 0 HH11 ARG A 38 32.591 -4.127 -12.157 1.00 20.54 H new ATOM 0 HH12 ARG A 38 33.647 -2.720 -12.320 1.00 20.54 H new ATOM 0 HH21 ARG A 38 32.674 -2.030 -15.636 1.00 42.33 H new ATOM 0 HH22 ARG A 38 33.694 -1.538 -14.280 1.00 42.33 H new ATOM 578 N MET A 39 28.609 -8.200 -11.597 1.00 73.51 N ATOM 579 CA MET A 39 27.308 -8.858 -11.565 1.00 33.44 C ATOM 580 C MET A 39 26.184 -7.854 -11.803 1.00 25.14 C ATOM 581 O MET A 39 26.427 -6.653 -11.926 1.00 61.45 O ATOM 582 CB MET A 39 27.102 -9.563 -10.222 1.00 52.31 C ATOM 583 CG MET A 39 27.004 -8.608 -9.044 1.00 2.35 C ATOM 584 SD MET A 39 28.618 -8.168 -8.370 1.00 40.14 S ATOM 585 CE MET A 39 28.767 -9.359 -7.041 1.00 73.44 C ATOM 0 H MET A 39 28.610 -7.248 -11.231 1.00 73.51 H new ATOM 0 HA MET A 39 27.284 -9.599 -12.364 1.00 33.44 H new ATOM 0 HB2 MET A 39 26.192 -10.162 -10.271 1.00 52.31 H new ATOM 0 HB3 MET A 39 27.929 -10.253 -10.052 1.00 52.31 H new ATOM 0 HG2 MET A 39 26.486 -7.702 -9.358 1.00 2.35 H new ATOM 0 HG3 MET A 39 26.400 -9.065 -8.260 1.00 2.35 H new ATOM 0 HE1 MET A 39 29.455 -8.978 -6.286 1.00 73.44 H new ATOM 0 HE2 MET A 39 27.789 -9.525 -6.590 1.00 73.44 H new ATOM 0 HE3 MET A 39 29.148 -10.300 -7.437 1.00 73.44 H new ATOM 595 N LYS A 40 24.955 -8.353 -11.866 1.00 15.21 N ATOM 596 CA LYS A 40 23.793 -7.500 -12.088 1.00 41.21 C ATOM 597 C LYS A 40 22.549 -8.094 -11.436 1.00 73.32 C ATOM 598 O LYS A 40 22.376 -9.313 -11.401 1.00 0.30 O ATOM 599 CB LYS A 40 23.554 -7.309 -13.588 1.00 3.34 C ATOM 600 CG LYS A 40 22.920 -8.513 -14.261 1.00 21.41 C ATOM 601 CD LYS A 40 21.404 -8.415 -14.266 1.00 72.21 C ATOM 602 CE LYS A 40 20.894 -7.727 -15.523 1.00 1.10 C ATOM 603 NZ LYS A 40 20.786 -8.673 -16.668 1.00 53.42 N ATOM 0 H LYS A 40 24.737 -9.344 -11.766 1.00 15.21 H new ATOM 0 HA LYS A 40 23.993 -6.531 -11.632 1.00 41.21 H new ATOM 0 HB2 LYS A 40 22.913 -6.440 -13.737 1.00 3.34 H new ATOM 0 HB3 LYS A 40 24.505 -7.091 -14.074 1.00 3.34 H new ATOM 0 HG2 LYS A 40 23.284 -8.592 -15.285 1.00 21.41 H new ATOM 0 HG3 LYS A 40 23.225 -9.423 -13.744 1.00 21.41 H new ATOM 0 HD2 LYS A 40 20.974 -9.414 -14.197 1.00 72.21 H new ATOM 0 HD3 LYS A 40 21.071 -7.863 -13.387 1.00 72.21 H new ATOM 0 HE2 LYS A 40 19.918 -7.284 -15.324 1.00 1.10 H new ATOM 0 HE3 LYS A 40 21.566 -6.911 -15.788 1.00 1.10 H new ATOM 0 HZ1 LYS A 40 20.435 -8.166 -17.505 1.00 53.42 H new ATOM 0 HZ2 LYS A 40 21.722 -9.076 -16.874 1.00 53.42 H new ATOM 0 HZ3 LYS A 40 20.125 -9.438 -16.425 1.00 53.42 H new ATOM 617 N VAL A 41 21.683 -7.226 -10.922 1.00 63.11 N ATOM 618 CA VAL A 41 20.453 -7.665 -10.274 1.00 24.42 C ATOM 619 C VAL A 41 19.241 -6.937 -10.844 1.00 24.40 C ATOM 620 O VAL A 41 19.329 -5.772 -11.230 1.00 3.33 O ATOM 621 CB VAL A 41 20.508 -7.435 -8.752 1.00 10.11 C ATOM 622 CG1 VAL A 41 20.495 -5.947 -8.436 1.00 62.02 C ATOM 623 CG2 VAL A 41 19.351 -8.144 -8.064 1.00 61.23 C ATOM 0 H VAL A 41 21.811 -6.214 -10.942 1.00 63.11 H new ATOM 0 HA VAL A 41 20.356 -8.733 -10.469 1.00 24.42 H new ATOM 0 HB VAL A 41 21.439 -7.855 -8.372 1.00 10.11 H new ATOM 0 HG11 VAL A 41 20.534 -5.804 -7.356 1.00 62.02 H new ATOM 0 HG12 VAL A 41 21.360 -5.470 -8.897 1.00 62.02 H new ATOM 0 HG13 VAL A 41 19.582 -5.500 -8.828 1.00 62.02 H new ATOM 0 HG21 VAL A 41 19.406 -7.971 -6.989 1.00 61.23 H new ATOM 0 HG22 VAL A 41 18.407 -7.756 -8.447 1.00 61.23 H new ATOM 0 HG23 VAL A 41 19.410 -9.214 -8.263 1.00 61.23 H new ATOM 633 N SER A 42 18.110 -7.633 -10.894 1.00 13.32 N ATOM 634 CA SER A 42 16.879 -7.054 -11.420 1.00 42.40 C ATOM 635 C SER A 42 15.687 -7.420 -10.541 1.00 41.11 C ATOM 636 O SER A 42 15.507 -8.580 -10.170 1.00 71.04 O ATOM 637 CB SER A 42 16.637 -7.533 -12.853 1.00 2.52 C ATOM 638 OG SER A 42 17.164 -8.833 -13.052 1.00 2.23 O ATOM 0 H SER A 42 18.020 -8.598 -10.577 1.00 13.32 H new ATOM 0 HA SER A 42 16.988 -5.969 -11.420 1.00 42.40 H new ATOM 0 HB2 SER A 42 15.568 -7.535 -13.063 1.00 2.52 H new ATOM 0 HB3 SER A 42 17.099 -6.839 -13.555 1.00 2.52 H new ATOM 0 HG SER A 42 17.224 -9.297 -12.191 1.00 2.23 H new ATOM 644 N LYS A 43 14.875 -6.422 -10.211 1.00 11.42 N ATOM 645 CA LYS A 43 13.698 -6.636 -9.377 1.00 4.14 C ATOM 646 C LYS A 43 12.484 -5.916 -9.954 1.00 33.02 C ATOM 647 O LYS A 43 12.603 -4.823 -10.507 1.00 62.14 O ATOM 648 CB LYS A 43 13.963 -6.148 -7.950 1.00 64.24 C ATOM 649 CG LYS A 43 15.237 -6.710 -7.342 1.00 73.13 C ATOM 650 CD LYS A 43 15.846 -5.748 -6.336 1.00 50.13 C ATOM 651 CE LYS A 43 17.294 -6.100 -6.034 1.00 64.54 C ATOM 652 NZ LYS A 43 17.402 -7.168 -5.001 1.00 53.24 N ATOM 0 H LYS A 43 15.010 -5.456 -10.509 1.00 11.42 H new ATOM 0 HA LYS A 43 13.488 -7.705 -9.356 1.00 4.14 H new ATOM 0 HB2 LYS A 43 14.021 -5.060 -7.952 1.00 64.24 H new ATOM 0 HB3 LYS A 43 13.118 -6.421 -7.319 1.00 64.24 H new ATOM 0 HG2 LYS A 43 15.020 -7.660 -6.853 1.00 73.13 H new ATOM 0 HG3 LYS A 43 15.958 -6.916 -8.133 1.00 73.13 H new ATOM 0 HD2 LYS A 43 15.791 -4.731 -6.724 1.00 50.13 H new ATOM 0 HD3 LYS A 43 15.265 -5.769 -5.414 1.00 50.13 H new ATOM 0 HE2 LYS A 43 17.786 -6.429 -6.949 1.00 64.54 H new ATOM 0 HE3 LYS A 43 17.820 -5.209 -5.692 1.00 64.54 H new ATOM 0 HZ1 LYS A 43 18.264 -7.725 -5.167 1.00 53.24 H new ATOM 0 HZ2 LYS A 43 17.446 -6.734 -4.057 1.00 53.24 H new ATOM 0 HZ3 LYS A 43 16.571 -7.791 -5.057 1.00 53.24 H new ATOM 666 N SER A 44 11.315 -6.535 -9.819 1.00 63.45 N ATOM 667 CA SER A 44 10.079 -5.954 -10.330 1.00 21.41 C ATOM 668 C SER A 44 8.863 -6.613 -9.686 1.00 71.42 C ATOM 669 O SER A 44 8.995 -7.529 -8.874 1.00 5.15 O ATOM 670 CB SER A 44 10.010 -6.105 -11.851 1.00 32.12 C ATOM 671 OG SER A 44 9.789 -7.455 -12.220 1.00 21.30 O ATOM 0 H SER A 44 11.198 -7.438 -9.360 1.00 63.45 H new ATOM 0 HA SER A 44 10.073 -4.894 -10.077 1.00 21.41 H new ATOM 0 HB2 SER A 44 9.208 -5.481 -12.245 1.00 32.12 H new ATOM 0 HB3 SER A 44 10.939 -5.750 -12.297 1.00 32.12 H new ATOM 0 HG SER A 44 9.747 -7.525 -13.197 1.00 21.30 H new ATOM 677 N CYS A 45 7.677 -6.141 -10.056 1.00 1.24 N ATOM 678 CA CYS A 45 6.436 -6.682 -9.516 1.00 12.15 C ATOM 679 C CYS A 45 5.756 -7.598 -10.529 1.00 33.45 C ATOM 680 O CYS A 45 5.550 -7.222 -11.682 1.00 71.15 O ATOM 681 CB CYS A 45 5.489 -5.547 -9.122 1.00 53.52 C ATOM 682 SG CYS A 45 5.730 -4.932 -7.424 1.00 53.34 S ATOM 0 H CYS A 45 7.550 -5.384 -10.728 1.00 1.24 H new ATOM 0 HA CYS A 45 6.679 -7.267 -8.629 1.00 12.15 H new ATOM 0 HB2 CYS A 45 5.622 -4.719 -9.819 1.00 53.52 H new ATOM 0 HB3 CYS A 45 4.461 -5.892 -9.229 1.00 53.52 H new ATOM 687 N VAL A 46 5.409 -8.804 -10.088 1.00 52.32 N ATOM 688 CA VAL A 46 4.751 -9.774 -10.955 1.00 33.00 C ATOM 689 C VAL A 46 3.709 -10.580 -10.187 1.00 3.24 C ATOM 690 O VAL A 46 3.812 -10.780 -8.976 1.00 64.32 O ATOM 691 CB VAL A 46 5.768 -10.742 -11.588 1.00 40.20 C ATOM 692 CG1 VAL A 46 6.783 -9.978 -12.425 1.00 10.25 C ATOM 693 CG2 VAL A 46 6.462 -11.563 -10.512 1.00 71.41 C ATOM 0 H VAL A 46 5.573 -9.132 -9.136 1.00 52.32 H new ATOM 0 HA VAL A 46 4.258 -9.208 -11.746 1.00 33.00 H new ATOM 0 HB VAL A 46 5.232 -11.426 -12.246 1.00 40.20 H new ATOM 0 HG11 VAL A 46 7.493 -10.678 -12.864 1.00 10.25 H new ATOM 0 HG12 VAL A 46 6.267 -9.438 -13.219 1.00 10.25 H new ATOM 0 HG13 VAL A 46 7.317 -9.269 -11.792 1.00 10.25 H new ATOM 0 HG21 VAL A 46 7.177 -12.242 -10.977 1.00 71.41 H new ATOM 0 HG22 VAL A 46 6.986 -10.896 -9.827 1.00 71.41 H new ATOM 0 HG23 VAL A 46 5.720 -12.140 -9.960 1.00 71.41 H new ATOM 703 N PRO A 47 2.681 -11.055 -10.905 1.00 13.43 N ATOM 704 CA PRO A 47 1.600 -11.848 -10.311 1.00 41.32 C ATOM 705 C PRO A 47 2.067 -13.234 -9.882 1.00 23.14 C ATOM 706 O PRO A 47 1.755 -13.692 -8.782 1.00 41.41 O ATOM 707 CB PRO A 47 0.576 -11.956 -11.444 1.00 1.42 C