USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 419 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 33 ASN : amide:sc= -1.85 K(o=-3,f=-9.6!) USER MOD Set 1.2: A 50 ASN : amide:sc= -1.14! C(o=-3!,f=-2.9!) USER MOD Set 2.1: A 8 THR OG1 : rot 172:sc= 0.774 USER MOD Set 2.2: A 10 SER OG : rot 86:sc= 0.859 USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.0622 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -125:sc= -0.037 (180deg=-0.748) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.775 K(o=0.77,f=-0.21) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.625 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -3.21! K(o=-3.2!,f=-2.1) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -172:sc=-0.000157 (180deg=-0.0758) USER MOD Single : A 30 LYS NZ :NH3+ -141:sc= -0.261 (180deg=-1.31!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.951 X(o=-0.95,f=-0.52) USER MOD Single : A 41 ASN : amide:sc= -2.28 K(o=-2.3,f=-1) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -33:sc= 0.949 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.238 0.007 -0.252 1.00 41.44 N ATOM 2 CA ALA A 1 1.868 -0.378 -1.509 1.00 23.21 C ATOM 3 C ALA A 1 3.272 -0.925 -1.274 1.00 3.22 C ATOM 4 O ALA A 1 3.911 -0.614 -0.268 1.00 35.32 O ATOM 5 CB ALA A 1 1.914 0.807 -2.462 1.00 71.10 C ATOM 0 H1 ALA A 1 0.549 -0.720 0.028 1.00 41.44 H new ATOM 0 H2 ALA A 1 1.964 0.098 0.487 1.00 41.44 H new ATOM 0 H3 ALA A 1 0.751 0.918 -0.373 1.00 41.44 H new ATOM 0 HA ALA A 1 1.268 -1.169 -1.960 1.00 23.21 H new ATOM 0 HB1 ALA A 1 2.387 0.504 -3.396 1.00 71.10 H new ATOM 0 HB2 ALA A 1 0.900 1.151 -2.664 1.00 71.10 H new ATOM 0 HB3 ALA A 1 2.488 1.616 -2.010 1.00 71.10 H new ATOM 11 N LYS A 2 3.748 -1.741 -2.208 1.00 24.12 N ATOM 12 CA LYS A 2 5.078 -2.331 -2.103 1.00 74.45 C ATOM 13 C LYS A 2 5.751 -2.401 -3.470 1.00 51.24 C ATOM 14 O LYS A 2 6.649 -1.614 -3.771 1.00 64.51 O ATOM 15 CB LYS A 2 4.989 -3.733 -1.495 1.00 5.21 C ATOM 16 CG LYS A 2 5.161 -3.752 0.014 1.00 21.41 C ATOM 17 CD LYS A 2 6.558 -4.199 0.411 1.00 62.23 C ATOM 18 CE LYS A 2 7.613 -3.204 -0.048 1.00 51.10 C ATOM 19 NZ LYS A 2 8.241 -3.615 -1.334 1.00 41.21 N ATOM 0 H LYS A 2 3.233 -2.009 -3.047 1.00 24.12 H new ATOM 0 HA LYS A 2 5.680 -1.696 -1.453 1.00 74.45 H new ATOM 0 HB2 LYS A 2 4.023 -4.169 -1.748 1.00 5.21 H new ATOM 0 HB3 LYS A 2 5.753 -4.366 -1.948 1.00 5.21 H new ATOM 0 HG2 LYS A 2 4.969 -2.757 0.415 1.00 21.41 H new ATOM 0 HG3 LYS A 2 4.424 -4.422 0.457 1.00 21.41 H new ATOM 0 HD2 LYS A 2 6.611 -4.313 1.494 1.00 62.23 H new ATOM 0 HD3 LYS A 2 6.765 -5.177 -0.023 1.00 62.23 H new ATOM 0 HE2 LYS A 2 7.158 -2.220 -0.164 1.00 51.10 H new ATOM 0 HE3 LYS A 2 8.382 -3.111 0.718 1.00 51.10 H new ATOM 0 HZ1 LYS A 2 9.273 -3.660 -1.217 1.00 41.21 H new ATOM 0 HZ2 LYS A 2 7.882 -4.551 -1.612 1.00 41.21 H new ATOM 0 HZ3 LYS A 2 8.006 -2.921 -2.072 1.00 41.21 H new ATOM 33 N TYR A 3 5.310 -3.345 -4.294 1.00 43.35 N ATOM 34 CA TYR A 3 5.871 -3.517 -5.629 1.00 42.23 C ATOM 35 C TYR A 3 4.765 -3.658 -6.671 1.00 25.01 C ATOM 36 O TYR A 3 3.622 -3.974 -6.342 1.00 15.34 O ATOM 37 CB TYR A 3 6.783 -4.744 -5.668 1.00 22.23 C ATOM 38 CG TYR A 3 8.165 -4.455 -6.208 1.00 63.04 C ATOM 39 CD1 TYR A 3 8.412 -4.457 -7.576 1.00 31.21 C ATOM 40 CD2 TYR A 3 9.225 -4.181 -5.352 1.00 55.33 C ATOM 41 CE1 TYR A 3 9.673 -4.194 -8.075 1.00 21.23 C ATOM 42 CE2 TYR A 3 10.489 -3.915 -5.842 1.00 75.12 C ATOM 43 CZ TYR A 3 10.708 -3.923 -7.204 1.00 31.31 C ATOM 44 OH TYR A 3 11.966 -3.661 -7.696 1.00 10.32 O ATOM 0 H TYR A 3 4.566 -4.003 -4.061 1.00 43.35 H new ATOM 0 HA TYR A 3 6.457 -2.629 -5.866 1.00 42.23 H new ATOM 0 HB2 TYR A 3 6.874 -5.151 -4.661 1.00 22.23 H new ATOM 0 HB3 TYR A 3 6.316 -5.514 -6.282 1.00 22.23 H new ATOM 0 HD1 TYR A 3 7.604 -4.668 -8.261 1.00 31.21 H new ATOM 0 HD2 TYR A 3 9.058 -4.176 -4.285 1.00 55.33 H new ATOM 0 HE1 TYR A 3 9.848 -4.200 -9.141 1.00 21.23 H new ATOM 0 HE2 TYR A 3 11.301 -3.702 -5.163 1.00 75.12 H new ATOM 0 HH TYR A 3 12.579 -3.489 -6.951 1.00 10.32 H new ATOM 54 N THR A 4 5.115 -3.422 -7.932 1.00 24.33 N ATOM 55 CA THR A 4 4.155 -3.522 -9.023 1.00 34.10 C ATOM 56 C THR A 4 4.176 -4.912 -9.649 1.00 43.22 C ATOM 57 O THR A 4 5.186 -5.335 -10.209 1.00 64.23 O ATOM 58 CB THR A 4 4.436 -2.474 -10.116 1.00 74.24 C ATOM 59 OG1 THR A 4 5.600 -1.712 -9.777 1.00 74.33 O ATOM 60 CG2 THR A 4 3.246 -1.542 -10.291 1.00 62.00 C ATOM 0 H THR A 4 6.057 -3.160 -8.222 1.00 24.33 H new ATOM 0 HA THR A 4 3.170 -3.335 -8.595 1.00 34.10 H new ATOM 0 HB THR A 4 4.607 -2.999 -11.056 1.00 74.24 H new ATOM 0 HG1 THR A 4 5.773 -1.049 -10.478 1.00 74.33 H new ATOM 0 HG21 THR A 4 3.468 -0.811 -11.068 1.00 62.00 H new ATOM 0 HG22 THR A 4 2.369 -2.122 -10.578 1.00 62.00 H new ATOM 0 HG23 THR A 4 3.048 -1.025 -9.352 1.00 62.00 H new ATOM 68 N GLY A 5 3.054 -5.618 -9.551 1.00 51.10 N ATOM 69 CA GLY A 5 2.966 -6.953 -10.113 1.00 53.23 C ATOM 70 C GLY A 5 1.813 -7.097 -11.088 1.00 5.44 C ATOM 71 O GLY A 5 0.953 -6.220 -11.178 1.00 22.43 O ATOM 0 H GLY A 5 2.204 -5.289 -9.092 1.00 51.10 H new ATOM 0 HA2 GLY A 5 3.900 -7.192 -10.622 1.00 53.23 H new ATOM 0 HA3 GLY A 5 2.848 -7.676 -9.306 1.00 53.23 H new ATOM 75 N LYS A 6 1.796 -8.204 -11.821 1.00 72.32 N ATOM 76 CA LYS A 6 0.741 -8.461 -12.795 1.00 23.11 C ATOM 77 C LYS A 6 0.420 -9.950 -12.868 1.00 75.35 C ATOM 78 O LYS A 6 1.317 -10.785 -12.984 1.00 44.14 O ATOM 79 CB LYS A 6 1.158 -7.950 -14.176 1.00 3.33 C ATOM 80 CG LYS A 6 2.646 -7.667 -14.296 1.00 71.41 C ATOM 81 CD LYS A 6 3.041 -7.359 -15.731 1.00 33.24 C ATOM 82 CE LYS A 6 4.425 -6.733 -15.806 1.00 32.05 C ATOM 83 NZ LYS A 6 5.150 -7.138 -17.041 1.00 44.54 N ATOM 0 H LYS A 6 2.501 -8.939 -11.760 1.00 72.32 H new ATOM 0 HA LYS A 6 -0.154 -7.929 -12.473 1.00 23.11 H new ATOM 0 HB2 LYS A 6 0.875 -8.687 -14.928 1.00 3.33 H new ATOM 0 HB3 LYS A 6 0.604 -7.038 -14.399 1.00 3.33 H new ATOM 0 HG2 LYS A 6 2.910 -6.825 -13.656 1.00 71.41 H new ATOM 0 HG3 LYS A 6 3.211 -8.528 -13.939 1.00 71.41 H new ATOM 0 HD2 LYS A 6 3.023 -8.276 -16.319 1.00 33.24 H new ATOM 0 HD3 LYS A 6 2.310 -6.682 -16.173 1.00 33.24 H new ATOM 0 HE2 LYS A 6 4.335 -5.647 -15.778 1.00 32.05 H new ATOM 0 HE3 LYS A 6 5.005 -7.028 -14.931 1.00 32.05 H new ATOM 0 HZ1 LYS A 6 6.089 -6.691 -17.055 1.00 44.54 H new ATOM 0 HZ2 LYS A 6 5.259 -8.172 -17.056 1.00 44.54 H new ATOM 0 HZ3 LYS A 6 4.610 -6.835 -17.876 1.00 44.54 H new ATOM 97 N CYS A 7 -0.867 -10.277 -12.802 1.00 2.03 N ATOM 98 CA CYS A 7 -1.308 -11.665 -12.862 1.00 22.22 C ATOM 99 C CYS A 7 -2.232 -11.891 -14.055 1.00 30.22 C ATOM 100 O CYS A 7 -3.065 -11.044 -14.379 1.00 62.03 O ATOM 101 CB CYS A 7 -2.025 -12.051 -11.567 1.00 12.23 C ATOM 102 SG CYS A 7 -3.735 -12.632 -11.808 1.00 42.43 S ATOM 0 H CYS A 7 -1.623 -9.599 -12.707 1.00 2.03 H new ATOM 0 HA CYS A 7 -0.427 -12.295 -12.983 1.00 22.22 H new ATOM 0 HB2 CYS A 7 -1.454 -12.834 -11.067 1.00 12.23 H new ATOM 0 HB3 CYS A 7 -2.036 -11.189 -10.900 1.00 12.23 H new ATOM 107 N THR A 8 -2.080 -13.041 -14.705 1.00 45.32 N ATOM 108 CA THR A 8 -2.899 -13.379 -15.862 1.00 43.33 C ATOM 109 C THR A 8 -3.971 -14.399 -15.498 1.00 11.14 C ATOM 110 O THR A 8 -3.669 -15.476 -14.984 1.00 70.54 O ATOM 111 CB THR A 8 -2.042 -13.940 -17.012 1.00 63.54 C ATOM 112 OG1 THR A 8 -2.865 -14.203 -18.154 1.00 35.42 O ATOM 113 CG2 THR A 8 -1.334 -15.218 -16.586 1.00 53.11 C ATOM 0 H THR A 8 -1.397 -13.754 -14.449 1.00 45.32 H new ATOM 0 HA THR A 8 -3.377 -12.456 -16.191 