USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 607 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 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 70:sc= 0.426 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.044 USER MOD Single : A 19 THR OG1 : rot -77:sc= 1.21 USER MOD Single : A 25 SER OG : rot 179:sc= 0.115 USER MOD Single : A 27 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.25) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 50 ASN : amide:sc= -0.736 X(o=-0.74,f=-0.8) USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.416) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -54:sc= 0.0222 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.695 K(o=-0.7,f=-3.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.9) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 46:sc= 1.21 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 160:sc= -0.0644 USER MOD Single : A 87 ASN : amide:sc=-0.00111 K(o=-0.0011,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.369 0.225 0.763 1.00 0.00 N ATOM 2 CA ALA A 1 2.181 0.123 -0.444 1.00 0.00 C ATOM 3 C ALA A 1 2.919 1.428 -0.721 1.00 0.00 C ATOM 4 O ALA A 1 2.298 2.475 -0.909 1.00 0.00 O ATOM 5 CB ALA A 1 1.312 -0.257 -1.634 1.00 0.00 C ATOM 0 H1 ALA A 1 0.878 -0.677 0.928 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.981 0.440 1.576 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.668 0.985 0.647 1.00 0.00 H new ATOM 0 HA ALA A 1 2.925 -0.658 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.931 -0.330 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.835 -1.218 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.547 0.505 -1.784 1.00 0.00 H new ATOM 11 N ILE A 2 4.246 1.359 -0.743 1.00 0.00 N ATOM 12 CA ILE A 2 5.067 2.536 -0.997 1.00 0.00 C ATOM 13 C ILE A 2 5.032 2.923 -2.472 1.00 0.00 C ATOM 14 O ILE A 2 5.428 2.143 -3.338 1.00 0.00 O ATOM 15 CB ILE A 2 6.530 2.304 -0.574 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.612 2.037 0.931 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.387 3.502 -0.952 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.419 0.583 1.298 1.00 0.00 C ATOM 0 H ILE A 2 4.775 0.501 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 2 4.649 3.347 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 2 6.911 1.429 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.583 2.370 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.856 2.635 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.418 3.323 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.349 3.651 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.009 4.393 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.490 0.468 2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.437 0.250 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.191 -0.019 0.818 1.00 0.00 H new ATOM 30 N SER A 3 4.557 4.132 -2.750 1.00 0.00 N ATOM 31 CA SER A 3 4.468 4.623 -4.120 1.00 0.00 C ATOM 32 C SER A 3 5.689 5.465 -4.476 1.00 0.00 C ATOM 33 O SER A 3 6.580 5.015 -5.197 1.00 0.00 O ATOM 34 CB SER A 3 3.193 5.448 -4.307 1.00 0.00 C ATOM 35 OG SER A 3 3.169 6.067 -5.582 1.00 0.00 O ATOM 0 H SER A 3 4.227 4.790 -2.044 1.00 0.00 H new ATOM 0 HA SER A 3 4.436 3.761 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.320 4.805 -4.195 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.131 6.209 -3.529 1.00 0.00 H new ATOM 0 HG SER A 3 2.344 6.587 -5.678 1.00 0.00 H new ATOM 41 N CYS A 4 5.724 6.691 -3.964 1.00 0.00 N ATOM 42 CA CYS A 4 6.834 7.599 -4.227 1.00 0.00 C ATOM 43 C CYS A 4 6.669 8.900 -3.447 1.00 0.00 C ATOM 44 O CYS A 4 7.635 9.445 -2.916 1.00 0.00 O ATOM 45 CB CYS A 4 6.933 7.897 -5.724 1.00 0.00 C ATOM 46 SG CYS A 4 8.627 7.809 -6.389 1.00 0.00 S ATOM 0 H CYS A 4 4.996 7.079 -3.364 1.00 0.00 H new ATOM 0 HA CYS A 4 7.753 7.114 -3.899 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.304 7.191 -6.266 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.531 8.892 -5.913 1.00 0.00 H new ATOM 51 N GLY A 5 5.435 9.392 -3.383 1.00 0.00 N ATOM 52 CA GLY A 5 5.165 10.625 -2.666 1.00 0.00 C ATOM 53 C GLY A 5 5.636 10.574 -1.226 1.00 0.00 C ATOM 54 O GLY A 5 6.030 11.593 -0.659 1.00 0.00 O ATOM 0 H GLY A 5 4.618 8.959 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.656 11.453 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.094 10.827 -2.688 1.00 0.00 H new ATOM 58 N ALA A 6 5.593 9.386 -0.633 1.00 0.00 N ATOM 59 CA ALA A 6 6.019 9.206 0.749 1.00 0.00 C ATOM 60 C ALA A 6 7.540 9.181 0.856 1.00 0.00 C ATOM 61 O ALA A 6 8.108 9.605 1.862 1.00 0.00 O ATOM 62 CB ALA A 6 5.426 7.927 1.322 1.00 0.00 C ATOM 0 H ALA A 6 5.267 8.533 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 6 5.654 10.054 1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.753 7.805 2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.338 7.984 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.762 7.074 0.732 1.00 0.00 H new ATOM 68 N VAL A 7 8.194 8.680 -0.187 1.00 0.00 N ATOM 69 CA VAL A 7 9.649 8.600 -0.210 1.00 0.00 C ATOM 70 C VAL A 7 10.272 9.973 -0.434 1.00 0.00 C ATOM 71 O VAL A 7 11.296 10.308 0.163 1.00 0.00 O ATOM 72 CB VAL A 7 10.141 7.640 -1.311 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.643 7.429 -1.203 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.401 6.314 -1.230 1.00 0.00 C ATOM 0 H VAL A 7 7.739 8.323 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 7 9.960 8.217 0.762 1.00 0.00 H new ATOM 0 HB VAL A 7 9.930 8.089 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.972 6.749 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.154 8.386 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.881 7.001 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.761 5.648 -2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.579 5.857 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.332 6.485 -1.361 1.00 0.00 H new ATOM 84 N THR A 8 9.647 10.767 -1.298 1.00 0.00 N ATOM 85 CA THR A 8 10.140 12.105 -1.601 1.00 0.00 C ATOM 86 C THR A 8 9.936 13.047 -0.420 1.00 0.00 C ATOM 87 O THR A 8 10.663 14.027 -0.263 1.00 0.00 O ATOM 88 CB THR A 8 9.439 12.694 -2.840 1.00 0.00 C ATOM 89 OG1 THR A 8 9.263 11.677 -3.833 1.00 0.00 O ATOM 90 CG2 THR A 8 10.246 13.844 -3.423 1.00 0.00 C ATOM 0 H THR A 8 8.798 10.506 -1.800 1.00 0.00 H new ATOM 0 HA THR A 8 11.206 12.010 -1.806 1.00 0.00 H new ATOM 0 HB THR A 8 8.465 13.074 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.586 11.037 -3.529 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.731 14.244 -4.297 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.354 14.629 -2.675 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.232 13.484 -3.716 1.00 0.00 H new ATOM 98 N SER A 9 8.942 12.743 0.409 1.00 0.00 N ATOM 99 CA SER A 9 8.640 13.565 1.575 1.00 0.00 C ATOM 100 C SER A 9 9.813 13.574 2.550 1.00 0.00 C ATOM 101 O SER A 9 10.248 14.632 3.005 1.00 0.00 O ATOM 102 CB SER A 9 7.382 13.050 2.277 1.00 0.00 C ATOM 103 OG SER A 9 6.682 14.107 2.909 1.00 0.00 O ATOM 0 H SER A 9 8.332 11.933 0.295 1.00 0.00 H new ATOM 0 HA SER A 9 8.464 14.585 1.234 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.731 12.561 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.657 12.298 3.017 1.00 0.00 H new ATOM 0 HG SER A 9 5.881 13.752 3.349 1.00 0.00 H new ATOM 109 N ASP A 10 10.320 12.388 2.868 1.00 0.00 N ATOM 110 CA ASP A 10 11.443 12.258 3.789 1.00 0.00 C ATOM 111 C ASP A 10 12.756 12.617 3.099 1.00 0.00 C ATOM 112 O ASP A 10 13.774 12.837 3.756 1.00 0.00 O ATOM 113 CB ASP A 10 11.516 10.833 4.341 1.00 0.00 C ATOM 114 CG ASP A 10 10.148 10.190 4.464 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.213 10.871 4.935 1.00 0.00 O ATOM 116 OD2 ASP A 10 10.014 9.007 4.089 1.00 0.00 O ATOM 0 H ASP A 10 9.971 11.502 2.501 1.00 0.00 H new ATOM 0 HA ASP A 10 11.285 12.952 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.143 10.225 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.996 10.849 5.319 1.00 0.00 H new ATOM 121 N LEU A 11 12.725 12.673 1.772 1.00 0.00 N ATOM 122 CA LEU A 11 13.913 13.004 0.993 1.00 0.00 C ATOM 123 C LEU A 11 14.242 14.489 1.107 1.00 0.00 C ATOM 124 O LEU A 11 15.410 14.873 1.169 1.00 0.00 O ATOM 125 CB LEU A 11 13.705 12.627 -0.475 1.00 0.00 C ATOM 126 CG LEU A 11 14.114 11.207 -0.868 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.450 10.803 -2.175 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.627 11.100 -0.980 1.00 0.00 C ATOM 0 H LEU A 11 11.891 12.494 1.213 1.00 0.00 H new ATOM 0 HA LEU A 11 14.751 12.433 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.651 12.760 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.265 13.329 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 11 13.779 10.523 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.753 9.790 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.367 10.840 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.754 11.490 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.900 10.083 