ATOM 708 CG PRO A 47 1.374 -11.798 -12.692 1.00 72.11 C ATOM 709 CD PRO A 47 2.494 -10.854 -12.352 1.00 34.15 C ATOM 0 HA PRO A 47 1.207 -11.387 -9.405 1.00 41.32 H new ATOM 0 HB2 PRO A 47 0.061 -12.917 -11.422 1.00 1.42 H new ATOM 0 HB3 PRO A 47 -0.188 -11.183 -11.362 1.00 1.42 H new ATOM 0 HG2 PRO A 47 1.763 -12.758 -13.031 1.00 72.11 H new ATOM 0 HG3 PRO A 47 0.760 -11.400 -13.500 1.00 72.11 H new ATOM 0 HD2 PRO A 47 3.400 -11.088 -12.911 1.00 34.15 H new ATOM 0 HD3 PRO A 47 2.234 -9.821 -12.584 1.00 34.15 H new ATOM 717 N ARG A 48 2.817 -13.898 -10.755 1.00 42.12 N ATOM 718 CA ARG A 48 3.327 -15.233 -10.466 1.00 13.12 C ATOM 719 C ARG A 48 4.804 -15.342 -10.832 1.00 70.21 C ATOM 720 O ARG A 48 5.210 -14.976 -11.935 1.00 51.24 O ATOM 721 CB ARG A 48 2.522 -16.286 -11.230 1.00 13.14 C ATOM 722 CG ARG A 48 1.252 -16.719 -10.514 1.00 64.14 C ATOM 723 CD ARG A 48 0.630 -17.939 -11.175 1.00 35.02 C ATOM 724 NE ARG A 48 -0.199 -17.577 -12.322 1.00 32.34 N ATOM 725 CZ ARG A 48 -0.645 -18.456 -13.212 1.00 75.12 C ATOM 726 NH1 ARG A 48 -0.345 -19.741 -13.088 1.00 64.44 N ATOM 727 NH2 ARG A 48 -1.395 -18.050 -14.229 1.00 41.30 N ATOM 0 H ARG A 48 3.085 -13.533 -11.669 1.00 42.12 H new ATOM 0 HA ARG A 48 3.222 -15.411 -9.396 1.00 13.12 H new ATOM 0 HB2 ARG A 48 2.259 -15.889 -12.211 1.00 13.14 H new ATOM 0 HB3 ARG A 48 3.151 -17.160 -11.398 1.00 13.14 H new ATOM 0 HG2 ARG A 48 1.479 -16.944 -9.472 1.00 64.14 H new ATOM 0 HG3 ARG A 48 0.535 -15.898 -10.514 1.00 64.14 H new ATOM 0 HD2 ARG A 48 1.419 -18.618 -11.498 1.00 35.02 H new ATOM 0 HD3 ARG A 48 0.025 -18.477 -10.446 1.00 35.02 H new ATOM 0 HE ARG A 48 -0.449 -16.596 -12.446 1.00 32.34 H new ATOM 0 HH11 ARG A 48 0.230 -20.057 -12.307 1.00 64.44 H new ATOM 0 HH12 ARG A 48 -0.689 -20.414 -13.773 1.00 64.44 H new ATOM 0 HH21 ARG A 48 -1.629 -17.062 -14.327 1.00 41.30 H new ATOM 0 HH22 ARG A 48 -1.737 -18.726 -14.912 1.00 41.30 H new ATOM 741 N CYS A 49 5.604 -15.848 -9.899 1.00 53.01 N ATOM 742 CA CYS A 49 7.036 -16.005 -10.122 1.00 32.01 C ATOM 743 C CYS A 49 7.506 -17.389 -9.684 1.00 71.20 C ATOM 744 O CYS A 49 7.123 -17.879 -8.621 1.00 61.44 O ATOM 745 CB CYS A 49 7.812 -14.927 -9.363 1.00 44.03 C ATOM 746 SG CYS A 49 9.610 -15.214 -9.296 1.00 21.21 S ATOM 0 H CYS A 49 5.284 -16.156 -8.981 1.00 53.01 H new ATOM 0 HA CYS A 49 7.227 -15.897 -11.190 1.00 32.01 H new ATOM 0 HB2 CYS A 49 7.626 -13.961 -9.833 1.00 44.03 H new ATOM 0 HB3 CYS A 49 7.426 -14.865 -8.345 1.00 44.03 H new ATOM 751 N PHE A 50 8.338 -18.014 -10.510 1.00 61.13 N ATOM 752 CA PHE A 50 8.860 -19.342 -10.210 1.00 4.05 C ATOM 753 C PHE A 50 10.356 -19.284 -9.913 1.00 41.12 C ATOM 754 O PHE A 50 11.039 -18.336 -10.300 1.00 10.04 O ATOM 755 CB PHE A 50 8.597 -20.294 -11.378 1.00 42.44 C ATOM 756 CG PHE A 50 7.150 -20.665 -11.535 1.00 23.01 C ATOM 757 CD1 PHE A 50 6.451 -21.237 -10.485 1.00 33.32 C ATOM 758 CD2 PHE A 50 6.490 -20.442 -12.733 1.00 31.45 C ATOM 759 CE1 PHE A 50 5.119 -21.580 -10.625 1.00 40.13 C ATOM 760 CE2 PHE A 50 5.158 -20.782 -12.879 1.00 23.53 C ATOM 761 CZ PHE A 50 4.472 -21.353 -11.824 1.00 64.13 C ATOM 0 H PHE A 50 8.665 -17.622 -11.393 1.00 61.13 H new ATOM 0 HA PHE A 50 8.345 -19.715 -9.324 1.00 4.05 H new ATOM 0 HB2 PHE A 50 8.947 -19.830 -12.300 1.00 42.44 H new ATOM 0 HB3 PHE A 50 9.183 -21.202 -11.235 1.00 42.44 H new ATOM 0 HD1 PHE A 50 6.952 -21.417 -9.546 1.00 33.32 H new ATOM 0 HD2 PHE A 50 7.022 -19.998 -13.561 1.00 31.45 H new ATOM 0 HE1 PHE A 50 4.585 -22.025 -9.798 1.00 40.13 H new ATOM 0 HE2 PHE A 50 4.654 -20.601 -13.817 1.00 23.53 H new ATOM 0 HZ PHE A 50 3.432 -21.621 -11.937 1.00 64.13 H new ATOM 771 N GLU A 51 10.857 -20.305 -9.224 1.00 40.43 N ATOM 772 CA GLU A 51 12.271 -20.369 -8.875 1.00 3.31 C ATOM 773 C GLU A 51 13.086 -20.977 -10.013 1.00 51.20 C ATOM 774 O GLU A 51 