1.00 43.33 H new ATOM 0 HB THR A 8 -1.289 -13.195 -17.271 1.00 63.54 H new ATOM 0 HG1 THR A 8 -2.298 -14.436 -18.919 1.00 35.42 H new ATOM 0 HG21 THR A 8 -0.735 -15.596 -17.415 1.00 53.11 H new ATOM 0 HG22 THR A 8 -0.686 -15.008 -15.735 1.00 53.11 H new ATOM 0 HG23 THR A 8 -2.074 -15.967 -16.303 1.00 53.11 H new ATOM 121 N LYS A 9 -5.226 -14.053 -15.766 1.00 64.23 N ATOM 122 CA LYS A 9 -6.344 -14.940 -15.469 1.00 14.54 C ATOM 123 C LYS A 9 -6.167 -16.290 -16.156 1.00 1.41 C ATOM 124 O LYS A 9 -6.768 -17.285 -15.754 1.00 35.43 O ATOM 125 CB LYS A 9 -7.661 -14.299 -15.912 1.00 54.33 C ATOM 126 CG LYS A 9 -8.769 -14.407 -14.879 1.00 10.25 C ATOM 127 CD LYS A 9 -9.713 -15.556 -15.190 1.00 63.15 C ATOM 128 CE LYS A 9 -11.150 -15.210 -14.831 1.00 62.53 C ATOM 129 NZ LYS A 9 -11.475 -15.582 -13.426 1.00 50.14 N ATOM 0 H LYS A 9 -5.494 -13.164 -16.189 1.00 64.23 H new ATOM 0 HA LYS A 9 -6.370 -15.102 -14.391 1.00 14.54 H new ATOM 0 HB2 LYS A 9 -7.486 -13.247 -16.136 1.00 54.33 H new ATOM 0 HB3 LYS A 9 -7.992 -14.771 -16.837 1.00 54.33 H new ATOM 0 HG2 LYS A 9 -8.333 -14.551 -13.890 1.00 10.25 H new ATOM 0 HG3 LYS A 9 -9.330 -13.473 -14.847 1.00 10.25 H new ATOM 0 HD2 LYS A 9 -9.651 -15.802 -16.250 1.00 63.15 H new ATOM 0 HD3 LYS A 9 -9.402 -16.443 -14.638 1.00 63.15 H new ATOM 0 HE2 LYS A 9 -11.312 -14.141 -14.971 1.00 62.53 H new ATOM 0 HE3 LYS A 9 -11.829 -15.727 -15.510 1.00 62.53 H new ATOM 0 HZ1 LYS A 9 -12.463 -15.330 -13.220 1.00 50.14 H new ATOM 0 HZ2 LYS A 9 -11.345 -16.606 -13.299 1.00 50.14 H new ATOM 0 HZ3 LYS A 9 -10.845 -15.070 -12.777 1.00 50.14 H new ATOM 143 N SER A 10 -5.336 -16.316 -17.193 1.00 54.24 N ATOM 144 CA SER A 10 -5.082 -17.544 -17.938 1.00 4.52 C ATOM 145 C SER A 10 -4.431 -18.595 -17.045 1.00 24.24 C ATOM 146 O SER A 10 -4.811 -19.766 -17.065 1.00 22.01 O ATOM 147 CB SER A 10 -4.185 -17.257 -19.144 1.00 53.10 C ATOM 148 OG SER A 10 -4.469 -15.985 -19.700 1.00 14.44 O ATOM 0 H SER A 10 -4.827 -15.501 -17.536 1.00 54.24 H new ATOM 0 HA SER A 10 -6.038 -17.932 -18.289 1.00 4.52 H new ATOM 0 HB2 SER A 10 -3.139 -17.300 -18.841 1.00 53.10 H new ATOM 0 HB3 SER A 10 -4.330 -18.028 -19.900 1.00 53.10 H new ATOM 0 HG SER A 10 -3.957 -15.298 -19.224 1.00 14.44 H new ATOM 154 N LYS A 11 -3.446 -18.169 -16.261 1.00 12.15 N ATOM 155 CA LYS A 11 -2.741 -19.071 -15.358 1.00 31.21 C ATOM 156 C LYS A 11 -3.167 -18.837 -13.912 1.00 43.30 C ATOM 157 O LYS A 11 -2.726 -19.539 -13.004 1.00 22.52 O ATOM 158 CB LYS A 11 -1.229 -18.881 -15.493 1.00 25.24 C ATOM 159 CG LYS A 11 -0.573 -19.871 -16.440 1.00 53.35 C ATOM 160 CD LYS A 11 -0.187 -19.212 -17.754 1.00 72.44 C ATOM 161 CE LYS A 11 1.313 -18.979 -17.841 1.00 64.43 C ATOM 162 NZ LYS A 11 1.780 -18.887 -19.253 1.00 15.25 N ATOM 0 H LYS A 11 -3.118 -17.204 -16.233 1.00 12.15 H new ATOM 0 HA LYS A 11 -2.998 -20.094 -15.632 1.00 31.21 H new ATOM 0 HB2 LYS A 11 -1.029 -17.869 -15.843 1.00 25.24 H new ATOM 0 HB3 LYS A 11 -0.770 -18.974 -14.509 1.00 25.24 H new ATOM 0 HG2 LYS A 11 0.315 -20.293 -15.969 1.00 53.35 H new ATOM 0 HG3 LYS A 11 -1.256 -20.698 -16.633 1.00 53.35 H new ATOM 0 HD2 LYS A 11 -0.508 -19.840 -18.585 1.00 72.44 H new ATOM 0 HD3 LYS A 11 -0.710 -18.261 -17.853 1.00 72.44 H new ATOM 0 HE2 LYS A 11 1.569 -18.060 -17.313 1.00 64.43 H new ATOM 0 HE3 LYS A 11 1.836 -19.792 -17.338 1.00 64.43 H new ATOM 0 HZ1 LYS A 11 2.808 -18.728 -19.269 1.00 15.25 H new ATOM 0 HZ2 LYS A 11 1.559 -19.773 -19.750 1.00 15.25 H new ATOM 0 HZ3 LYS A 11 1.300 -18.095 -19.727 1.00 15.25 H new ATOM 176 N ASN A 12 -4.028 -17.845 -13.707 1.00 5.02 N ATOM 177 CA ASN A 12 -4.513 -17.519 -12.371 1.00 14.11 C ATOM 178 C ASN A 12 -3.352 -17.347 -11.396 1.00 71.35 C ATOM 179 O ASN A 12 -3.441 -17.743 -10.235 1.00 2.03 O ATOM 180 CB ASN A 12 -5.458 -18.612 -11.868 1.00 73.32 C ATOM 181 CG ASN A 12 -6.782 -18.054 -11.382 1.00 60.14 C ATOM 182 OD1 ASN A 12 -7.417 -17.250 -12.065 1.00 33.21 O ATOM 183 ND2 ASN A 12 -7.204 -18.479 -10.197 1.00 62.22 N ATOM 0 H ASN A 12 -4.404 -17.254 -14.448 1.00 5.02 H new ATOM 0 HA ASN A 12 -5.057 -16.576 -12.430 1.00 14.11 H new ATOM 0 HB2 ASN A 12 -5.641 -19.327 -12.670 1.00 73.32 H new ATOM 0 HB3 ASN A 12 -4.978 -19.159 -11.057 1.00 73.32 H new ATOM 0 HD21 ASN A 12 -8.088 -18.138 -9.818 1.00 62.22 H new ATOM 0 HD22 ASN A 12 -6.645 -19.146 -9.666 1.00 62.22 H new ATOM 190 N GLU A 13 -2.264 -16.754 -11.879 1.00 35.21 N ATOM 191 CA GLU A 13 -1.086 -16.531 -11.050 1.00 42.31 C ATOM 192 C GLU A 13 -0.482 -15.156 -11.322 1.00 41.05 C ATOM 193 O GLU A 13 -0.730 -14.552 -12.367 1.00 25.32 O ATOM 194 CB GLU A 13 -0.041 -17.619 -11.306 1.00 41.34 C ATOM 195 CG GLU A 13 1.049 -17.199 -12.278 1.00 60.03 C ATOM 196 CD GLU A 13 0.548 -17.089 -13.705 1.00 54.31 C ATOM 197 OE1 GLU A 13 -0.578 -16.583 -13.900 1.00 62.42 O ATOM 198 OE2 GLU A 13 1.280 -17.507 -14.626 1.00 34.41 O ATOM 0 H GLU A 13 -2.175 -16.420 -12.839 1.00 35.21 H new ATOM 0 HA GLU A 13 -1.395 -16.573 -10.006 1.00 42.31 H new ATOM 0 HB2 GLU A 13 0.418 -17.901 -10.358 1.00 41.34 H new ATOM 0 HB3 GLU A 13 -0.540 -18.507 -11.695 1.00 41.34 H new ATOM 0 HG2 GLU A 13 1.459 -16.238 -11.966 1.00 60.03 H new ATOM 0 HG3 GLU A 13 1.864 -17.921 -12.238 1.00 60.03 H new ATOM 205 N CYS A 14 0.311 -14.667 -10.375 1.00 43.43 N ATOM 206 CA CYS A 14 0.951 -13.363 -10.511 1.00 35.35 C ATOM 207 C CYS A 14 2.469 -13.492 -10.433 1.00 41.25 C ATOM 208 O CYS A 14 2.995 -14.421 -9.820 1.00 72.14 O ATOM 209 CB CYS A 14 0.452 -12.412 -9.421 1.00 22.12 C ATOM 210 SG CYS A 14 0.722 -10.649 -9.792 1.00 72.25 S ATOM 0 H CYS A 14 0.526 -15.154 -9.505 1.00 43.43 H new ATOM 0 HA CYS A 14 0.688 -12.956 -11.488 1.00 35.35 H new ATOM 0 HB2 CYS A 14 -0.614 -12.581 -9.267 1.00 22.12 H new ATOM 0 HB3 CYS A 14 0.952 -12.656 -8.484 1.00 22.12 H new ATOM 215 N LYS A 15 3.169 -12.552 -11.060 1.00 2.03 N ATOM 216 CA LYS A 15 4.627 -12.557 -11.062 1.00 23.20 C ATOM 217 C LYS A 15 5.176 -11.148 -11.262 1.00 21.15 C ATOM 218 O LYS A 15 4.646 -10.372 -12.057 1.00 63.12 O ATOM 219 CB LYS A 15 5.153 -13.481 -12.163 1.00 33.31 C ATOM 220 CG LYS A 15 5.104 -12.864 -13.550 1.00 1.12 C ATOM 221 CD LYS A 15 3.674 -12.634 -14.008 1.00 13.11 C ATOM 222 CE LYS A 15 3.499 -12.971 -15.481 1.00 20.43 C ATOM 223 NZ LYS A 15 2.805 -11.882 -16.221 1.00 12.51 N ATOM 0 H LYS A 15 2.750 -11.777 -11.573 1.00 2.03 H new ATOM 0 HA LYS A 15 4.965 -12.926 -10.094 1.00 23.20 H new ATOM 0 HB2 LYS A 15 6.182 -13.757 -11.933 1.00 33.31 H new ATOM 0 HB3 LYS A 15 4.569 -14.401 -12.163 1.00 33.31 H new ATOM 0 HG2 LYS A 15 5.643 -11.916 -13.547 1.00 1.12 H new ATOM 0 HG3 LYS A 15 5.613 -13.518 -14.258 1.00 1.12 H new ATOM 0 HD2 LYS A 15 2.997 -13.245 -13.411 1.00 13.11 H new ATOM 0 HD3 LYS A 15 3.399 -11.593 -13.837 1.00 13.11 H new ATOM 0 HE2 LYS A 15 4.476 -13.150 -15.931 1.00 20.43 H new ATOM 0 HE3 LYS A 15 2.929 -13.895 -15.577 1.00 20.43 H new ATOM 0 HZ1 LYS A 15 2.705 -12.150 -17.221 1.00 12.51 H new ATOM 0 HZ2 LYS A 15 1.863 -11.728 -15.808 1.00 12.51 H new ATOM 0 HZ3 LYS A 15 3.361 -11.006 -16.152 1.00 12.51 H new ATOM 237 N TYR A 16 6.241 -10.825 -10.536 1.00 14.42 N ATOM 238 CA TYR A 16 6.860 -9.508 -10.633 1.00 25.43 C ATOM 239 C TYR A 16 8.370 -9.601 -10.434 1.00 22.34 C ATOM 240 O TYR A 16 8.892 -10.637 -10.020 1.00 72.12 O ATOM 241 CB TYR A 16 6.256 -8.559 -9.597 1.00 34.20 C ATOM 242 CG TYR A 16 6.684 -8.859 -8.178 1.00 50.32 C ATOM 243 CD1 TYR A 16 6.239 -10.001 -7.524 1.00 14.32 C ATOM 244 CD2 TYR A 16 