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.986 11.794 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.081 11.346 -0.020 1.00 0.00 H new ATOM 140 N SER A 12 13.205 15.320 1.135 1.00 0.00 N ATOM 141 CA SER A 12 13.384 16.763 1.240 1.00 0.00 C ATOM 142 C SER A 12 14.228 17.118 2.460 1.00 0.00 C ATOM 143 O SER A 12 15.243 17.808 2.365 1.00 0.00 O ATOM 144 CB SER A 12 12.025 17.462 1.325 1.00 0.00 C ATOM 145 OG SER A 12 12.056 18.717 0.668 1.00 0.00 O ATOM 0 H SER A 12 12.232 15.018 1.086 1.00 0.00 H new ATOM 0 HA SER A 12 13.906 17.106 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.259 16.831 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.749 17.602 2.370 1.00 0.00 H new ATOM 0 HG SER A 12 11.176 19.143 0.735 1.00 0.00 H new ATOM 151 N PRO A 13 13.800 16.636 3.636 1.00 0.00 N ATOM 152 CA PRO A 13 14.501 16.889 4.898 1.00 0.00 C ATOM 153 C PRO A 13 15.838 16.159 4.975 1.00 0.00 C ATOM 154 O PRO A 13 16.758 16.599 5.664 1.00 0.00 O ATOM 155 CB PRO A 13 13.535 16.347 5.955 1.00 0.00 C ATOM 156 CG PRO A 13 12.729 15.319 5.240 1.00 0.00 C ATOM 157 CD PRO A 13 12.598 15.806 3.824 1.00 0.00 C ATOM 0 HA PRO A 13 14.745 17.944 5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.073 15.913 6.797 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.902 17.139 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.219 14.346 5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.750 15.199 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.567 14.978 3.116 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.685 16.383 3.680 1.00 0.00 H new ATOM 165 N CYS A 14 15.939 15.042 4.263 1.00 0.00 N ATOM 166 CA CYS A 14 17.163 14.251 4.249 1.00 0.00 C ATOM 167 C CYS A 14 18.165 14.815 3.247 1.00 0.00 C ATOM 168 O CYS A 14 19.347 14.469 3.271 1.00 0.00 O ATOM 169 CB CYS A 14 16.849 12.793 3.908 1.00 0.00 C ATOM 170 SG CYS A 14 16.190 11.827 5.305 1.00 0.00 S ATOM 0 H CYS A 14 15.187 14.664 3.687 1.00 0.00 H new ATOM 0 HA CYS A 14 17.607 14.297 5.244 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.127 12.769 3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.757 12.312 3.544 1.00 0.00 H new ATOM 175 N LEU A 15 17.685 15.686 2.366 1.00 0.00 N ATOM 176 CA LEU A 15 18.537 16.300 1.354 1.00 0.00 C ATOM 177 C LEU A 15 19.594 17.191 2.000 1.00 0.00 C ATOM 178 O LEU A 15 20.786 17.062 1.719 1.00 0.00 O ATOM 179 CB LEU A 15 17.693 17.119 0.376 1.00 0.00 C ATOM 180 CG LEU A 15 17.220 16.385 -0.880 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.388 17.308 -1.756 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.409 15.838 -1.657 1.00 0.00 C ATOM 0 H LEU A 15 16.710 15.983 2.332 1.00 0.00 H new ATOM 0 HA LEU A 15 19.043 15.503 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.817 17.491 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.272 17.989 0.068 1.00 0.00 H new ATOM 0 HG LEU A 15 16.594 15.547 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.060 16.769 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.517 17.651 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.990 18.167 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.054 15.319 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.060 16.661 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.965 15.142 -1.029 1.00 0.00 H new ATOM 194 N THR A 16 19.150 18.093 2.869 1.00 0.00 N ATOM 195 CA THR A 16 20.057 19.004 3.556 1.00 0.00 C ATOM 196 C THR A 16 21.209 18.247 4.205 1.00 0.00 C ATOM 197 O THR A 16 22.333 18.745 4.273 1.00 0.00 O ATOM 198 CB THR A 16 19.321 19.821 4.635 1.00 0.00 C ATOM 199 OG1 THR A 16 18.230 20.538 4.047 1.00 0.00 O ATOM 200 CG2 THR A 16 20.270 20.798 5.314 1.00 0.00 C ATOM 0 H THR A 16 18.167 18.212 3.114 1.00 0.00 H new ATOM 0 HA THR A 16 20.453 19.685 2.802 1.00 0.00 H new ATOM 0 HB THR A 16 18.938 19.130 5.386 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.766 21.053 4.740 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.728 21.364 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.084 20.247 5.785 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.678 21.484 4.572 1.00 0.00 H new ATOM 208 N TYR A 17 20.924 17.040 4.681 1.00 0.00 N ATOM 209 CA TYR A 17 21.937 16.214 5.327 1.00 0.00 C ATOM 210 C TYR A 17 22.728 15.415 4.295 1.00 0.00 C ATOM 211 O TYR A 17 23.940 15.240 4.424 1.00 0.00 O ATOM 212 CB TYR A 17 21.285 15.264 6.333 1.00 0.00 C ATOM 213 CG TYR A 17 22.278 14.535 7.209 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.382 15.192 7.737 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.112 13.188 7.510 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.293 14.530 8.538 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.017 12.518 8.310 1.00 0.00 C ATOM 218 CZ TYR A 17 24.106 13.193 8.821 1.00 0.00 C ATOM 219 OH TYR A 17 25.010 12.530 9.620 1.00 0.00 O ATOM 0 H TYR A 17 20.000 16.612 4.632 1.00 0.00 H new ATOM 0 HA TYR A 17 22.626 16.874 5.854 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.603 15.831 6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.684 14.532 5.793 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.531 16.239 7.518 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.261 12.656 7.111 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.146 15.056 8.940 1.00 0.00 H new ATOM 0 HE2 TYR A 17 22.873 11.471 8.534 1.00 0.00 H new ATOM 0 HH TYR A 17 24.733 11.596 9.722 1.00 0.00 H new ATOM 229 N LEU A 18 22.033 14.933 3.271 1.00 0.00 N ATOM 230 CA LEU A 18 22.669 14.153 2.214 1.00 0.00 C ATOM 231 C LEU A 18 23.552 15.038 1.341 1.00 0.00 C ATOM 232 O LEU A 18 24.321 14.545 0.515 1.00 0.00 O ATOM 233 CB LEU A 18 21.609 13.464 1.354 1.00 0.00 C ATOM 234 CG LEU A 18 20.955 12.222 1.961 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.916 11.647 1.012 1.00 0.00 C ATOM 236 CD2 LEU A 18 22.009 11.176 2.298 1.00 0.00 C ATOM 0 H LEU A 18 21.029 15.068 3.150 1.00 0.00 H new ATOM 0 HA LEU A 18 23.297 13.395 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.826 14.188 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.066 13.182 0.406 1.00 0.00 H new ATOM 0 HG LEU A 18 20.452 12.514 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.462 10.764 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 18 19.145 12.394 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.395 11.370 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.526 10.299 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.540 10.889 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.716 11.591 3.016 1.00 0.00 H new ATOM 248 N THR A 19 23.439 16.349 1.530 1.00 0.00 N ATOM 249 CA THR A 19 24.228 17.303 0.760 1.00 0.00 C ATOM 250 C THR A 19 25.496 17.698 1.508 1.00 0.00 C ATOM 251 O THR A 19 26.398 18.311 0.939 1.00 0.00 O ATOM 252 CB THR A 19 23.418 18.574 0.441 1.00 0.00 C ATOM 253 OG1 THR A 19 22.594 18.923 1.559 1.00 0.00 O ATOM 254 CG2 THR A 19 22.549 18.367 -0.790 1.00 0.00 C ATOM 0 H THR A 19 22.809 16.774 2.210 1.00 0.00 H new ATOM 0 HA THR A 19 24.498 16.809 -0.173 1.00 0.00 H new ATOM 0 HB THR A 19 24.119 19.384 0.240 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.809 18.337 1.582 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.986 19.278 -0.996 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.181 18.130 -1.646 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.856 17.545 -0.612 1.00 0.00 H new ATOM 262 N GLY A 20 25.560 17.340 2.787 1.00 0.00 N ATOM 263 CA GLY A 20 26.723 17.665 3.591 1.00 0.00 C ATOM 264 C GLY A 20 26.400 18.628 4.716 1.00 0.00 C ATOM 265 O GLY A 20 27.277 19.003 5.493 1.00 0.00 O ATOM 0 H GLY A 20 24.827 16.831 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.139 16.749 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.491 18.101 2.953 1.00 0.00 H new ATOM 269 N GLY A 21 25.136 19.032 4.802 1.00 0.00 N ATOM 270 CA GLY A 21 24.722 19.956 5.842 1.00 0.00 C ATOM 271 C GLY A 21 24.609 19.290 7.198 1.00 0.00 C ATOM 272 O GLY A 21 25.014 18.143 7.386 1.00 0.00 O ATOM 0 H GLY A 21 24.392 18.736 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.438 20.775 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.760 20.393 5.574 1.00 0.00 H new ATOM 276 N PRO A 22 24.047 20.018 8.175 1.00 0.00 N ATOM 277 CA PRO A 22 23.870 19.511 9.539 1.00 0.00 C ATOM 278 C PRO A 22 22.814 18.413 9.616 1.00 0.00 C ATOM 279 O PRO A 22 21.794 18.469 8.931 1.00 0.00 O ATOM 280 CB PRO A 22 23.415 20.746 10.320 1.00 0.00 C ATOM 281 CG PRO A 22 22.783 21.628 9.300 1.00 0.00 C ATOM 282 CD PRO A 22 23.541 21.392 8.022 1.00 0.00 C ATOM 0 HA PRO A 22 24.782 19.057 9.927 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.708 20.479 11.105 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.257 21.241 10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.727 21.388 9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.840 22.674 9.600 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.896 21.488 7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.353 22.108 7.898 1.00 0.00 H new ATOM 290 N GLY A 23 23.067 17.413 10.456 1.00 