12.733 -22.025 -10.554 1.00 72.13 O ATOM 775 CB GLU A 51 12.467 -21.189 -7.598 1.00 43.21 C ATOM 776 CG GLU A 51 11.803 -20.579 -6.375 1.00 72.11 C ATOM 777 CD GLU A 51 12.554 -19.375 -5.843 1.00 2.55 C ATOM 778 OE1 GLU A 51 13.731 -19.532 -5.455 1.00 34.23 O ATOM 779 OE2 GLU A 51 11.965 -18.274 -5.814 1.00 40.40 O ATOM 0 H GLU A 51 10.305 -21.098 -8.897 1.00 40.43 H new ATOM 0 HA GLU A 51 12.623 -19.352 -8.703 1.00 3.31 H new ATOM 0 HB2 GLU A 51 12.069 -22.191 -7.755 1.00 43.21 H new ATOM 0 HB3 GLU A 51 13.534 -21.297 -7.406 1.00 43.21 H new ATOM 0 HG2 GLU A 51 10.785 -20.284 -6.628 1.00 72.11 H new ATOM 0 HG3 GLU A 51 11.731 -21.333 -5.591 1.00 72.11 H new ATOM 786 N THR A 52 14.179 -20.311 -10.372 1.00 51.44 N ATOM 787 CA THR A 52 15.043 -20.783 -11.446 1.00 43.15 C ATOM 788 C THR A 52 16.204 -21.605 -10.897 1.00 53.23 C ATOM 789 O THR A 52 17.234 -21.058 -10.505 1.00 3.51 O ATOM 790 CB THR A 52 15.605 -19.610 -12.272 1.00 61.22 C ATOM 791 OG1 THR A 52 15.799 -18.467 -11.431 1.00 73.44 O ATOM 792 CG2 THR A 52 14.665 -19.253 -13.414 1.00 2.13 C ATOM 0 H THR A 52 14.487 -19.443 -9.934 1.00 51.44 H new ATOM 0 HA THR A 52 14.430 -21.411 -12.092 1.00 43.15 H new ATOM 0 HB THR A 52 16.562 -19.917 -12.693 1.00 61.22 H new ATOM 0 HG1 THR A 52 15.768 -17.652 -11.974 1.00 73.44 H new ATOM 0 HG21 THR A 52 15.083 -18.422 -13.983 1.00 2.13 H new ATOM 0 HG22 THR A 52 14.543 -20.116 -14.068 1.00 2.13 H new ATOM 0 HG23 THR A 52 13.695 -18.964 -13.010 1.00 2.13 H new ATOM 800 N VAL A 53 16.030 -22.922 -10.873 1.00 22.53 N ATOM 801 CA VAL A 53 17.064 -23.821 -10.373 1.00 5.50 C ATOM 802 C VAL A 53 17.168 -25.074 -11.235 1.00 55.31 C ATOM 803 O VAL A 53 16.205 -25.830 -11.368 1.00 13.43 O ATOM 804 CB VAL A 53 16.791 -24.235 -8.915 1.00 4.11 C ATOM 805 CG1 VAL A 53 17.873 -25.182 -8.417 1.00 53.03 C ATOM 806 CG2 VAL A 53 16.694 -23.007 -8.022 1.00 23.21 C ATOM 0 H VAL A 53 15.183 -23.391 -11.194 1.00 22.53 H new ATOM 0 HA VAL A 53 18.006 -23.275 -10.417 1.00 5.50 H new ATOM 0 HB VAL A 53 15.837 -24.760 -8.877 1.00 4.11 H new ATOM 0 HG11 VAL A 53 17.663 -25.464 -7.385 1.00 53.03 H new ATOM 0 HG12 VAL A 53 17.890 -26.076 -9.041 1.00 53.03 H new ATOM 0 HG13 VAL A 53 18.842 -24.686 -8.468 1.00 53.03 H new ATOM 0 HG21 VAL A 53 16.501 -23.318 -6.995 1.00 23.21 H new ATOM 0 HG22 VAL A 53 17.632 -22.452 -8.063 1.00 23.21 H new ATOM 0 HG23 VAL A 53 15.880 -22.369 -8.367 1.00 23.21 H new ATOM 816 N TYR A 54 18.341 -25.288 -11.819 1.00 22.20 N ATOM 817 CA TYR A 54 18.570 -26.449 -12.671 1.00 22.44 C ATOM 818 C TYR A 54 19.984 -26.991 -12.484 1.00 63.15 C ATOM 819 O TYR A 54 20.770 -26.453 -11.704 1.00 15.12 O ATOM 820 CB TYR A 54 18.341 -26.085 -14.138 1.00 51.23 C ATOM 821 CG TYR A 54 18.622 -24.633 -14.453 1.00 12.34 C ATOM 822 CD1 TYR A 54 17.644 -23.662 -14.278 1.00 12.44 C ATOM 823 CD2 TYR A 54 19.866 -24.232 -14.924 1.00 1.13 C ATOM 824 CE1 TYR A 54 17.896 -22.334 -14.564 1.00 61.02 C ATOM 825 CE2 TYR A 54 20.128 -22.906 -15.212 1.00 33.25 C ATOM 826 CZ TYR A 54 19.139 -21.961 -15.031 1.00 24.33 C ATOM 827 OH TYR A 54 19.395 -20.640 -15.316 1.00 1.40 O ATOM 0 H TYR A 54 19.148 -24.673 -11.718 1.00 22.20 H new ATOM 0 HA TYR A 54 17.861 -27.225 -12.382 1.00 22.44 H new ATOM 0 HB2 TYR A 54 18.976 -26.713 -14.763 1.00 51.23 H new ATOM 0 HB3 TYR A 54 17.308 -26.312 -14.403 1.00 51.23 H new ATOM 0 HD1 TYR A 54 16.670 -23.950 -13.912 1.00 12.44 H new ATOM 0 HD2 TYR A 54 20.642 -24.969 -15.068 1.00 1.13 H new ATOM 0 HE1 TYR A 54 17.124 -21.592 -14.423 1.00 61.02 H new ATOM 0 HE2 TYR A 54 21.101 -22.611 -15.577 1.00 33.25 H new ATOM 0 HH TYR A 54 20.177 -20.578 -15.903 1.00 1.40 H new ATOM 837 N ASP A 55 20.301 -28.059 -13.208 1.00 23.22 N ATOM 838 CA ASP A 55 21.621 -28.674 -13.125 1.00 71.41 C ATOM 839 C ASP A 55 21.905 -29.520 -14.363 1.00 10.50 C