7.533 -7.999 -7.492 1.00 31.53 C ATOM 245 CE1 TYR A 16 6.627 -10.278 -6.227 1.00 74.23 C ATOM 246 CE2 TYR A 16 7.927 -8.270 -6.196 1.00 3.34 C ATOM 247 CZ TYR A 16 7.471 -9.410 -5.568 1.00 24.13 C ATOM 248 OH TYR A 16 7.861 -9.682 -4.276 1.00 71.12 O ATOM 0 H TYR A 16 6.693 -11.456 -9.875 1.00 14.42 H new ATOM 0 HA TYR A 16 6.666 -9.116 -11.631 1.00 25.43 H new ATOM 0 HB2 TYR A 16 6.540 -7.536 -9.845 1.00 34.20 H new ATOM 0 HB3 TYR A 16 5.169 -8.612 -9.658 1.00 34.20 H new ATOM 0 HD1 TYR A 16 5.579 -10.684 -8.038 1.00 14.32 H new ATOM 0 HD2 TYR A 16 7.891 -7.104 -7.980 1.00 31.53 H new ATOM 0 HE1 TYR A 16 6.271 -11.170 -5.732 1.00 74.23 H new ATOM 0 HE2 TYR A 16 8.589 -7.592 -5.677 1.00 3.34 H new ATOM 0 HH TYR A 16 8.456 -8.972 -3.958 1.00 71.12 H new ATOM 258 N LYS A 17 9.068 -8.510 -10.730 1.00 54.04 N ATOM 259 CA LYS A 17 10.518 -8.464 -10.583 1.00 75.43 C ATOM 260 C LYS A 17 10.908 -8.027 -9.175 1.00 50.21 C ATOM 261 O LYS A 17 10.433 -7.007 -8.678 1.00 52.21 O ATOM 262 CB LYS A 17 11.125 -7.509 -11.613 1.00 4.14 C ATOM 263 CG LYS A 17 12.632 -7.641 -11.749 1.00 44.41 C ATOM 264 CD LYS A 17 13.340 -6.342 -11.400 1.00 14.14 C ATOM 265 CE LYS A 17 14.846 -6.463 -11.573 1.00 72.15 C ATOM 266 NZ LYS A 17 15.267 -6.185 -12.975 1.00 35.04 N ATOM 0 H LYS A 17 8.652 -7.644 -11.074 1.00 54.04 H new ATOM 0 HA LYS A 17 10.908 -9.467 -10.753 1.00 75.43 H new ATOM 0 HB2 LYS A 17 10.663 -7.693 -12.583 1.00 4.14 H new ATOM 0 HB3 LYS A 17 10.882 -6.484 -11.333 1.00 4.14 H new ATOM 0 HG2 LYS A 17 12.989 -8.438 -11.096 1.00 44.41 H new ATOM 0 HG3 LYS A 17 12.882 -7.930 -12.770 1.00 44.41 H new ATOM 0 HD2 LYS A 17 12.963 -5.540 -12.034 1.00 14.14 H new ATOM 0 HD3 LYS A 17 13.112 -6.068 -10.370 1.00 14.14 H new ATOM 0 HE2 LYS A 17 15.346 -5.768 -10.899 1.00 72.15 H new ATOM 0 HE3 LYS A 17 15.165 -7.466 -11.290 1.00 72.15 H new ATOM 0 HZ1 LYS A 17 16.300 -6.278 -13.052 1.00 35.04 H new ATOM 0 HZ2 LYS A 17 14.810 -6.864 -13.616 1.00 35.04 H new ATOM 0 HZ3 LYS A 17 14.986 -5.219 -13.237 1.00 35.04 H new ATOM 280 N ASN A 18 11.777 -8.805 -8.538 1.00 44.23 N ATOM 281 CA ASN A 18 12.232 -8.496 -7.187 1.00 63.35 C ATOM 282 C ASN A 18 13.710 -8.115 -7.185 1.00 33.53 C ATOM 283 O ASN A 18 14.355 -8.082 -8.233 1.00 14.14 O ATOM 284 CB ASN A 18 12.001 -9.694 -6.263 1.00 50.43 C ATOM 285 CG ASN A 18 12.198 -11.019 -6.974 1.00 2.15 C ATOM 286 OD1 ASN A 18 11.375 -11.425 -7.793 1.00 55.04 O ATOM 287 ND2 ASN A 18 13.294 -11.700 -6.661 1.00 23.23 N ATOM 0 H ASN A 18 12.180 -9.654 -8.935 1.00 44.23 H new ATOM 0 HA ASN A 18 11.656 -7.646 -6.821 1.00 63.35 H new ATOM 0 HB2 ASN A 18 12.685 -9.634 -5.417 1.00 50.43 H new ATOM 0 HB3 ASN A 18 10.990 -9.648 -5.859 1.00 50.43 H new ATOM 0 HD21 ASN A 18 13.481 -12.599 -7.106 1.00 23.23 H new ATOM 0 HD22 ASN A 18 13.949 -11.324 -5.976 1.00 23.23 H new ATOM 294 N SER A 19 14.239 -7.830 -5.999 1.00 43.15 N ATOM 295 CA SER A 19 15.640 -7.448 -5.860 1.00 33.30 C ATOM 296 C SER A 19 16.558 -8.616 -6.208 1.00 2.12 C ATOM 297 O SER A 19 17.620 -8.429 -6.801 1.00 21.12 O ATOM 298 CB SER A 19 15.921 -6.971 -4.434 1.00 34.12 C ATOM 299 OG SER A 19 16.568 -5.711 -4.436 1.00 42.40 O ATOM 0 H SER A 19 13.719 -7.856 -5.122 1.00 43.15 H new ATOM 0 HA SER A 19 15.840 -6.632 -6.554 1.00 33.30 H new ATOM 0 HB2 SER A 19 14.985 -6.902 -3.879 1.00 34.12 H new ATOM 0 HB3 SER A 19 16.544 -7.702 -3.919 1.00 34.12 H new ATOM 0 HG SER A 19 16.735 -5.428 -3.513 1.00 42.40 H new ATOM 305 N ALA A 20 16.140 -9.821 -5.834 1.00 4.21 N ATOM 306 CA ALA A 20 16.923 -11.020 -6.107 1.00 41.44 C ATOM 307 C ALA A 20 17.154 -11.195 -7.605 1.00 10.25 C ATOM 308 O ALA A 20 18.166 -11.753 -8.025 1.00 44.13 O ATOM 309 CB ALA A 20 16.230 -12.245 -5.531 1.00 71.43 C