0.00 N ATOM 291 CA GLY A 23 22.129 16.316 10.608 1.00 0.00 C ATOM 292 C GLY A 23 22.740 15.125 11.318 1.00 0.00 C ATOM 293 O GLY A 23 23.830 15.205 11.884 1.00 0.00 O ATOM 0 H GLY A 23 23.905 17.343 11.034 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.259 16.661 11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.774 16.006 9.625 1.00 0.00 H new ATOM 297 N PRO A 24 22.029 13.988 11.294 1.00 0.00 N ATOM 298 CA PRO A 24 20.730 13.881 10.623 1.00 0.00 C ATOM 299 C PRO A 24 19.638 14.664 11.344 1.00 0.00 C ATOM 300 O PRO A 24 19.496 14.570 12.563 1.00 0.00 O ATOM 301 CB PRO A 24 20.430 12.381 10.668 1.00 0.00 C ATOM 302 CG PRO A 24 21.195 11.876 11.843 1.00 0.00 C ATOM 303 CD PRO A 24 22.437 12.720 11.921 1.00 0.00 C ATOM 0 HA PRO A 24 20.757 14.294 9.615 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.362 12.194 10.781 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.745 11.887 9.749 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.607 11.961 12.757 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.446 10.822 11.722 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.759 12.867 12.952 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.270 12.259 11.390 1.00 0.00 H new ATOM 311 N SER A 25 18.869 15.436 10.583 1.00 0.00 N ATOM 312 CA SER A 25 17.792 16.239 11.151 1.00 0.00 C ATOM 313 C SER A 25 16.717 15.348 11.765 1.00 0.00 C ATOM 314 O SER A 25 16.645 14.147 11.503 1.00 0.00 O ATOM 315 CB SER A 25 17.175 17.136 10.077 1.00 0.00 C ATOM 316 OG SER A 25 17.284 16.544 8.794 1.00 0.00 O ATOM 0 H SER A 25 18.972 15.523 9.572 1.00 0.00 H new ATOM 0 HA SER A 25 18.214 16.865 11.938 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.126 17.318 10.309 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.674 18.105 10.077 1.00 0.00 H new ATOM 0 HG SER A 25 16.867 17.129 8.127 1.00 0.00 H new ATOM 322 N PRO A 26 15.859 15.949 12.603 1.00 0.00 N ATOM 323 CA PRO A 26 14.771 15.230 13.272 1.00 0.00 C ATOM 324 C PRO A 26 13.675 14.802 12.301 1.00 0.00 C ATOM 325 O PRO A 26 13.100 13.723 12.438 1.00 0.00 O ATOM 326 CB PRO A 26 14.229 16.256 14.271 1.00 0.00 C ATOM 327 CG PRO A 26 14.581 17.579 13.684 1.00 0.00 C ATOM 328 CD PRO A 26 15.885 17.377 12.961 1.00 0.00 C ATOM 0 HA PRO A 26 15.118 14.306 13.735 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.151 16.154 14.398 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.680 16.127 15.255 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.804 17.922 13.000 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.679 18.337 14.461 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.957 18.011 12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.738 17.617 13.596 1.00 0.00 H new ATOM 336 N GLN A 27 13.393 15.655 11.322 1.00 0.00 N ATOM 337 CA GLN A 27 12.366 15.364 10.328 1.00 0.00 C ATOM 338 C GLN A 27 12.827 14.266 9.375 1.00 0.00 C ATOM 339 O GLN A 27 12.032 13.432 8.941 1.00 0.00 O ATOM 340 CB GLN A 27 12.016 16.627 9.540 1.00 0.00 C ATOM 341 CG GLN A 27 11.163 17.614 10.320 1.00 0.00 C ATOM 342 CD GLN A 27 11.767 19.004 10.359 1.00 0.00 C ATOM 343 OE1 GLN A 27 12.948 19.172 10.663 1.00 0.00 O ATOM 344 NE2 GLN A 27 10.957 20.010 10.050 1.00 0.00 N ATOM 0 H GLN A 27 13.861 16.553 11.196 1.00 0.00 H new ATOM 0 HA GLN A 27 11.477 15.015 10.853 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.938 17.120 9.232 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.488 16.343 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.171 17.665 9.871 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.033 17.250 11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.985 19.825 9.804 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.307 20.968 10.059 1.00 0.00 H new ATOM 353 N CYS A 28 14.115 14.273 9.051 1.00 0.00 N ATOM 354 CA CYS A 28 14.683 13.279 8.148 1.00 0.00 C ATOM 355 C CYS A 28 14.590 11.880 8.751 1.00 0.00 C ATOM 356 O CYS A 28 14.054 10.960 8.133 1.00 0.00 O ATOM 357 CB CYS A 28 16.142 13.616 7.837 1.00 0.00 C ATOM 358 SG CYS A 28 17.054 12.276 7.005 1.00 0.00 S ATOM 0 H CYS A 28 14.786 14.957 9.401 1.00 0.00 H new ATOM 0 HA CYS A 28 14.108 13.296 7.222 1.00 0.00 H new ATOM 0 HB2 CYS A 28 16.172 14.506 7.209 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.652 13.865 8.767 1.00 0.00 H new ATOM 363 N CYS A 29 15.116 11.728 9.962 1.00 0.00 N ATOM 364 CA CYS A 29 15.093 10.443 10.650 1.00 0.00 C ATOM 365 C CYS A 29 13.670 9.899 10.740 1.00 0.00 C ATOM 366 O CYS A 29 13.419 8.734 10.433 1.00 0.00 O ATOM 367 CB CYS A 29 15.688 10.581 12.052 1.00 0.00 C ATOM 368 SG CYS A 29 17.475 10.239 12.139 1.00 0.00 S ATOM 0 H CYS A 29 15.563 12.479 10.487 1.00 0.00 H new ATOM 0 HA CYS A 29 15.696 9.740 10.075 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.505 11.592 12.415 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.166 9.901 12.725 1.00 0.00 H new ATOM 373 N GLY A 30 12.742 10.752 11.163 1.00 0.00 N ATOM 374 CA GLY A 30 11.356 10.339 11.286 1.00 0.00 C ATOM 375 C GLY A 30 10.834 9.678 10.026 1.00 0.00 C ATOM 376 O GLY A 30 10.232 8.607 10.083 1.00 0.00 O ATOM 0 H GLY A 30 12.925 11.721 11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.259 9.647 12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.740 11.208 11.518 1.00 0.00 H new ATOM 380 N GLY A 31 11.065 10.318 8.884 1.00 0.00 N ATOM 381 CA GLY A 31 10.605 9.771 7.621 1.00 0.00 C ATOM 382 C GLY A 31 11.357 8.515 7.225 1.00 0.00 C ATOM 383 O GLY A 31 10.777 7.589 6.657 1.00 0.00 O ATOM 0 H GLY A 31 11.562 11.205 8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.541 9.546 7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.721 10.522 6.839 1.00 0.00 H new ATOM 387 N VAL A 32 12.651 8.483 7.525 1.00 0.00 N ATOM 388 CA VAL A 32 13.484 7.332 7.196 1.00 0.00 C ATOM 389 C VAL A 32 12.928 6.056 7.819 1.00 0.00 C ATOM 390 O VAL A 32 12.668 5.074 7.124 1.00 0.00 O ATOM 391 CB VAL A 32 14.934 7.534 7.673 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.765 6.290 7.397 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.549 8.754 7.006 1.00 0.00 C ATOM 0 H VAL A 32 13.146 9.241 7.995 1.00 0.00 H new ATOM 0 HA VAL A 32 13.477 7.236 6.110 1.00 0.00 H new ATOM 0 HB VAL A 32 14.924 7.704 8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.787 6.451 7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.334 5.440 7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.770 6.086 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.574 8.882 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.548 8.617 5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.967 9.640 7.260 1.00 0.00 H new ATOM 403 N LYS A 33 12.747 6.078 9.136 1.00 0.00 N ATOM 404 CA LYS A 33 12.220 4.924 9.855 1.00 0.00 C ATOM 405 C LYS A 33 10.837 4.545 9.336 1.00 0.00 C ATOM 406 O LYS A 33 10.391 3.409 9.500 1.00 0.00 O ATOM 407 CB LYS A 33 12.151 5.220 11.355 1.00 0.00 C ATOM 408 CG LYS A 33 13.477 5.039 12.072 1.00 0.00 C ATOM 409 CD LYS A 33 13.392 5.487 13.522 1.00 0.00 C ATOM 410 CE LYS A 33 14.339 4.691 14.407 1.00 0.00 C ATOM 411 NZ LYS A 33 13.739 4.397 15.738 1.00 0.00 N ATOM 0 H LYS A 33 12.958 6.882 9.727 1.00 0.00 H new ATOM 0 HA LYS A 33 12.894 4.084 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.806 6.244 11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.408 4.566 11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.774 3.991 12.031 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.250 5.610 11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.633 6.548 13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.370 5.368 13.881 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.599 3.756 13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.266 5.249 14.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.415 3.853 16.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.514 5.290 16.