ATOM 840 O ASP A 55 21.667 -30.726 -14.371 1.00 73.42 O ATOM 841 CB ASP A 55 21.727 -29.538 -11.867 1.00 75.24 C ATOM 842 CG ASP A 55 20.480 -30.368 -11.629 1.00 24.04 C ATOM 843 OD1 ASP A 55 19.766 -30.663 -12.610 1.00 43.31 O ATOM 844 OD2 ASP A 55 20.220 -30.724 -10.460 1.00 53.45 O ATOM 0 H ASP A 55 19.662 -28.517 -13.859 1.00 23.22 H new ATOM 0 HA ASP A 55 22.363 -27.877 -13.073 1.00 71.41 H new ATOM 0 HB2 ASP A 55 22.589 -30.199 -11.955 1.00 75.24 H new ATOM 0 HB3 ASP A 55 21.904 -28.897 -11.003 1.00 75.24 H new ATOM 849 N GLY A 56 22.415 -28.876 -15.409 1.00 2.13 N ATOM 850 CA GLY A 56 22.722 -29.584 -16.638 1.00 1.41 C ATOM 851 C GLY A 56 21.746 -29.261 -17.752 1.00 3.40 C ATOM 852 O GLY A 56 21.173 -30.161 -18.365 1.00 62.43 O ATOM 0 H GLY A 56 22.621 -27.877 -15.427 1.00 2.13 H new ATOM 0 HA2 GLY A 56 23.732 -29.328 -16.958 1.00 1.41 H new ATOM 0 HA3 GLY A 56 22.710 -30.657 -16.448 1.00 1.41 H new ATOM 856 N TYR A 57 21.555 -27.972 -18.014 1.00 23.43 N ATOM 857 CA TYR A 57 20.639 -27.533 -19.059 1.00 14.43 C ATOM 858 C TYR A 57 21.044 -26.165 -19.599 1.00 43.30 C ATOM 859 O TYR A 57 20.973 -25.914 -20.802 1.00 41.10 O ATOM 860 CB TYR A 57 19.208 -27.477 -18.521 1.00 13.00 C ATOM 861 CG TYR A 57 18.553 -28.835 -18.400 1.00 50.54 C ATOM 862 CD1 TYR A 57 18.277 -29.597 -19.528 1.00 61.43 C ATOM 863 CD2 TYR A 57 18.211 -29.355 -17.158 1.00 41.31 C ATOM 864 CE1 TYR A 57 17.678 -30.838 -19.423 1.00 3.23 C ATOM 865 CE2 TYR A 57 17.613 -30.595 -17.043 1.00 3.22 C ATOM 866 CZ TYR A 57 17.349 -31.332 -18.178 1.00 35.30 C ATOM 867 OH TYR A 57 16.753 -32.568 -18.068 1.00 62.15 O ATOM 0 H TYR A 57 22.022 -27.214 -17.517 1.00 23.43 H new ATOM 0 HA TYR A 57 20.686 -28.254 -19.875 1.00 14.43 H new ATOM 0 HB2 TYR A 57 19.215 -26.998 -17.542 1.00 13.00 H new ATOM 0 HB3 TYR A 57 18.606 -26.850 -19.178 1.00 13.00 H new ATOM 0 HD1 TYR A 57 18.535 -29.213 -20.504 1.00 61.43 H new ATOM 0 HD2 TYR A 57 18.416 -28.780 -16.267 1.00 41.31 H new ATOM 0 HE1 TYR A 57 17.469 -31.417 -20.310 1.00 3.23 H new ATOM 0 HE2 TYR A 57 17.354 -30.985 -16.070 1.00 3.22 H new ATOM 0 HH TYR A 57 16.587 -32.768 -17.123 1.00 62.15 H new ATOM 877 N SER A 58 21.471 -25.283 -18.700 1.00 31.50 N ATOM 878 CA SER A 58 21.886 -23.939 -19.084 1.00 74.32 C ATOM 879 C SER A 58 22.751 -23.307 -17.999 1.00 0.34 C ATOM 880 O SER A 58 23.210 -23.985 -17.080 1.00 30.35 O ATOM 881 CB SER A 58 20.661 -23.062 -19.352 1.00 2.00 C ATOM 882 OG SER A 58 19.987 -22.746 -18.146 1.00 52.14 O ATOM 0 H SER A 58 21.538 -25.476 -17.701 1.00 31.50 H new ATOM 0 HA SER A 58 22.477 -24.014 -19.997 1.00 74.32 H new ATOM 0 HB2 SER A 58 20.969 -22.144 -19.851 1.00 2.00 H new ATOM 0 HB3 SER A 58 19.980 -23.579 -20.028 1.00 2.00 H new ATOM 0 HG SER A 58 20.345 -23.295 -17.418 1.00 52.14 H new ATOM 888 N LYS A 59 22.970 -22.001 -18.112 1.00 22.13 N ATOM 889 CA LYS A 59 23.779 -21.274 -17.141 1.00 1.32 C ATOM 890 C LYS A 59 23.016 -21.078 -15.835 1.00 0.23 C ATOM 891 O LYS A 59 21.932 -20.493 -15.819 1.00 22.31 O ATOM 892 CB LYS A 59 24.196 -19.915 -17.709 1.00 72.21 C ATOM 893 CG LYS A 59 23.031 -18.966 -17.931 1.00 42.32 C ATOM 894 CD LYS A 59 23.288 -18.032 -19.102 1.00 63.33 C ATOM 895 CE LYS A 59 22.782 -18.625 -20.409 1.00 4.33 C ATOM 896 NZ LYS A 59 22.906 -17.663 -21.539 1.00 12.45 N ATOM 0 H LYS A 59 22.598 -21.424 -18.867 1.00 22.13 H new ATOM 0 HA LYS A 59 24.672 -21.864 -16.935 1.00 1.32 H new ATOM 0 HB2 LYS A 59 24.909 -19.449 -17.028 1.00 72.21 H new ATOM 0 HB3 LYS A 59 24.714 -20.069 -18.656 1.00 72.21 H new ATOM 0 HG2 LYS A 59 22.123 -19.540 -18.115 1.00 42.32 H new ATOM 0 HG3 LYS A 59 22.860 -18.380 -17.028 1.00 42.32 H new ATOM 0 HD2 LYS A 59 22.797 -17.076 -18.921 1.00 63.33 H new ATOM 0 HD3 LYS A 59 24.356 -17.832 -19.182 1.00 63.33 H new ATOM 0 HE2 LYS A 59 23.344 -19.530 -20.639 