ATOM 0 H ALA A 20 15.264 -9.993 -5.341 1.00 4.21 H new ATOM 0 HA ALA A 20 17.895 -10.907 -5.627 1.00 41.44 H new ATOM 0 HB1 ALA A 20 16.826 -13.133 -5.742 1.00 71.43 H new ATOM 0 HB2 ALA A 20 16.122 -12.129 -4.453 1.00 71.43 H new ATOM 0 HB3 ALA A 20 15.245 -12.353 -5.985 1.00 71.43 H new ATOM 315 N GLY A 21 16.207 -10.715 -8.405 1.00 41.41 N ATOM 316 CA GLY A 21 16.326 -10.829 -9.847 1.00 23.12 C ATOM 317 C GLY A 21 15.659 -12.079 -10.386 1.00 43.23 C ATOM 318 O GLY A 21 15.383 -12.178 -11.582 1.00 15.41 O ATOM 0 H GLY A 21 15.360 -10.249 -8.080 1.00 41.41 H new ATOM 0 HA2 GLY A 21 15.880 -9.952 -10.316 1.00 23.12 H new ATOM 0 HA3 GLY A 21 17.381 -10.836 -10.122 1.00 23.12 H new ATOM 322 N LYS A 22 15.401 -13.038 -9.504 1.00 4.14 N ATOM 323 CA LYS A 22 14.763 -14.289 -9.897 1.00 2.45 C ATOM 324 C LYS A 22 13.246 -14.137 -9.933 1.00 32.22 C ATOM 325 O LYS A 22 12.607 -13.943 -8.898 1.00 60.24 O ATOM 326 CB LYS A 22 15.152 -15.409 -8.929 1.00 74.12 C ATOM 327 CG LYS A 22 16.646 -15.677 -8.877 1.00 52.11 C ATOM 328 CD LYS A 22 17.123 -15.897 -7.451 1.00 44.35 C ATOM 329 CE LYS A 22 18.224 -16.945 -7.388 1.00 35.23 C ATOM 330 NZ LYS A 22 19.504 -16.441 -7.958 1.00 34.31 N ATOM 0 H LYS A 22 15.624 -12.973 -8.511 1.00 4.14 H new ATOM 0 HA LYS A 22 15.108 -14.546 -10.898 1.00 2.45 H new ATOM 0 HB2 LYS A 22 14.803 -15.151 -7.929 1.00 74.12 H new ATOM 0 HB3 LYS A 22 14.637 -16.325 -9.220 1.00 74.12 H new ATOM 0 HG2 LYS A 22 16.881 -16.554 -9.480 1.00 52.11 H new ATOM 0 HG3 LYS A 22 17.183 -14.836 -9.316 1.00 52.11 H new ATOM 0 HD2 LYS A 22 17.490 -14.957 -7.040 1.00 44.35 H new ATOM 0 HD3 LYS A 22 16.284 -16.211 -6.830 1.00 44.35 H new ATOM 0 HE2 LYS A 22 18.381 -17.245 -6.352 1.00 35.23 H new ATOM 0 HE3 LYS A 22 17.910 -17.835 -7.933 1.00 35.23 H new ATOM 0 HZ1 LYS A 22 20.228 -17.185 -7.896 1.00 34.31 H new ATOM 0 HZ2 LYS A 22 19.361 -16.179 -8.954 1.00 34.31 H new ATOM 0 HZ3 LYS A 22 19.818 -15.607 -7.422 1.00 34.31 H new ATOM 344 N ASP A 23 12.675 -14.228 -11.129 1.00 23.50 N ATOM 345 CA ASP A 23 11.232 -14.104 -11.299 1.00 63.23 C ATOM 346 C ASP A 23 10.491 -15.053 -10.363 1.00 31.20 C ATOM 347 O ASP A 23 10.813 -16.239 -10.280 1.00 73.11 O ATOM 348 CB ASP A 23 10.842 -14.391 -12.750 1.00 50.01 C ATOM 349 CG ASP A 23 11.627 -15.544 -13.344 1.00 33.44 C ATOM 350 OD1 ASP A 23 11.112 -16.682 -13.329 1.00 71.43 O ATOM 351 OD2 ASP A 23 12.755 -15.309 -13.823 1.00 62.11 O ATOM 0 H ASP A 23 13.189 -14.387 -11.995 1.00 23.50 H new ATOM 0 HA ASP A 23 10.948 -13.082 -11.050 1.00 63.23 H new ATOM 0 HB2 ASP A 23 9.777 -14.617 -12.799 1.00 50.01 H new ATOM 0 HB3 ASP A 23 11.006 -13.496 -13.351 1.00 50.01 H new ATOM 356 N THR A 24 9.496 -14.523 -9.657 1.00 63.55 N ATOM 357 CA THR A 24 8.711 -15.322 -8.725 1.00 54.02 C ATOM 358 C THR A 24 7.244 -15.364 -9.138 1.00 13.31 C ATOM 359 O THR A 24 6.616 -14.324 -9.343 1.00 22.42 O ATOM 360 CB THR A 24 8.813 -14.772 -7.290 1.00 31.41 C ATOM 361 OG1 THR A 24 7.987 -15.543 -6.410 1.00 63.50 O ATOM 362 CG2 THR A 24 8.392 -13.312 -7.239 1.00 14.55 C ATOM 0 H THR A 24 9.215 -13.544 -9.714 1.00 63.55 H new ATOM 0 HA THR A 24 9.122 -16.331 -8.749 1.00 54.02 H new ATOM 0 HB THR A 24 9.852 -14.845 -6.969 1.00 31.41 H new ATOM 0 HG1 THR A 24 8.059 -15.188 -5.499 1.00 63.50 H new ATOM 0 HG21 THR A 24 8.472 -12.946 -6.216 1.00 14.55 H new ATOM 0 HG22 THR A 24 9.041 -12.723 -7.887 1.00 14.55 H new ATOM 0 HG23 THR A 24 7.360 -13.219 -7.578 1.00 14.55 H new ATOM 370 N PHE A 25 6.702 -16.571 -9.258 1.00 34.14 N ATOM 371 CA PHE A 25 5.307 -16.748 -9.646 1.00 63.13 C ATOM 372 C PHE A 25 4.590 -17.691 -8.684 1.00 50.43 C ATOM 373 O PHE A 25 5.188 -18.629 -8.156 1.00 50.35 O ATOM 374 CB PHE A 25 5.219 -17.293 -11.073 1.00 72.22 