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.868 3.843 15.611 1.00 0.00 H new ATOM 425 N LYS A 34 10.162 5.502 8.708 1.00 0.00 N ATOM 426 CA LYS A 34 8.831 5.269 8.163 1.00 0.00 C ATOM 427 C LYS A 34 8.905 4.447 6.879 1.00 0.00 C ATOM 428 O LYS A 34 8.069 3.574 6.640 1.00 0.00 O ATOM 429 CB LYS A 34 8.129 6.601 7.888 1.00 0.00 C ATOM 430 CG LYS A 34 6.613 6.503 7.901 1.00 0.00 C ATOM 431 CD LYS A 34 6.057 6.658 9.307 1.00 0.00 C ATOM 432 CE LYS A 34 4.634 6.129 9.404 1.00 0.00 C ATOM 433 NZ LYS A 34 3.645 7.090 8.843 1.00 0.00 N ATOM 0 H LYS A 34 10.516 6.448 8.564 1.00 0.00 H new ATOM 0 HA LYS A 34 8.257 4.708 8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.444 7.329 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.452 6.979 6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.192 7.273 7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.306 5.541 7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.694 6.124 10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.076 7.710 9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.562 5.181 8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.392 5.927 10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.688 6.692 8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.695 7.986 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.860 7.264 7.840 1.00 0.00 H new ATOM 447 N LEU A 35 9.910 4.731 6.058 1.00 0.00 N ATOM 448 CA LEU A 35 10.094 4.017 4.800 1.00 0.00 C ATOM 449 C LEU A 35 10.424 2.548 5.050 1.00 0.00 C ATOM 450 O LEU A 35 9.844 1.656 4.429 1.00 0.00 O ATOM 451 CB LEU A 35 11.208 4.669 3.979 1.00 0.00 C ATOM 452 CG LEU A 35 11.324 4.214 2.524 1.00 0.00 C ATOM 453 CD1 LEU A 35 12.043 5.265 1.692 1.00 0.00 C ATOM 454 CD2 LEU A 35 12.046 2.877 2.438 1.00 0.00 C ATOM 0 H LEU A 35 10.610 5.450 6.241 1.00 0.00 H new ATOM 0 HA LEU A 35 9.160 4.070 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.056 5.748 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.159 4.476 4.476 1.00 0.00 H new ATOM 0 HG LEU A 35 10.319 4.087 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.116 4.924 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.485 6.201 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.044 5.425 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.119 2.569 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.047 2.976 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.490 2.126 3.000 1.00 0.00 H new ATOM 466 N LEU A 36 11.357 2.304 5.963 1.00 0.00 N ATOM 467 CA LEU A 36 11.763 0.944 6.298 1.00 0.00 C ATOM 468 C LEU A 36 10.640 0.201 7.014 1.00 0.00 C ATOM 469 O LEU A 36 10.434 -0.993 6.797 1.00 0.00 O ATOM 470 CB LEU A 36 13.016 0.965 7.174 1.00 0.00 C ATOM 471 CG LEU A 36 14.354 0.925 6.434 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.475 1.427 7.331 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.650 -0.485 5.945 1.00 0.00 C ATOM 0 H LEU A 36 11.847 3.031 6.485 1.00 0.00 H new ATOM 0 HA LEU A 36 11.986 0.419 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.990 1.865 7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.974 0.114 7.854 1.00 0.00 H new ATOM 0 HG LEU A 36 14.289 1.583 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.419 1.391 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.268 2.454 7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.542 0.796 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.606 -0.495 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.696 -1.163 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.860 -0.808 5.266 1.00 0.00 H new ATOM 485 N ALA A 37 9.915 0.916 7.868 1.00 0.00 N ATOM 486 CA ALA A 37 8.810 0.326 8.614 1.00 0.00 C ATOM 487 C ALA A 37 7.595 0.113 7.717 1.00 0.00 C ATOM 488 O ALA A 37 6.745 -0.731 7.998 1.00 0.00 O ATOM 489 CB ALA A 37 8.445 1.206 9.801 1.00 0.00 C ATOM 0 H ALA A 37 10.073 1.905 8.061 1.00 0.00 H new ATOM 0 HA ALA A 37 9.132 -0.648 8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.619 0.753 10.349 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.307 1.304 10.460 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.147 2.192 9.445 1.00 0.00 H new ATOM 495 N ALA A 38 7.519 0.885 6.638 1.00 0.00 N ATOM 496 CA ALA A 38 6.408 0.780 5.700 1.00 0.00 C ATOM 497 C ALA A 38 6.653 -0.329 4.682 1.00 0.00 C ATOM 498 O ALA A 38 5.733 -0.762 3.989 1.00 0.00 O ATOM 499 CB ALA A 38 6.187 2.109 4.993 1.00 0.00 C ATOM 0 H ALA A 38 8.214 1.590 6.392 1.00 0.00 H new ATOM 0 HA ALA A 38 5.510 0.528 6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.354 2.016 4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.959 2.879 5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.089 2.385 4.447 1.00 0.00 H new ATOM 505 N ALA A 39 7.899 -0.783 4.596 1.00 0.00 N ATOM 506 CA ALA A 39 8.264 -1.842 3.664 1.00 0.00 C ATOM 507 C ALA A 39 8.932 -3.005 4.388 1.00 0.00 C ATOM 508 O ALA A 39 10.127 -2.964 4.679 1.00 0.00 O ATOM 509 CB ALA A 39 9.181 -1.297 2.579 1.00 0.00 C ATOM 0 H ALA A 39 8.673 -0.433 5.161 1.00 0.00 H new ATOM 0 HA ALA A 39 7.351 -2.214 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.446 -2.099 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.669 -0.504 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.087 -0.897 3.035 1.00 0.00 H new ATOM 515 N ASN A 40 8.153 -4.042 4.678 1.00 0.00 N ATOM 516 CA ASN A 40 8.670 -5.217 5.371 1.00 0.00 C ATOM 517 C ASN A 40 8.959 -6.346 4.386 1.00 0.00 C ATOM 518 O ASN A 40 9.838 -7.177 4.616 1.00 0.00 O ATOM 519 CB ASN A 40 7.672 -5.691 6.429 1.00 0.00 C ATOM 520 CG ASN A 40 8.269 -6.726 7.363 1.00 0.00 C ATOM 521 OD1 ASN A 40 8.787 -6.392 8.429 1.00 0.00 O ATOM 522 ND2 ASN A 40 8.198 -7.992 6.967 1.00 0.00 N ATOM 0 H ASN A 40 7.162 -4.093 4.444 1.00 0.00 H new ATOM 0 HA ASN A 40 9.603 -4.938 5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.329 -4.835 7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.796 -6.113 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.582 -8.732 7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.760 -8.224 6.076 1.00 0.00 H new ATOM 529 N THR A 41 8.212 -6.370 3.286 1.00 0.00 N ATOM 530 CA THR A 41 8.387 -7.396 2.266 1.00 0.00 C ATOM 531 C THR A 41 9.319 -6.917 1.159 1.00 0.00 C ATOM 532 O THR A 41 9.906 -5.839 1.249 1.00 0.00 O ATOM 533 CB THR A 41 7.038 -7.805 1.644 1.00 0.00 C ATOM 534 OG1 THR A 41 6.449 -6.687 0.971 1.00 0.00 O ATOM 535 CG2 THR A 41 6.084 -8.320 2.712 1.00 0.00 C ATOM 0 H THR A 41 7.480 -5.690 3.079 1.00 0.00 H new ATOM 0 HA THR A 41 8.829 -8.261 2.760 1.00 0.00 H new ATOM 0 HB THR A 41 7.222 -8.605 0.926 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.593 -6.956 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.138 -8.603 2.249 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.522 -9.189 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.907 -7.537 3.450 1.00 0.00 H new ATOM 543 N THR A 42 9.451 -7.726 0.112 1.00 0.00 N ATOM 544 CA THR A 42 10.312 -7.385 -1.014 1.00 0.00 C ATOM 545 C THR A 42 9.629 -6.394 -1.949 1.00 0.00 C ATOM 546 O THR A 42 10.195 -5.367 -2.324 1.00 0.00 O ATOM 547 CB THR A 42 10.711 -8.639 -1.815 1.00 0.00 C ATOM 548 OG1 THR A 42 10.703 -9.789 -0.963 1.00 0.00 O ATOM 549 CG2 THR A 42 12.090 -8.469 -2.434 1.00 0.00 C ATOM 0 H THR A 42 8.972 -8.622 0.021 1.00 0.00 H new ATOM 0 HA THR A 42 11.210 -6.927 -0.598 1.00 0.00 H new ATOM 0 HB THR A 42 9.985 -8.777 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.956 -10.582 -1.481 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.350 -9.367 -2.995 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.084 -7.611 -3.106 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.825 -8.308 -1.646 1.00 0.00 H new ATOM 557 N PRO A 43 8.383 -6.705 -2.334 1.00 0.00 N ATOM 558 CA PRO A 43 7.595 -5.853 -3.230 1.00 0.00 C ATOM 559 C PRO A 43 7.616 -4.389 -2.803 1.00 0.00 C ATOM 560 O PRO A 43 7.896 -3.502 -3.609 1.00 0.00 O ATOM 561 CB PRO A 43 6.180 -6.425 -3.111 1.00 0.00 C ATOM 562 CG PRO A 43 6.379 -7.849 -2.722 1.00 0.00 C ATOM 563 CD PRO A 43 7.646 -7.913 -1.926 1.00 0.00 C ATOM 0 HA PRO A 43 7.987 -5.858 -4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.597 -5.888 -2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.640 -6.344 -4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.535 -8.209 -2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.446 -8.484 -3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.445 -7.915 -0.855 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.211 -8.819 -2.146 1.00 0.00 H new ATOM 571 N ASP A 44 7.317 -4.144 -1.533 1.00 0.00 N ATOM 572 CA ASP A 44 7.303 -2.787 -0.999 1.00 0.00 C ATOM 573 C ASP A 44 8.697 -2.170 -1.046 1.00 0.00 C ATOM 574 O ASP A 44 8.863 -1.017 -1.446 1.00 0.00 O ATOM 575 CB ASP A 44 6.780 -2.787 0.439 1.00 0.00 C ATOM 576 CG ASP A 44 5.276 -2.610 0.508 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.606 -2.818 -0.526 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.768 -2.263 1.595 1.00 0.00 O ATOM 0 H ASP A 44 7.081 -4.867 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 44 6.638 -2.186 -1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.055 -3.724 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.263 -1.986 0.998 1.00 0.00 H new ATOM 583 N ARG A 45 9.695 -2.943 -0.633 1.00 0.00 N ATOM 584 CA ARG A 45 11.075 -2.472 -0.626 1.00 0.00 C ATOM 585 C ARG A 45 11.549 -2.157 -2.041 1.00 0.00 C ATOM 586 O ARG A 45 12.438 -1.329 -2.238 1.00 0.00 O ATOM 587 CB ARG A 45 11.991 -3.520 0.009 1.00 0.00 C ATOM 588 CG ARG A 45 12.018 -3.465 1.528 1.00 0.00 C ATOM 589 CD ARG A 45 13.065 -4.408 2.101 1.00 0.00 C ATOM 590 NE ARG A 45 12.592 -5.084 3.306 1.00 0.00 N ATOM 591 CZ ARG A 45 12.581 -4.521 4.509 1.00 0.00 C ATOM 592 NH1 ARG A 45 13.014 -3.277 4.666 1.00 0.00 N ATOM 593 NH2 ARG A 45 12.135 -5.201 5.557 1.00 0.00 N ATOM 0 H ARG A 45 9.574 -3.899 -0.299 1.00 0.00 H new ATOM 0 HA ARG A 45 11.117 -1.557 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.666 -4.512 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.004 -3.382 -0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.228 -2.446 1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.036 -3.728 