1.00 4.33 H new ATOM 0 HE3 LYS A 59 21.739 -18.919 -20.295 1.00 4.33 H new ATOM 0 HZ1 LYS A 59 22.551 -18.104 -22.411 1.00 12.45 H new ATOM 0 HZ2 LYS A 59 22.349 -16.810 -21.331 1.00 12.45 H new ATOM 0 HZ3 LYS A 59 23.905 -17.402 -21.665 1.00 12.45 H new ATOM 910 N HIS A 60 23.589 -21.569 -14.740 1.00 40.23 N ATOM 911 CA HIS A 60 22.963 -21.445 -13.429 1.00 21.44 C ATOM 912 C HIS A 60 23.550 -20.268 -12.655 1.00 72.33 C ATOM 913 O HIS A 60 23.592 -20.280 -11.425 1.00 74.34 O ATOM 914 CB HIS A 60 23.145 -22.737 -12.630 1.00 54.41 C ATOM 915 CG HIS A 60 24.578 -23.125 -12.437 1.00 61.35 C ATOM 916 ND1 HIS A 60 25.192 -24.121 -13.167 1.00 24.42 N ATOM 917 CD2 HIS A 60 25.520 -22.644 -11.593 1.00 20.22 C ATOM 918 CE1 HIS A 60 26.450 -24.237 -12.778 1.00 35.42 C ATOM 919 NE2 HIS A 60 26.674 -23.352 -11.824 1.00 11.12 N ATOM 0 H HIS A 60 24.485 -22.056 -14.735 1.00 40.23 H new ATOM 0 HA HIS A 60 21.898 -21.264 -13.578 1.00 21.44 H new ATOM 0 HB2 HIS A 60 22.674 -22.620 -11.654 1.00 54.41 H new ATOM 0 HB3 HIS A 60 22.624 -23.547 -13.141 1.00 54.41 H new ATOM 0 HD2 HIS A 60 25.389 -21.851 -10.872 1.00 20.22 H new ATOM 0 HE1 HIS A 60 27.172 -24.937 -13.173 1.00 35.42 H new ATOM 0 HE2 HIS A 60 27.560 -23.216 -11.338 1.00 11.12 H new ATOM 927 N ALA A 61 24.002 -19.254 -13.385 1.00 5.12 N ATOM 928 CA ALA A 61 24.585 -18.069 -12.767 1.00 64.23 C ATOM 929 C ALA A 61 23.516 -17.026 -12.462 1.00 74.24 C ATOM 930 O ALA A 61 23.826 -15.871 -12.172 1.00 62.01 O ATOM 931 CB ALA A 61 25.659 -17.479 -13.669 1.00 5.53 C ATOM 0 H ALA A 61 23.976 -19.229 -14.404 1.00 5.12 H new ATOM 0 HA ALA A 61 25.042 -18.369 -11.824 1.00 64.23 H new ATOM 0 HB1 ALA A 61 26.086 -16.595 -13.196 1.00 5.53 H new ATOM 0 HB2 ALA A 61 26.443 -18.218 -13.832 1.00 5.53 H new ATOM 0 HB3 ALA A 61 25.218 -17.201 -14.626 1.00 5.53 H new ATOM 937 N SER A 62 22.255 -17.441 -12.531 1.00 74.01 N ATOM 938 CA SER A 62 21.138 -16.541 -12.267 1.00 3.13 C ATOM 939 C SER A 62 20.120 -17.196 -11.338 1.00 62.14 C ATOM 940 O SER A 62 19.654 -18.307 -11.593 1.00 70.21 O ATOM 941 CB SER A 62 20.462 -16.134 -13.577 1.00 44.24 C ATOM 942 OG SER A 62 19.421 -17.033 -13.915 1.00 35.23 O ATOM 0 H SER A 62 21.981 -18.395 -12.767 1.00 74.01 H new ATOM 0 HA SER A 62 21.530 -15.650 -11.777 1.00 3.13 H new ATOM 0 HB2 SER A 62 20.060 -15.125 -13.484 1.00 44.24 H new ATOM 0 HB3 SER A 62 21.200 -16.110 -14.379 1.00 44.24 H new ATOM 0 HG SER A 62 19.479 -17.830 -13.347 1.00 35.23 H new ATOM 948 N THR A 63 19.779 -16.499 -10.259 1.00 32.43 N ATOM 949 CA THR A 63 18.817 -17.012 -9.291 1.00 24.12 C ATOM 950 C THR A 63 17.607 -16.092 -9.178 1.00 70.40 C ATOM 951 O THR A 63 17.726 -14.940 -8.760 1.00 32.24 O ATOM 952 CB THR A 63 19.455 -17.176 -7.898 1.00 41.32 C ATOM 953 OG1 THR A 63 20.181 -15.992 -7.549 1.00 53.45 O ATOM 954 CG2 THR A 63 20.389 -18.376 -7.868 1.00 70.23 C ATOM 0 H THR A 63 20.154 -15.578 -10.033 1.00 32.43 H new ATOM 0 HA THR A 63 18.495 -17.989 -9.652 1.00 24.12 H new ATOM 0 HB THR A 63 18.656 -17.339 -7.174 1.00 41.32 H new ATOM 0 HG1 THR A 63 20.582 -16.104 -6.662 1.00 53.45 H new ATOM 0 HG21 THR A 63 20.827 -18.471 -6.875 1.00 70.23 H new ATOM 0 HG22 THR A 63 19.828 -19.280 -8.105 1.00 70.23 H new ATOM 0 HG23 THR A 63 21.182 -18.238 -8.603 1.00 70.23 H new ATOM 962 N THR A 64 16.440 -16.608 -9.553 1.00 64.13 N ATOM 963 CA THR A 64 15.208 -15.833 -9.495 1.00 13.14 C ATOM 964 C THR A 64 14.437 -16.122 -8.211 1.00 41.35 C ATOM 965 O THR A 64 13.879 -17.206 -8.042 1.00 51.40 O ATOM 966 CB THR A 64 14.300 -16.129 -10.703 1.00 73.21 C ATOM 967 OG1 THR A 64 15.051 -16.025 -11.918 1.00 0.14 O ATOM 968 CG2 THR A 64 13.123 -15.166 -10.745 1.00 32.34 C ATOM 0 H THR A 64 16.323 -17.560 -9.900 1.00 64.13 H new ATOM 0 HA THR A 64 15.495 -14.782 -9.515 1.00 13.14 H new ATOM 0 HB THR A 64 13.915 -17.144 -10.600 1.00 73.21 H new ATOM 0 HG1 THR A 64 14.467 -16.216 -12.681 1.00 0.14 H new ATOM 0 HG21 THR A 64 12.496 -15.395 -11.607 1.00 32.34 H new ATOM 0 HG22 THR A 64 12.536 -15.268 -9.832 1.00 32.34 H new ATOM 0 HG23 THR A 64 13.492 -14.144 -10.826 1.00 32.34 H new ATOM 976 N SER A 65 14.410 -15.145 -7.310 1.00 70.03 N ATOM 977 CA SER A 65 13.710 -15.296 -6.040 1.00 73.02 C ATOM 978 C SER A 65 12.287 -14.754 -6.137 1.00 33.43 C ATOM 979 O SER A 65 12.023 -13.794 -6.861 1.00 2.45 O ATOM 980 CB SER A 65 14.469 -14.572 -4.926 1.00 75.51 C ATOM 981 OG SER A 65 13.829 -14.751 -3.674 1.00 54.43 O ATOM 0 H SER A 65 14.865 -14.241 -7.436 1.00 70.03 H new ATOM 0 HA SER A 65 13.660 -16.359 -5.804 1.00 73.02 H new ATOM 0 HB2 SER A 65 15.490 -14.949 -4.873 1.00 75.51 H new ATOM 0 HB3 SER A 65 14.533 -13.509 -5.157 1.00 75.51 H new ATOM 0 HG SER A 65 14.334 -14.280 -2.978 1.00 54.43 H new ATOM 987 N CYS A 66 11.372 -15.378 -5.402 1.00 0.14 N ATOM 988 CA CYS A 66 9.975 -14.961 -5.403 1.00 1.21 C ATOM 989 C CYS A 66 9.406 -14.961 -3.987 1.00 70.20 C ATOM 990 O CYS A 66 9.654 -15.881 -3.207 1.00 33.04 O ATOM 991 CB CYS A 66 9.146 -15.884 -6.298 1.00 22.42 C ATOM 992 SG CYS A 66 10.016 -16.443 -7.798 1.00 31.22 S ATOM 0 H CYS A 66 11.573 -16.175 -4.798 1.00 0.14 H new ATOM 0 HA CYS A 66 9.925 -13.945 -5.795 1.00 1.21 H new ATOM 0 HB2 CYS A 66 8.843 -16.757 -5.720 1.00 22.42 H new ATOM 0 HB3 CYS A 66 8.234 -15.364 -6.592 1.00 22.42 H new ATOM 997 N CYS A 67 8.642 -13.924 -3.662 1.00 52.23 N ATOM 998 CA CYS A 67 8.037 -13.803 -2.341 1.00 51.24 C ATOM 999 C CYS A 67 6.718 -13.039 -2.415 1.00 10.20 C ATOM 1000 O CYS A 67 6.295 -12.615 -3.490 1.00 12.30 O ATOM 1001 CB CYS A 67 8.996 -13.096 -1.381 1.00 54.22 C ATOM 1002 SG CYS A 67 10.029 -11.819 -2.169 1.00 11.34 S ATOM 0 H CYS A 67 8.427 -13.154 -4.296 1.00 52.23 H new ATOM 0 HA CYS A 67 7.835 -14.807 -1.968 1.00 51.24 H new ATOM 0 HB2 CYS A 67 8.418 -12.637 -0.579 1.00 54.22 H new ATOM 0 HB3 CYS A 67 9.645 -13.840 -0.920 1.00 54.22 H new ATOM 1007 N GLN A 68 6.075 -12.868 -1.265 1.00 14.44 N ATOM 1008 CA GLN A 68 4.804 -12.155 -1.199 1.00 61.31 C ATOM 1009 C GLN A 68 4.795 -11.165 -0.040 1.00 15.35 C ATOM 1010 O GLN A 68 3.755 -10.595 0.295 1.00 64.11 O ATOM 1011 CB GLN A 68 3.647 -13.145 -1.049 1.00 65.14 C ATOM 1012 CG GLN A 68 2.298 -12.567 -1.443 1.00 35.41 C ATOM 1013 CD GLN A 68 1.151 -13.178 -0.662 1.00 21.44 C ATOM 1014 OE1 GLN A 68 0.926 -14.388 -0.711 1.00 22.12 O ATOM 1015 NE2 GLN A 68 0.418 -12.343 0.066 1.00 63.24 N ATOM 0 H GLN A 68 6.412 -13.213 -0.366 1.00 14.44 H new ATOM 0 HA GLN A 68 4.679 -11.599 -2.128 1.00 61.31 H new ATOM 0 HB2 GLN A 68 3.850 -14.024 -1.662 1.00 65.14 H new ATOM 0 HB3 GLN A 68 3.600 -13.482 -0.014 1.00 65.14 H new ATOM 0 HG2 GLN A 68 2.308 -11.489 -1.283 1.00 35.41 H new ATOM 0 HG3 GLN A 68 2.134 -12.729 -2.508 1.00 35.41 H new ATOM 0 HE21 GLN A 68 0.640 -11.347 0.078 1.00 63.24 H new ATOM 0 HE22 GLN A 68 -0.366 -12.697 0.613 1.00 63.24 H new ATOM 1024 N TYR A 69 5.957 -10.964 0.570 1.00 25.32 N ATOM 1025 CA TYR A 69 6.082 -10.044 1.695 1.00 64.54 C ATOM 1026 C TYR A 69 6.572 -8.677 1.228 1.00 51.11 C ATOM 1027 O TYR A 69 7.335 -8.573 0.268 1.00 42.24 O ATOM 1028 CB TYR A 69 7.043 -10.612 2.741 1.00 33.40 C ATOM 1029 CG TYR A 69 7.484 -9.598 3.771 1.00 4.14 C ATOM 1030 CD1 TYR A 69 6.567 -9.008 4.633 1.00 63.35 C ATOM 1031 CD2 TYR A 69 8.820 -9.230 3.884 1.00 15.24 C ATOM 1032 CE1 TYR A 69 6.967 -8.080 5.575 1.00 74.42 C ATOM 1033 CE2 TYR A 69 9.228 -8.304 4.825 1.00 41.23 C ATOM 1034 CZ TYR A 69 8.298 -7.732 5.667 1.00 12.42 C ATOM 1035 OH TYR A 69 8.700 -6.809 6.606 1.00 53.25 O ATOM 0 H TYR A 69 6.827 -11.426 0.305 1.00 25.32 H new ATOM 0 HA TYR A 69 5.096 -9.923 2.144 1.00 64.54 H new ATOM 0 HB2 TYR A 69 6.561 -11.448 3.249 1.00 33.40 H new ATOM 