C ATOM 375 CG PHE A 25 5.982 -18.571 -11.275 1.00 43.23 C ATOM 376 CD1 PHE A 25 5.361 -19.798 -11.110 1.00 61.24 C ATOM 377 CD2 PHE A 25 7.322 -18.544 -11.630 1.00 34.23 C ATOM 378 CE1 PHE A 25 6.061 -20.976 -11.296 1.00 12.31 C ATOM 379 CE2 PHE A 25 8.026 -19.718 -11.817 1.00 62.30 C ATOM 380 CZ PHE A 25 7.395 -20.936 -11.649 1.00 4.53 C ATOM 0 H PHE A 25 7.207 -17.441 -9.092 1.00 34.14 H new ATOM 0 HA PHE A 25 4.818 -15.775 -9.605 1.00 63.13 H new ATOM 0 HB2 PHE A 25 4.172 -17.461 -11.325 1.00 72.22 H new ATOM 0 HB3 PHE A 25 5.597 -16.540 -11.765 1.00 72.22 H new ATOM 0 HD1 PHE A 25 4.318 -19.835 -10.833 1.00 61.24 H new ATOM 0 HD2 PHE A 25 7.821 -17.595 -11.762 1.00 34.23 H new ATOM 0 HE1 PHE A 25 5.565 -21.926 -11.165 1.00 12.31 H new ATOM 0 HE2 PHE A 25 9.069 -19.684 -12.094 1.00 62.30 H new ATOM 0 HZ PHE A 25 7.944 -21.855 -11.794 1.00 4.53 H new ATOM 390 N ILE A 26 3.306 -17.433 -8.461 1.00 74.53 N ATOM 391 CA ILE A 26 2.507 -18.258 -7.564 1.00 35.52 C ATOM 392 C ILE A 26 1.044 -18.284 -7.996 1.00 44.30 C ATOM 393 O ILE A 26 0.415 -17.238 -8.160 1.00 24.13 O ATOM 394 CB ILE A 26 2.592 -17.755 -6.111 1.00 20.23 C ATOM 395 CG1 ILE A 26 1.721 -18.620 -5.197 1.00 4.35 C ATOM 396 CG2 ILE A 26 2.169 -16.296 -6.030 1.00 33.22 C ATOM 397 CD1 ILE A 26 2.254 -18.733 -3.785 1.00 52.22 C ATOM 0 H ILE A 26 2.797 -16.660 -8.889 1.00 74.53 H new ATOM 0 HA ILE A 26 2.916 -19.267 -7.616 1.00 35.52 H new ATOM 0 HB ILE A 26 3.626 -17.832 -5.775 1.00 20.23 H new ATOM 0 HG12 ILE A 26 0.715 -18.202 -5.165 1.00 4.35 H new ATOM 0 HG13 ILE A 26 1.637 -19.618 -5.626 1.00 4.35 H new ATOM 0 HG21 ILE A 26 2.234 -15.955 -4.997 1.00 33.22 H new ATOM 0 HG22 ILE A 26 2.827 -15.691 -6.654 1.00 33.22 H new ATOM 0 HG23 ILE A 26 1.142 -16.195 -6.381 1.00 33.22 H new ATOM 0 HD11 ILE A 26 1.587 -19.360 -3.193 1.00 52.22 H new ATOM 0 HD12 ILE A 26 3.248 -19.179 -3.806 1.00 52.22 H new ATOM 0 HD13 ILE A 26 2.311 -17.741 -3.337 1.00 52.22 H new ATOM 409 N LYS A 27 0.508 -19.486 -8.178 1.00 14.51 N ATOM 410 CA LYS A 27 -0.882 -19.649 -8.588 1.00 61.30 C ATOM 411 C LYS A 27 -1.824 -19.467 -7.402 1.00 72.05 C ATOM 412 O LYS A 27 -1.497 -19.835 -6.274 1.00 3.42 O ATOM 413 CB LYS A 27 -1.092 -21.031 -9.212 1.00 44.21 C ATOM 414 CG LYS A 27 -0.333 -21.232 -10.513 1.00 33.24 C ATOM 415 CD LYS A 27 0.283 -22.619 -10.590 1.00 33.11 C ATOM 416 CE LYS A 27 1.085 -22.802 -11.869 1.00 71.22 C ATOM 417 NZ LYS A 27 0.215 -22.775 -13.078 1.00 23.43 N ATOM 0 H LYS A 27 1.015 -20.362 -8.048 1.00 14.51 H new ATOM 0 HA LYS A 27 -1.108 -18.883 -9.330 1.00 61.30 H new ATOM 0 HB2 LYS A 27 -0.781 -21.794 -8.498 1.00 44.21 H new ATOM 0 HB3 LYS A 27 -2.156 -21.180 -9.395 1.00 44.21 H new ATOM 0 HG2 LYS A 27 -1.008 -21.085 -11.356 1.00 33.24 H new ATOM 0 HG3 LYS A 27 0.451 -20.479 -10.598 1.00 33.24 H new ATOM 0 HD2 LYS A 27 0.930 -22.779 -9.728 1.00 33.11 H new ATOM 0 HD3 LYS A 27 -0.504 -23.371 -10.542 1.00 33.11 H new ATOM 0 HE2 LYS A 27 1.835 -22.014 -11.943 1.00 71.22 H new ATOM 0 HE3 LYS A 27 1.622 -23.750 -11.829 1.00 71.22 H new ATOM 0 HZ1 LYS A 27 0.775 -23.037 -13.914 1.00 23.43 H new ATOM 0 HZ2 LYS A 27 -0.566 -23.451 -12.959 1.00 23.43 H new ATOM 0 HZ3 LYS A 27 -0.172 -21.818 -13.206 1.00 23.43 H new ATOM 431 N CYS A 28 -2.996 -18.899 -7.666 1.00 12.21 N ATOM 432 CA CYS A 28 -3.987 -18.669 -6.621 1.00 41.45 C ATOM 433 C CYS A 28 -5.274 -19.435 -6.914 1.00 41.42 C ATOM 434 O CYS A 28 -5.703 -19.562 -8.061 1.00 42.13 O ATOM 435 CB CYS A 28 -4.288 -17.174 -6.495 1.00 43.22 C ATOM 436 SG CYS A 28 -2.804 -16.124 -6.373 1.00 64.54 S ATOM 0 H CYS A 28 -3.283 -18.589 -8.595 1.00 12.21 H new ATOM 0 HA CYS A 28 -3.576 -19.031 -5.679 1.00 41.45 H new ATOM 0 HB2 CYS A 28 -4.873 -16.858 -7.359 