1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.333 -5.151 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.971 -3.847 2.332 1.00 0.00 H new ATOM 0 HE ARG A 45 12.251 -6.041 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.356 -2.751 3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.005 -2.847 5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.800 -6.157 5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.127 -4.768 6.480 1.00 0.00 H new ATOM 607 N GLN A 46 10.950 -2.824 -3.023 1.00 0.00 N ATOM 608 CA GLN A 46 11.313 -2.616 -4.419 1.00 0.00 C ATOM 609 C GLN A 46 10.860 -1.241 -4.900 1.00 0.00 C ATOM 610 O GLN A 46 11.647 -0.477 -5.458 1.00 0.00 O ATOM 611 CB GLN A 46 10.694 -3.705 -5.297 1.00 0.00 C ATOM 612 CG GLN A 46 11.587 -4.922 -5.476 1.00 0.00 C ATOM 613 CD GLN A 46 10.969 -5.971 -6.379 1.00 0.00 C ATOM 614 OE1 GLN A 46 9.842 -5.816 -6.850 1.00 0.00 O ATOM 615 NE2 GLN A 46 11.707 -7.048 -6.627 1.00 0.00 N ATOM 0 H GLN A 46 10.212 -3.512 -2.877 1.00 0.00 H new ATOM 0 HA GLN A 46 12.399 -2.669 -4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.748 -4.020 -4.857 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.466 -3.285 -6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.544 -4.608 -5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.793 -5.363 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.636 -7.135 -6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.344 -7.787 -7.229 1.00 0.00 H new ATOM 624 N ALA A 47 9.586 -0.933 -4.680 1.00 0.00 N ATOM 625 CA ALA A 47 9.029 0.351 -5.089 1.00 0.00 C ATOM 626 C ALA A 47 9.834 1.509 -4.509 1.00 0.00 C ATOM 627 O ALA A 47 10.331 2.361 -5.244 1.00 0.00 O ATOM 628 CB ALA A 47 7.571 0.453 -4.664 1.00 0.00 C ATOM 0 H ALA A 47 8.920 -1.555 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 47 9.084 0.414 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.168 1.417 -4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.999 -0.348 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.501 0.364 -3.580 1.00 0.00 H new ATOM 634 N ALA A 48 9.958 1.533 -3.186 1.00 0.00 N ATOM 635 CA ALA A 48 10.704 2.586 -2.508 1.00 0.00 C ATOM 636 C ALA A 48 12.127 2.684 -3.046 1.00 0.00 C ATOM 637 O ALA A 48 12.581 3.759 -3.438 1.00 0.00 O ATOM 638 CB ALA A 48 10.720 2.338 -1.007 1.00 0.00 C ATOM 0 H ALA A 48 9.552 0.835 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 48 10.204 3.535 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.280 3.132 -0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.698 2.326 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.193 1.378 -0.802 1.00 0.00 H new ATOM 644 N CYS A 49 12.828 1.555 -3.060 1.00 0.00 N ATOM 645 CA CYS A 49 14.201 1.513 -3.549 1.00 0.00 C ATOM 646 C CYS A 49 14.321 2.218 -4.896 1.00 0.00 C ATOM 647 O CYS A 49 15.301 2.913 -5.160 1.00 0.00 O ATOM 648 CB CYS A 49 14.676 0.064 -3.675 1.00 0.00 C ATOM 649 SG CYS A 49 15.471 -0.592 -2.173 1.00 0.00 S ATOM 0 H CYS A 49 12.468 0.657 -2.738 1.00 0.00 H new ATOM 0 HA CYS A 49 14.832 2.034 -2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.823 -0.566 -3.926 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.379 -0.006 -4.505 1.00 0.00 H new ATOM 654 N ASN A 50 13.316 2.033 -5.746 1.00 0.00 N ATOM 655 CA ASN A 50 13.308 2.651 -7.067 1.00 0.00 C ATOM 656 C ASN A 50 13.231 4.171 -6.956 1.00 0.00 C ATOM 657 O ASN A 50 13.899 4.893 -7.697 1.00 0.00 O ATOM 658 CB ASN A 50 12.130 2.128 -7.891 1.00 0.00 C ATOM 659 CG ASN A 50 12.207 0.632 -8.126 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.289 0.078 -8.322 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.056 -0.030 -8.106 1.00 0.00 N ATOM 0 H ASN A 50 12.497 1.460 -5.544 1.00 0.00 H new ATOM 0 HA ASN A 50 14.239 2.388 -7.569 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.198 2.365 -7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.105 2.643 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.045 -1.039 -8.257 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.183 0.470 -7.940 1.00 0.00 H new ATOM 668 N CYS A 51 12.412 4.650 -6.026 1.00 0.00 N ATOM 669 CA CYS A 51 12.247 6.083 -5.817 1.00 0.00 C ATOM 670 C CYS A 51 13.470 6.677 -5.124 1.00 0.00 C ATOM 671 O CYS A 51 13.844 7.823 -5.375 1.00 0.00 O ATOM 672 CB CYS A 51 10.993 6.357 -4.984 1.00 0.00 C ATOM 673 SG CYS A 51 9.430 6.058 -5.871 1.00 0.00 S ATOM 0 H CYS A 51 11.852 4.066 -5.405 1.00 0.00 H new ATOM 0 HA CYS A 51 12.138 6.556 -6.793 1.00 0.00 H new ATOM 0 HB2 CYS A 51 11.018 5.730 -4.093 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.014 7.393 -4.646 1.00 0.00 H new ATOM 678 N LEU A 52 14.090 5.889 -4.253 1.00 0.00 N ATOM 679 CA LEU A 52 15.272 6.335 -3.524 1.00 0.00 C ATOM 680 C LEU A 52 16.499 6.343 -4.429 1.00 0.00 C ATOM 681 O LEU A 52 17.146 7.375 -4.609 1.00 0.00 O ATOM 682 CB LEU A 52 15.521 5.431 -2.315 1.00 0.00 C ATOM 683 CG LEU A 52 14.846 5.854 -1.010 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.052 4.798 0.065 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.379 7.201 -0.545 1.00 0.00 C ATOM 0 H LEU A 52 13.794 4.938 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 52 15.093 7.353 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.186 4.424 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.596 5.376 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 52 13.776 5.953 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.565 5.117 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.621 3.853 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.119 4.666 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.887 7.486 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.454 7.130 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.178 7.954 -1.307 1.00 0.00 H new ATOM 697 N LYS A 53 16.815 5.185 -4.999 1.00 0.00 N ATOM 698 CA LYS A 53 17.962 5.058 -5.890 1.00 0.00 C ATOM 699 C LYS A 53 17.940 6.140 -6.965 1.00 0.00 C ATOM 700 O LYS A 53 18.977 6.703 -7.314 1.00 0.00 O ATOM 701 CB LYS A 53 17.975 3.674 -6.544 1.00 0.00 C ATOM 702 CG LYS A 53 19.372 3.147 -6.825 1.00 0.00 C ATOM 703 CD LYS A 53 19.672 1.901 -6.008 1.00 0.00 C ATOM 704 CE LYS A 53 19.735 2.211 -4.521 1.00 0.00 C ATOM 705 NZ LYS A 53 18.908 1.266 -3.721 1.00 0.00 N ATOM 0 H LYS A 53 16.292 4.320 -4.859 1.00 0.00 H new ATOM 0 HA LYS A 53 18.867 5.181 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.454 2.970 -5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.417 3.718 -7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.469 2.920 -7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.106 3.919 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.903 1.150 -6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.620 1.472 -6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.770 2.162 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.391 3.231 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.259 1.241 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.917 1.582 -3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.970 0.314 -4.135 1.00 0.00 H new ATOM 719 N SER A 54 16.750 6.426 -7.485 1.00 0.00 N ATOM 720 CA SER A 54 16.594 7.440 -8.521 1.00 0.00 C ATOM 721 C SER A 54 16.705 8.842 -7.932 1.00 0.00 C ATOM 722 O SER A 54 17.143 9.776 -8.602 1.00 0.00 O ATOM 723 CB SER A 54 15.245 7.275 -9.225 1.00 0.00 C ATOM 724 OG SER A 54 15.072 8.258 -10.232 1.00 0.00 O ATOM 0 H SER A 54 15.881 5.970 -7.206 1.00 0.00 H new ATOM 0 HA SER A 54 17.395 7.307 -9.248 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.181 6.281 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.439 7.351 -8.496 1.00 0.00 H new ATOM 0 HG SER A 54 14.204 8.130 -10.668 1.00 0.00 H new ATOM 730 N ALA A 55 16.305 8.981 -6.672 1.00 0.00 N ATOM 731 CA ALA A 55 16.361 10.268 -5.990 1.00 0.00 C ATOM 732 C ALA A 55 17.799 10.648 -5.652 1.00 0.00 C ATOM 733 O ALA A 55 18.272 11.720 -6.026 1.00 0.00 O ATOM 734 CB ALA A 55 15.512 10.234 -4.728 1.00 0.00 C ATOM 0 H ALA A 55 15.939 8.218 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 55 15.961 11.026 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.563 11.202 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.477 10.016 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.887 9.460 -4.058 1.00 0.00 H new ATOM 740 N ALA A 56 18.489 9.761 -4.941 1.00 0.00 N ATOM 741 CA ALA A 56 19.873 10.004 -4.554 1.00 0.00 C ATOM 742 C ALA A 56 20.768 10.154 -5.779 1.00 0.00 C ATOM 743 O ALA A 56 21.878 10.675 -5.689 1.00 0.00 O ATOM 744 CB ALA A 56 20.377 8.876 -3.665 1.00 0.00 C ATOM 0 H ALA A 56 18.112 8.869 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 56 19.909 10.938 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.412 9.070 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.761 8.817 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.319 7.932 -4.207 1.00 0.00 H new ATOM 750 N GLY A 57 20.276 9.694 -6.926 1.00 0.00 N ATOM 751 CA GLY A 57 21.045 9.786 -8.153 1.00 0.00 C ATOM 752 C GLY A 57 21.192 11.214 -8.639 1.00 0.00 C ATOM 753 