0 HB3 TYR A 69 7.923 -11.010 2.236 1.00 33.40 H new ATOM 0 HD1 TYR A 69 5.524 -9.280 4.565 1.00 63.35 H new ATOM 0 HD2 TYR A 69 9.551 -9.675 3.225 1.00 15.24 H new ATOM 0 HE1 TYR A 69 6.241 -7.630 6.236 1.00 74.42 H new ATOM 0 HE2 TYR A 69 10.270 -8.030 4.901 1.00 41.23 H new ATOM 0 HH TYR A 69 9.669 -6.676 6.540 1.00 53.25 H new ATOM 1045 N ASP A 70 6.127 -7.631 1.915 1.00 3.33 N ATOM 1046 CA ASP A 70 6.520 -6.269 1.574 1.00 43.51 C ATOM 1047 C ASP A 70 8.035 -6.104 1.654 1.00 52.24 C ATOM 1048 O ASP A 70 8.666 -6.530 2.622 1.00 43.24 O ATOM 1049 CB ASP A 70 5.836 -5.268 2.507 1.00 23.53 C ATOM 1050 CG ASP A 70 4.326 -5.296 2.379 1.00 71.31 C ATOM 1051 OD1 ASP A 70 3.814 -4.911 1.306 1.00 21.45 O ATOM 1052 OD2 ASP A 70 3.656 -5.704 3.350 1.00 12.34 O ATOM 0 H ASP A 70 5.494 -7.700 2.712 1.00 3.33 H new ATOM 0 HA ASP A 70 6.204 -6.073 0.549 1.00 43.51 H new ATOM 0 HB2 ASP A 70 6.114 -5.488 3.538 1.00 23.53 H new ATOM 0 HB3 ASP A 70 6.198 -4.264 2.286 1.00 23.53 H new ATOM 1057 N LEU A 71 8.612 -5.485 0.630 1.00 40.51 N ATOM 1058 CA LEU A 71 10.053 -5.264 0.583 1.00 63.20 C ATOM 1059 C LEU A 71 10.811 -6.550 0.897 1.00 63.11 C ATOM 1060 O LEU A 71 11.895 -6.518 1.480 1.00 4.11 O ATOM 1061 CB LEU A 71 10.454 -4.168 1.572 1.00 30.20 C ATOM 1062 CG LEU A 71 9.605 -2.897 1.545 1.00 14.15 C ATOM 1063 CD1 LEU A 71 10.231 -1.818 2.416 1.00 72.34 C ATOM 1064 CD2 LEU A 71 9.433 -2.400 0.117 1.00 1.15 C ATOM 0 H LEU A 71 8.104 -5.127 -0.179 1.00 40.51 H new ATOM 0 HA LEU A 71 10.314 -4.947 -0.427 1.00 63.20 H new ATOM 0 HB2 LEU A 71 10.418 -4.584 2.579 1.00 30.20 H new ATOM 0 HB3 LEU A 71 11.491 -3.893 1.378 1.00 30.20 H new ATOM 0 HG LEU A 71 8.620 -3.133 1.947 1.00 14.15 H new ATOM 0 HD11 LEU A 71 9.613 -0.921 2.384 1.00 72.34 H new ATOM 0 HD12 LEU A 71 10.300 -2.175 3.444 1.00 72.34 H new ATOM 0 HD13 LEU A 71 11.229 -1.584 2.045 1.00 72.34 H new ATOM 0 HD21 LEU A 71 8.826 -1.495 0.117 1.00 1.15 H new ATOM 0 HD22 LEU A 71 10.411 -2.181 -0.312 1.00 1.15 H new ATOM 0 HD23 LEU A 71 8.939 -3.168 -0.478 1.00 1.15 H new ATOM 1076 N CYS A 72 10.235 -7.681 0.505 1.00 70.35 N ATOM 1077 CA CYS A 72 10.856 -8.979 0.742 1.00 51.22 C ATOM 1078 C CYS A 72 12.143 -9.122 -0.066 1.00 13.11 C ATOM 1079 O CYS A 72 13.053 -9.852 0.323 1.00 43.04 O ATOM 1080 CB CYS A 72 9.886 -10.105 0.380 1.00 31.43 C ATOM 1081 SG CYS A 72 9.398 -10.132 -1.375 1.00 22.23 S ATOM 0 H CYS A 72 9.338 -7.725 0.021 1.00 70.35 H new ATOM 0 HA CYS A 72 11.103 -9.048 1.801 1.00 51.22 H new ATOM 0 HB2 CYS A 72 10.345 -11.061 0.633 1.00 31.43 H new ATOM 0 HB3 CYS A 72 8.990 -10.009 0.994 1.00 31.43 H new ATOM 1086 N ASN A 73 12.209 -8.419 -1.192 1.00 3.21 N ATOM 1087 CA ASN A 73 13.384 -8.467 -2.055 1.00 31.41 C ATOM 1088 C ASN A 73 14.346 -7.330 -1.728 1.00 43.53 C ATOM 1089 O ASN A 73 15.112 -6.886 -2.583 1.00 1.43 O ATOM 1090 CB ASN A 73 12.966 -8.391 -3.525 1.00 1.12 C ATOM 1091 CG ASN A 73 12.232 -7.105 -3.851 1.00 12.21 C ATOM 1092 OD1 ASN A 73 11.797 -6.381 -2.955 1.00 52.01 O ATOM 1093 ND2 ASN A 73 12.090 -6.815 -5.139 1.00 43.21 N ATOM 0 H ASN A 73 11.463 -7.810 -1.528 1.00 3.21 H new ATOM 0 HA ASN A 73 13.896 -9.413 -1.878 1.00 31.41 H new ATOM 0 HB2 ASN A 73 13.851 -8.471 -4.156 1.00 1.12 H new ATOM 0 HB3 ASN A 73 12.327 -9.241 -3.763 1.00 1.12 H new ATOM 0 HD21 ASN A 73 11.604 -5.963 -5.419 1.00 43.21 H new ATOM 0 HD22 ASN A 73 12.467 -7.444 -5.848 1.00 43.21 H new ATOM 1100 N GLY A 74 14.301 -6.862 -0.484 1.00 63.03 N ATOM 1101 CA GLY A 74 15.174 -5.781 -0.066 1.00 50.52 C ATOM 1102 C GLY A 74 16.565 -6.264 0.293 1.00 10.12 C ATOM 1103 O GLY A 74 17.391 -6.508 -0.586 1.00 72.43 O ATOM 0 H GLY A 74 13.675 -7.212 0.241 1.00 63.03 H new ATOM 0 HA2 GLY A 74 15.244 -5.045 -0.867 1.00 50.52 H new ATOM 0 HA3 GLY A 74 14.735 -5.276 0.794 1.00 50.52 H new TER 1107 GLY A 74