O GLY A 57 21.961 11.487 -9.561 1.00 0.00 O ATOM 0 H GLY A 57 19.359 9.259 -7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 57 22.034 9.357 -7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.561 9.190 -8.927 1.00 0.00 H new ATOM 757 N SER A 58 20.453 12.128 -8.018 1.00 0.00 N ATOM 758 CA SER A 58 20.501 13.535 -8.397 1.00 0.00 C ATOM 759 C SER A 58 21.194 14.364 -7.319 1.00 0.00 C ATOM 760 O SER A 58 20.995 15.576 -7.230 1.00 0.00 O ATOM 761 CB SER A 58 19.087 14.069 -8.636 1.00 0.00 C ATOM 762 OG SER A 58 19.106 15.190 -9.503 1.00 0.00 O ATOM 0 H SER A 58 19.814 11.919 -7.251 1.00 0.00 H new ATOM 0 HA SER A 58 21.074 13.618 -9.320 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.466 13.283 -9.066 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.635 14.349 -7.685 1.00 0.00 H new ATOM 0 HG SER A 58 19.716 15.869 -9.147 1.00 0.00 H new ATOM 768 N ILE A 59 22.007 13.701 -6.503 1.00 0.00 N ATOM 769 CA ILE A 59 22.730 14.376 -5.433 1.00 0.00 C ATOM 770 C ILE A 59 24.136 14.762 -5.877 1.00 0.00 C ATOM 771 O ILE A 59 24.973 13.900 -6.150 1.00 0.00 O ATOM 772 CB ILE A 59 22.826 13.493 -4.175 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.437 12.997 -3.766 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.475 14.263 -3.035 1.00 0.00 C ATOM 775 CD1 ILE A 59 20.503 14.105 -3.334 1.00 0.00 C ATOM 0 H ILE A 59 22.181 12.698 -6.563 1.00 0.00 H new ATOM 0 HA ILE A 59 22.167 15.278 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 59 23.448 12.628 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.990 12.462 -4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.541 12.282 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.536 13.625 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.478 14.572 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 59 22.877 15.145 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.538 13.680 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.928 14.626 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.369 14.809 -4.156 1.00 0.00 H new ATOM 787 N THR A 60 24.393 16.065 -5.947 1.00 0.00 N ATOM 788 CA THR A 60 25.698 16.566 -6.358 1.00 0.00 C ATOM 789 C THR A 60 26.785 16.135 -5.380 1.00 0.00 C ATOM 790 O THR A 60 26.828 16.597 -4.240 1.00 0.00 O ATOM 791 CB THR A 60 25.701 18.102 -6.467 1.00 0.00 C ATOM 792 OG1 THR A 60 27.035 18.576 -6.683 1.00 0.00 O ATOM 793 CG2 THR A 60 25.130 18.735 -5.207 1.00 0.00 C ATOM 0 H THR A 60 23.713 16.792 -5.724 1.00 0.00 H new ATOM 0 HA THR A 60 25.906 16.139 -7.339 1.00 0.00 H new ATOM 0 HB THR A 60 25.074 18.385 -7.313 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.028 19.553 -6.753 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.142 19.820 -5.307 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.104 18.396 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 60 25.734 18.443 -4.348 1.00 0.00 H new ATOM 801 N LYS A 61 27.664 15.247 -5.833 1.00 0.00 N ATOM 802 CA LYS A 61 28.754 14.755 -4.999 1.00 0.00 C ATOM 803 C LYS A 61 28.215 14.099 -3.731 1.00 0.00 C ATOM 804 O LYS A 61 28.583 14.480 -2.619 1.00 0.00 O ATOM 805 CB LYS A 61 29.700 15.900 -4.631 1.00 0.00 C ATOM 806 CG LYS A 61 30.723 16.213 -5.709 1.00 0.00 C ATOM 807 CD LYS A 61 32.101 16.456 -5.115 1.00 0.00 C ATOM 808 CE LYS A 61 33.187 16.383 -6.178 1.00 0.00 C ATOM 809 NZ LYS A 61 33.116 17.531 -7.123 1.00 0.00 N ATOM 0 H LYS A 61 27.642 14.853 -6.774 1.00 0.00 H new ATOM 0 HA LYS A 61 29.305 14.007 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.112 16.795 -4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.222 15.647 -3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.772 15.386 -6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.406 17.093 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.124 17.435 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.300 15.717 -4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 61 34.165 16.368 -5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.090 15.450 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.872 17.445 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 32.192 17.531 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.234 18.421 -6.598 1.00 0.00 H new ATOM 823 N LEU A 62 27.343 13.112 -3.905 1.00 0.00 N ATOM 824 CA LEU A 62 26.755 12.402 -2.775 1.00 0.00 C ATOM 825 C LEU A 62 27.837 11.906 -1.821 1.00 0.00 C ATOM 826 O LEU A 62 28.888 11.433 -2.252 1.00 0.00 O ATOM 827 CB LEU A 62 25.914 11.224 -3.269 1.00 0.00 C ATOM 828 CG LEU A 62 25.335 10.312 -2.187 1.00 0.00 C ATOM 829 CD1 LEU A 62 23.962 10.804 -1.754 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.257 8.877 -2.684 1.00 0.00 C ATOM 0 H LEU A 62 27.028 12.785 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 62 26.112 13.097 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.090 11.616 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.529 10.619 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 62 25.998 10.339 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.565 10.143 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.047 11.815 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.289 10.807 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.843 8.243 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.616 8.831 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.256 8.527 -2.944 1.00 0.00 H new ATOM 842 N ASN A 63 27.571 12.015 -0.524 1.00 0.00 N ATOM 843 CA ASN A 63 28.521 11.575 0.491 1.00 0.00 C ATOM 844 C ASN A 63 28.065 10.269 1.134 1.00 0.00 C ATOM 845 O ASN A 63 27.183 10.260 1.993 1.00 0.00 O ATOM 846 CB ASN A 63 28.688 12.653 1.564 1.00 0.00 C ATOM 847 CG ASN A 63 30.071 12.640 2.186 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.589 11.585 2.553 1.00 0.00 O ATOM 849 ND2 ASN A 63 30.676 13.815 2.308 1.00 0.00 N ATOM 0 H ASN A 63 26.705 12.404 -0.151 1.00 0.00 H new ATOM 0 HA ASN A 63 29.481 11.404 0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.500 13.632 1.124 1.00 0.00 H new ATOM 0 HB3 ASN A 63 27.941 12.505 2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.608 13.869 2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.209 14.664 1.990 1.00 0.00 H new ATOM 856 N THR A 64 28.673 9.164 0.712 1.00 0.00 N ATOM 857 CA THR A 64 28.330 7.852 1.245 1.00 0.00 C ATOM 858 C THR A 64 28.433 7.832 2.766 1.00 0.00 C ATOM 859 O THR A 64 27.653 7.163 3.441 1.00 0.00 O ATOM 860 CB THR A 64 29.242 6.754 0.666 1.00 0.00 C ATOM 861 OG1 THR A 64 30.609 7.179 0.711 1.00 0.00 O ATOM 862 CG2 THR A 64 28.854 6.429 -0.769 1.00 0.00 C ATOM 0 H THR A 64 29.406 9.152 0.002 1.00 0.00 H new ATOM 0 HA THR A 64 27.300 7.651 0.950 1.00 0.00 H new ATOM 0 HB THR A 64 29.121 5.855 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.183 6.475 0.343 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.512 5.651 -1.157 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.822 6.079 -0.796 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.950 7.324 -1.383 1.00 0.00 H new ATOM 870 N ASN A 65 29.401 8.571 3.298 1.00 0.00 N ATOM 871 CA ASN A 65 29.606 8.637 4.741 1.00 0.00 C ATOM 872 C ASN A 65 28.415 9.297 5.429 1.00 0.00 C ATOM 873 O ASN A 65 27.941 8.823 6.461 1.00 0.00 O ATOM 874 CB ASN A 65 30.887 9.411 5.060 1.00 0.00 C ATOM 875 CG ASN A 65 32.106 8.512 5.122 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.878 8.428 4.167 1.00 0.00 O ATOM 877 ND2 ASN A 65 32.283 7.833 6.250 1.00 0.00 N ATOM 0 H ASN A 65 30.055 9.132 2.753 1.00 0.00 H new ATOM 0 HA ASN A 65 29.702 7.618 5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.043 10.178 4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 65 30.769 9.925 6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 65 33.085 7.211 6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 65 31.617 7.934 7.016 1.00 0.00 H new ATOM 884 N ASN A 66 27.937 10.394 4.850 1.00 0.00 N ATOM 885 CA ASN A 66 26.801 11.119 5.408 1.00 0.00 C ATOM 886 C ASN A 66 25.508 10.329 5.225 1.00 0.00 C ATOM 887 O ASN A 66 24.676 10.264 6.129 1.00 0.00 O ATOM 888 CB ASN A 66 26.671 12.492 4.745 1.00 0.00 C ATOM 889 CG ASN A 66 27.948 13.304 4.842 1.00 0.00 C ATOM 890 OD1 ASN A 66 28.895 12.913 5.524 1.00 0.00 O ATOM 891 ND2 ASN A 66 27.979 14.441 4.158 1.00 0.00 N ATOM 0 H ASN A 66 28.318 10.800 3.995 1.00 0.00 H new ATOM 0 HA ASN A 66 26.976 11.253 6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.405 12.362 3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 66 25.856 13.044 5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 66 28.812 15.030 4.185 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.170 14.726 3.606 1.00 0.00 H new ATOM 898 N ALA A 67 25.348 9.730 4.050 1.00 0.00 N ATOM 899 CA ALA A 67 24.159 8.942 3.749 1.00 0.00 C ATOM 900 C ALA A 67 24.056 7.731 4.669 1.00 0.00 C ATOM 901 O ALA A 67 22.978 7.408 5.167 1.00 0.00 O ATOM 902 CB ALA A 67 24.173 8.502 2.293 1.00 0.00 C ATOM 0 H ALA A 67 26.027 9.775 3.290 1.00 0.00 H new ATOM 0 HA ALA A 67 23.284 9.570 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.280 7.914 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.191 9.380 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.059 7.896 2.105 1.00 0.00 H new ATOM 908 N ALA A 68 25.184 7.064 4.890 1.00 0.00 N ATOM 909 CA ALA A 68 25.221 5.889 5.752 1.00 0.00 C ATOM 910 C ALA A 68 25.164 6.285 7.223 1.00 0.00 C ATOM 911 O ALA A 68 24.822 5.472 8.082 1.00 0.00 O ATOM 912 CB ALA A 68 26.471 5.068 5.472 1.00 0.00 C ATOM 0 H ALA A 68 26.085 7.317 4.484 1.00 0.00 H new ATOM 0 HA ALA A 68 24.344 5.281 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.485 4.194 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.469 4.745 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.356 5.676 5.661 1.00 0.00 H new ATOM 918 N ALA A 69 25.502 7.538 7.507 1.00 0.00 N ATOM 919 CA ALA A 69 25.489 8.042 8.875 1.00 0.00 C ATOM 920 C ALA A 69 24.064 8.317 9.344 1.00 0.00 C ATOM 921 O ALA A 69 23.732 8.106 10.512 1.00 0.00 O ATOM 922 CB ALA A 69 26.334 9.302 8.982 1.00 0.00 C ATOM 0 H ALA A 69 25.788 8.223 6.808 1.00 0.00 H new ATOM 0 HA ALA A 69 25.916 7.276 9.522 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.315 9.667 10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.361 9.076 8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 69 25.932 10.067 8.318 1.00 0.00 H new ATOM 928 N LEU A 70 23.226 8.790 8.429 1.00 0.00 N ATOM 929 CA LEU A 70 21.835 9.095 8.749 1.00 0.00 C ATOM 930 C LEU A 70 21.176 7.928 9.478 1.00 0.00 C ATOM 931 O LEU A 70 20.659 8.069 10.586 1.00 0.00 O ATOM 932 CB LEU A 70 21.057 9.420 7.473 1.00 0.00 C ATOM 933 CG LEU A 70 19.569 9.068 7.487 1.00 0.00 C ATOM 934 CD1 LEU A 70 18.867 9.763 8.644 1.00 0.00 C ATOM 935 CD2 LEU A 70 18.920 9.445 6.163 1.00 0.00 C ATOM 0 H LEU A 70 23.485 8.971 7.459 1.00 0.00 H new ATOM 0 HA LEU A 70 21.821 9.964 9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.156 10.487 7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.526 8.895 6.641 1.00 0.00 H new ATOM 0 HG LEU A 70 19.471 7.991 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.809 9.501 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.315 9.444 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.974 10.843 8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.861 9.188 6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.029 10.517 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.405 8.901 5.352 1.00 0.00 H new ATOM 947 N PRO A 71 21.195 6.747 8.843 1.00 0.00 N ATOM 948 CA PRO A 71 20.606 5.532 9.413 1.00 0.00 C ATOM 949 C PRO A 71 21.394 5.012 10.610 1.00 0.00 C ATOM 950 O PRO A 71 20.826 4.722 11.662 1.00 0.00 O ATOM 951 CB PRO A 71 20.667 4.531 8.256 1.00 0.00 C ATOM 952 CG PRO A 71 21.792 5.007 7.403 1.00 0.00 C ATOM 953 CD PRO A 71 21.794 6.506 7.519 1.00 0.00 C ATOM 0 HA PRO A 71 19.599 5.706 9.791 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.845 3.518 8.618 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.730 4.511 7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.741 4.588 7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.655 4.696 6.367 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.803 6.913 7.455 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.212 6.971 6.724 1.00 0.00 H new ATOM 961 N GLY A 72 22.708 4.897 10.442 1.00 0.00 N ATOM 962 CA GLY A 72 23.553 4.412 11.518 1.00 0.00 C ATOM 963 C GLY A 72 23.444 5.260 12.769 1.00 0.00 C ATOM 964 O GLY A 72 23.687 4.781 13.877 1.00 0.00 O ATOM 0 H GLY A 72 23.202 5.131 9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.280 3.384 11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.590 4.397 11.183 1.00 0.00 H new ATOM 968 N LYS A 73 23.079 6.526 12.593 1.00 0.00 N ATOM 969 CA LYS A 73 22.938 7.445 13.717 1.00 0.00 C ATOM 970 C LYS A 73 21.633 7.194 14.465 1.00 0.00 C ATOM 971 O LYS A 73 21.622 7.070 15.690 1.00 0.00 O ATOM 972 CB LYS A 73 22.986 8.894 13.226 1.00 0.00 C ATOM 973 CG LYS A 73 24.394 9.404 12.972 1.00 0.00 C ATOM 974 CD LYS A 73 24.730 10.582 13.871 1.00 0.00 C ATOM 975 CE LYS A 73 25.754 11.502 13.223 1.00 0.00 C ATOM 976 NZ LYS A 73 26.033 12.700 14.063 1.00 0.00 N ATOM 0 H LYS A 73 22.876 6.939 11.683 1.00 0.00 H new ATOM 0 HA LYS A 73 23.768 7.272 14.402 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.407 8.976 12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.504 9.535 13.964 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.110 8.600 13.142 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.491 9.702 11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 73 23.822 11.144 14.091 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.118 10.217 14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 73 26.680 10.953 13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 73 25.390 11.820 12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 26.735 13.302 13.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 25.154 13.238 14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 26.405 12.398 14.986 1.00 0.00 H new ATOM 990 N CYS A 74 20.535 7.118 13.721 1.00 0.00 N ATOM 991 CA CYS A 74 19.224 6.880 14.313 1.00 0.00 C ATOM 992 C CYS A 74 18.987 5.388 14.529 1.00 0.00 C ATOM 993 O CYS A 74 17.914 4.976 14.967 1.00 0.00 O ATOM 994 CB CYS A 74 18.125 7.458 13.419 1.00 0.00 C ATOM 995 SG CYS A 74 17.665 9.174 13.820 1.00 0.00 S ATOM 0 H CYS A 74 20.527 7.218 12.706 1.00 0.00 H new ATOM 0 HA CYS A 74 19.195 7.378 15.282 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.456 7.415 12.381 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.239 6.828 13.497 1.00 0.00 H new ATOM 1000 N GLY A 75 19.999 4.583 14.219 1.00 0.00 N ATOM 1001 CA GLY A 75 19.882 3.146 14.387 1.00 0.00 C ATOM 1002 C GLY A 75 18.810 2.545 13.499 1.00 0.00 C ATOM 1003 O GLY A 75 18.022 1.709 13.944 1.00 0.00 O ATOM 0 H GLY A 75 20.897 4.900 13.855 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.840 2.678 14.163 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.654 2.922 15.429 1.00 0.00 H new ATOM 1007 N VAL A 76 18.778 2.971 12.241 1.00 0.00 N ATOM 1008 CA VAL A 76 17.795 2.469 11.288 1.00 0.00 C ATOM 1009 C VAL A 76 18.385 2.376 9.886 1.00 0.00 C ATOM 1010 O VAL A 76 18.203 3.273 9.064 1.00 0.00 O ATOM 1011 CB VAL A 76 16.544 3.367 11.248 1.00 0.00 C ATOM 1012 CG1 VAL A 76 16.937 4.823 11.047 1.00 0.00 C ATOM 1013 CG2 VAL A 76 15.593 2.907 10.153 1.00 0.00 C ATOM 0 H VAL A 76 19.422 3.663 11.857 1.00 0.00 H new ATOM 0 HA VAL A 76 17.508 1.473 11.624 1.00 0.00 H new ATOM 0 HB VAL A 76 16.028 3.284 12.205 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.040 5.442 11.021 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.576 5.144 11.869 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.477 4.928 10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.715 3.552 10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.097 2.959 9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.285 1.879 10.347 1.00 0.00 H new ATOM 1023 N ASN A 77 19.094 1.284 9.619 1.00 0.00 N ATOM 1024 CA ASN A 77 19.712 1.073 8.315 1.00 0.00 C ATOM 1025 C ASN A 77 18.824 0.208 7.426 1.00 0.00 C ATOM 1026 O ASN A 77 17.774 -0.268 7.856 1.00 0.00 O ATOM 1027 CB ASN A 77 21.084 0.417 8.478 1.00 0.00 C ATOM 1028 CG ASN A 77 22.199 1.435 8.624 1.00 0.00 C ATOM 1029 OD1 ASN A 77 22.361 2.048 9.679 1.00 0.00 O ATOM 1030 ND2 ASN A 77 22.974 1.619 7.561 1.00 0.00 N ATOM 0 H ASN A 77 19.255 0.531 10.288 1.00 0.00 H new ATOM 0 HA ASN A 77 19.836 2.045 7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 77 21.071 -0.232 9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 77 21.285 -0.217 7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 77 23.740 2.291 7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.803 1.088 6.707 1.00 0.00 H new ATOM 1037 N ILE A 78 19.255 0.009 6.185 1.00 0.00 N ATOM 1038 CA ILE A 78 18.500 -0.801 5.236 1.00 0.00 C ATOM 1039 C ILE A 78 19.225 -2.107 4.929 1.00 0.00 C ATOM 1040 O ILE A 78 20.441 -2.223 5.087 1.00 0.00 O ATOM 1041 CB ILE A 78 18.254 -0.041 3.919 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.540 0.645 3.452 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.138 0.978 4.096 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.708 2.047 3.995 1.00 0.00 C ATOM 0 H ILE A 78 20.122 0.397 5.813 1.00 0.00 H new ATOM 0 HA ILE A 78 17.540 -1.023 5.703 1.00 0.00 H new ATOM 0 HB ILE A 78 17.949 -0.757 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.395 0.041 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.547 0.683 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.976 1.507 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.221 0.466 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.417 1.692 4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.640 2.472 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.872 2.666 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.733 2.015 5.084 1.00 0.00 H new ATOM 1056 N PRO A 79 18.464 -3.114 4.477 1.00 0.00 N ATOM 1057 CA PRO A 79 19.013 -4.430 4.135 1.00 0.00 C ATOM 1058 C PRO A 79 19.876 -4.389 2.879 1.00 0.00 C ATOM 1059 O PRO A 79 20.533 -5.372 2.534 1.00 0.00 O ATOM 1060 CB PRO A 79 17.765 -5.284 3.900 1.00 0.00 C ATOM 1061 CG PRO A 79 16.707 -4.311 3.508 1.00 0.00 C ATOM 1062 CD PRO A 79 17.008 -3.046 4.265 1.00 0.00 C ATOM 0 HA PRO A 79 19.668 -4.815 4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.933 -6.023 3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.485 -5.832 4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 79 16.718 -4.134 2.432 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.716 -4.690 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 79 16.726 -2.160 3.696 1.00 0.00 H new ATOM 0 HD3 PRO A 79 16.466 -3.004 5.210 1.00 0.00 H new ATOM 1070 N TYR A 80 19.871 -3.248 2.200 1.00 0.00 N ATOM 1071 CA TYR A 80 20.652 -3.080 0.980 1.00 0.00 C ATOM 1072 C TYR A 80 21.580 -1.874 1.089 1.00 0.00 C ATOM 1073 O TYR A 80 21.742 -1.294 2.163 1.00 0.00 O ATOM 1074 CB TYR A 80 19.725 -2.917 -0.226 1.00 0.00 C ATOM 1075 CG TYR A 80 18.577 -3.900 -0.244 1.00 0.00 C ATOM 1076 CD1 TYR A 80 18.802 -5.258 -0.437 1.00 0.00 C ATOM 1077 CD2 TYR A 80 17.267 -3.472 -0.068 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.755 -6.160 -0.455 1.00 0.00 C ATOM 1079 CE2 TYR A 80 16.215 -4.367 -0.083 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.464 -5.710 -0.277 1.00 0.00 C ATOM 1081 OH TYR A 80 15.418 -6.604 -0.294 1.00 0.00 O ATOM 0 H TYR A 80 19.334 -2.425 2.474 1.00 0.00 H new ATOM 0 HA TYR A 80 21.261 -3.973 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 80 19.324 -1.903 -0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 80 20.307 -3.035 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.812 -5.614 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 80 17.068 -2.421 0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.947 -7.212 -0.608 1.00 0.00 H new ATOM 0 HE2 TYR A 80 15.203 -4.017 0.056 1.00 0.00 H new ATOM 0 HH TYR A 80 14.575 -6.124 -0.153 1.00 0.00 H new ATOM 1091 N LYS A 81 22.188 -1.501 -0.032 1.00 0.00 N ATOM 1092 CA LYS A 81 23.099 -0.363 -0.066 1.00 0.00 C ATOM 1093 C LYS A 81 22.413 0.866 -0.656 1.00 0.00 C ATOM 1094 O LYS A 81 21.315 0.771 -1.205 1.00 0.00 O ATOM 1095 CB LYS A 81 24.346 -0.706 -0.884 1.00 0.00 C ATOM 1096 CG LYS A 81 25.339 -1.583 -0.141 1.00 0.00 C ATOM 1097 CD LYS A 81 26.194 -2.393 -1.101 1.00 0.00 C ATOM 1098 CE LYS A 81 26.817 -3.597 -0.411 1.00 0.00 C ATOM 1099 NZ LYS A 81 28.226 -3.336 -0.005 1.00 0.00 N ATOM 0 H LYS A 81 22.066 -1.970 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 81 23.395 -0.136 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 81 24.041 -1.212 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 81 24.841 0.219 -1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.981 -0.960 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 81 24.802 -2.257 0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.584 -2.728 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.981 -1.760 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 81 26.228 -3.857 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 81 26.785 -4.456 -1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.615 -4.180 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.794 -3.113 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.254 -2.532 0.654 1.00 0.00 H new ATOM 1113 N ILE A 82 23.068 2.016 -0.539 1.00 0.00 N ATOM 1114 CA ILE A 82 22.522 3.262 -1.063 1.00 0.00 C ATOM 1115 C ILE A 82 23.445 3.867 -2.115 1.00 0.00 C ATOM 1116 O ILE A 82 24.386 4.590 -1.788 1.00 0.00 O ATOM 1117 CB ILE A 82 22.294 4.292 0.058 1.00 0.00 C ATOM 1118 CG1 ILE A 82 21.570 3.642 1.239 1.00 0.00 C ATOM 1119 CG2 ILE A 82 21.500 5.480 -0.467 1.00 0.00 C ATOM 1120 CD1 ILE A 82 22.506 3.110 2.302 1.00 0.00 C ATOM 0 H ILE A 82 23.977 2.111 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 82 21.563 3.019 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 82 23.264 4.651 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 82 20.899 4.373 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.950 2.825 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 82 21.347 6.199 0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.050 5.955 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 82 20.533 5.137 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 82 21.924 2.663 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 82 23.161 2.356 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 82 23.108 3.927 2.699 1.00 0.00 H new ATOM 1132 N SER A 83 23.168 3.569 -3.380 1.00 0.00 N ATOM 1133 CA SER A 83 23.975 4.082 -4.481 1.00 0.00 C ATOM 1134 C SER A 83 23.340 3.740 -5.826 1.00 0.00 C ATOM 1135 O SER A 83 22.312 3.065 -5.887 1.00 0.00 O ATOM 1136 CB SER A 83 25.392 3.509 -4.413 1.00 0.00 C ATOM 1137 OG SER A 83 26.227 4.311 -3.597 1.00 0.00 O ATOM 0 H SER A 83 22.391 2.975 -3.668 1.00 0.00 H new ATOM 0 HA SER A 83 24.024 5.167 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.359 2.494 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.811 3.447 -5.417 1.00 0.00 H new ATOM 0 HG SER A 83 25.756 4.534 -2.767 1.00 0.00 H new ATOM 1143 N THR A 84 23.959 4.213 -6.903 1.00 0.00 N ATOM 1144 CA THR A 84 23.456 3.959 -8.247 1.00 0.00 C ATOM 1145 C THR A 84 23.854 2.570 -8.731 1.00 0.00 C ATOM 1146 O THR A 84 23.460 2.141 -9.816 1.00 0.00 O ATOM 1147 CB THR A 84 23.975 5.008 -9.249 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.399 5.117 -9.149 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.338 6.365 -8.991 1.00 0.00 C ATOM 0 H THR A 84 24.810 4.774 -6.870 1.00 0.00 H new ATOM 0 HA THR A 84 22.369 4.024 -8.194 1.00 0.00 H new ATOM 0 HB THR A 84 23.705 4.683 -10.254 1.00 0.00 H new ATOM 0 HG1 THR A 84 25.722 5.784 -9.790 1.00 0.00 H new ATOM 0 HG21 THR A 84 23.720 7.089 -9.711 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.256 6.285 -9.096 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.581 6.695 -7.981 1.00 0.00 H new ATOM 1157 N THR A 85 24.639 1.868 -7.919 1.00 0.00 N ATOM 1158 CA THR A 85 25.092 0.527 -8.264 1.00 0.00 C ATOM 1159 C THR A 85 24.336 -0.531 -7.468 1.00 0.00 C ATOM 1160 O THR A 85 24.803 -1.660 -7.316 1.00 0.00 O ATOM 1161 CB THR A 85 26.602 0.361 -8.012 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.874 0.425 -6.607 1.00 0.00 O ATOM 1163 CG2 THR A 85 27.394 1.440 -8.736 1.00 0.00 C ATOM 0 H THR A 85 24.974 2.207 -7.017 1.00 0.00 H new ATOM 0 HA THR A 85 24.892 0.390 -9.327 1.00 0.00 H new ATOM 0 HB THR A 85 26.907 -0.612 -8.397 1.00 0.00 H new ATOM 0 HG1 THR A 85 27.836 0.317 -6.455 1.00 0.00 H new ATOM 0 HG21 THR A 85 28.458 1.302 -8.543 1.00 0.00 H new ATOM 0 HG22 THR A 85 27.208 1.371 -9.808 1.00 0.00 H new ATOM 0 HG23 THR A 85 27.084 2.421 -8.377 1.00 0.00 H new ATOM 1171 N THR A 86 23.165 -0.158 -6.961 1.00 0.00 N ATOM 1172 CA THR A 86 22.344 -1.075 -6.179 1.00 0.00 C ATOM 1173 C THR A 86 21.021 -1.361 -6.879 1.00 0.00 C ATOM 1174 O THR A 86 20.430 -0.475 -7.495 1.00 0.00 O ATOM 1175 CB THR A 86 22.058 -0.513 -4.774 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.277 -0.412 -4.029 1.00 0.00 O ATOM 1177 CG2 THR A 86 21.073 -1.400 -4.027 1.00 0.00 C ATOM 0 H THR A 86 22.764 0.772 -7.078 1.00 0.00 H new ATOM 0 HA THR A 86 22.909 -2.002 -6.083 1.00 0.00 H new ATOM 0 HB THR A 86 21.618 0.478 -4.886 1.00 0.00 H new ATOM 0 HG1 THR A 86 23.157 0.221 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.886 -0.983 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 86 20.136 -1.451 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.490 -2.402 -3.926 1.00 0.00 H new ATOM 1185 N ASN A 87 20.561 -2.604 -6.780 1.00 0.00 N ATOM 1186 CA ASN A 87 19.306 -3.006 -7.404 1.00 0.00 C ATOM 1187 C ASN A 87 18.486 -3.883 -6.462 1.00 0.00 C ATOM 1188 O ASN A 87 18.766 -5.071 -6.300 1.00 0.00 O ATOM 1189 CB ASN A 87 19.578 -3.757 -8.709 1.00 0.00 C ATOM 1190 CG ASN A 87 18.441 -3.621 -9.702 1.00 0.00 C ATOM 1191 OD1 ASN A 87 17.313 -3.296 -9.331 1.00 0.00 O ATOM 1192 ND2 ASN A 87 18.733 -3.871 -10.974 1.00 0.00 N ATOM 0 H ASN A 87 21.038 -3.350 -6.274 1.00 0.00 H new ATOM 0 HA ASN A 87 18.734 -2.105 -7.624 1.00 0.00 H new ATOM 0 HB2 ASN A 87 20.496 -3.378 -9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 87 19.742 -4.812 -8.490 1.00 0.00 H new ATOM 0 HD21 ASN A 87 18.008 -3.796 -11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 87 19.682 -4.137 -11.237 1.00 0.00 H new ATOM 1199 N CYS A 88 17.472 -3.289 -5.842 1.00 0.00 N ATOM 1200 CA CYS A 88 16.611 -4.014 -4.915 1.00 0.00 C ATOM 1201 C CYS A 88 15.655 -4.935 -5.669 1.00 0.00 C ATOM 1202 O CYS A 88 15.051 -5.833 -5.083 1.00 0.00 O ATOM 1203 CB CYS A 88 15.816 -3.034 -4.051 1.00 0.00 C ATOM 1204 SG CYS A 88 16.851 -1.914 -3.054 1.00 0.00 S ATOM 0 H CYS A 88 17.226 -2.307 -5.965 1.00 0.00 H new ATOM 0 HA CYS A 88 17.245 -4.624 -4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 88 15.171 -2.438 -4.696 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.165 -3.599 -3.384 1.00 0.00 H new