1.00 43.22 H new ATOM 0 HB3 CYS A 28 -4.908 -17.012 -5.613 1.00 43.22 H new ATOM 441 N PRO A 29 -5.906 -19.957 -5.853 1.00 24.42 N ATOM 442 CA PRO A 29 -7.153 -20.719 -5.970 1.00 3.02 C ATOM 443 C PRO A 29 -8.334 -19.839 -6.363 1.00 74.22 C ATOM 444 O PRO A 29 -8.156 -18.715 -6.833 1.00 70.31 O ATOM 445 CB PRO A 29 -7.354 -21.288 -4.563 1.00 13.40 C ATOM 446 CG PRO A 29 -6.628 -20.345 -3.666 1.00 34.51 C ATOM 447 CD PRO A 29 -5.451 -19.845 -4.457 1.00 14.24 C ATOM 0 HA PRO A 29 -7.095 -21.480 -6.748 1.00 3.02 H new ATOM 0 HB2 PRO A 29 -8.412 -21.344 -4.306 1.00 13.40 H new ATOM 0 HB3 PRO A 29 -6.953 -22.298 -4.483 1.00 13.40 H new ATOM 0 HG2 PRO A 29 -7.273 -19.520 -3.362 1.00 34.51 H new ATOM 0 HG3 PRO A 29 -6.301 -20.846 -2.755 1.00 34.51 H new ATOM 0 HD2 PRO A 29 -5.200 -18.817 -4.197 1.00 14.24 H new ATOM 0 HD3 PRO A 29 -4.560 -20.446 -4.275 1.00 14.24 H new ATOM 455 N LYS A 30 -9.542 -20.357 -6.168 1.00 34.10 N ATOM 456 CA LYS A 30 -10.755 -19.619 -6.500 1.00 42.45 C ATOM 457 C LYS A 30 -11.472 -19.153 -5.237 1.00 60.13 C ATOM 458 O LYS A 30 -12.615 -18.698 -5.292 1.00 62.21 O ATOM 459 CB LYS A 30 -11.692 -20.489 -7.341 1.00 14.33 C ATOM 460 CG LYS A 30 -11.233 -20.665 -8.778 1.00 34.53 C ATOM 461 CD LYS A 30 -12.412 -20.739 -9.734 1.00 64.53 C ATOM 462 CE LYS A 30 -13.009 -19.364 -9.991 1.00 25.22 C ATOM 463 NZ LYS A 30 -14.226 -19.126 -9.167 1.00 50.31 N ATOM 0 H LYS A 30 -9.707 -21.286 -5.781 1.00 34.10 H new ATOM 0 HA LYS A 30 -10.469 -18.740 -7.078 1.00 42.45 H new ATOM 0 HB2 LYS A 30 -11.780 -21.470 -6.874 1.00 14.33 H new ATOM 0 HB3 LYS A 30 -12.687 -20.044 -7.338 1.00 14.33 H new ATOM 0 HG2 LYS A 30 -10.587 -19.833 -9.059 1.00 34.53 H new ATOM 0 HG3 LYS A 30 -10.637 -21.574 -8.862 1.00 34.53 H new ATOM 0 HD2 LYS A 30 -12.089 -21.179 -10.678 1.00 64.53 H new ATOM 0 HD3 LYS A 30 -13.176 -21.397 -9.320 1.00 64.53 H new ATOM 0 HE2 LYS A 30 -12.265 -18.598 -9.771 1.00 25.22 H new ATOM 0 HE3 LYS A 30 -13.261 -19.269 -11.047 1.00 25.22 H new ATOM 0 HZ1 LYS A 30 -14.933 -18.614 -9.732 1.00 50.31 H new ATOM 0 HZ2 LYS A 30 -14.622 -20.038 -8.861 1.00 50.31 H new ATOM 0 HZ3 LYS A 30 -13.974 -18.560 -8.331 1.00 50.31 H new ATOM 477 N PHE A 31 -10.793 -19.268 -4.101 1.00 34.45 N ATOM 478 CA PHE A 31 -11.366 -18.859 -2.823 1.00 41.35 C ATOM 479 C PHE A 31 -11.133 -17.371 -2.575 1.00 62.31 C ATOM 480 O PHE A 31 -10.451 -16.701 -3.350 1.00 43.14 O ATOM 481 CB PHE A 31 -10.761 -19.679 -1.682 1.00 44.24 C ATOM 482 CG PHE A 31 -11.756 -20.059 -0.624 1.00 20.30 C ATOM 483 CD1 PHE A 31 -12.798 -20.925 -0.913 1.00 71.25 C ATOM 484 CD2 PHE A 31 -11.650 -19.551 0.660 1.00 2.55 C ATOM 485 CE1 PHE A 31 -13.716 -21.278 0.058 1.00 3.33 C ATOM 486 CE2 PHE A 31 -12.564 -19.900 1.636 1.00 10.34 C ATOM 487 CZ PHE A 31 -13.599 -20.763 1.335 1.00 61.33 C ATOM 0 H PHE A 31 -9.846 -19.641 -4.039 1.00 34.45 H new ATOM 0 HA PHE A 31 -12.440 -19.040 -2.860 1.00 41.35 H new ATOM 0 HB2 PHE A 31 -10.316 -20.585 -2.093 1.00 44.24 H new ATOM 0 HB3 PHE A 31 -9.955 -19.108 -1.223 1.00 44.24 H new ATOM 0 HD1 PHE A 31 -12.894 -21.329 -1.910 1.00 71.25 H new ATOM 0 HD2 PHE A 31 -10.844 -18.874 0.901 1.00 2.55 H new ATOM 0 HE1 PHE A 31 -14.523 -21.955 -0.181 1.00 3.33 H new ATOM 0 HE2 PHE A 31 -12.469 -19.498 2.634 1.00 10.34 H new ATOM 0 HZ PHE A 31 -14.316 -21.035 2.096 1.00 61.33 H new ATOM 497 N ASP A 32 -11.704 -16.862 -1.489 1.00 75.44 N ATOM 498 CA ASP A 32 -11.559 -15.455 -1.137 1.00 54.43 C ATOM 499 C ASP A 32 -10.096 -15.105 -0.887 1.00 23.34 C ATOM 500 O ASP A 32 -9.285 -15.975 -0.570 1.00 73.14 O ATOM 501 CB ASP A 32 -12.394 -15.128 0.102 1.00 20.21 C ATOM 502 CG ASP A 32 -13.744 -14.533 -0.249 1.00 24.41 C ATOM 503 OD1 ASP A 32 -14.772 -15.175 0.054 1.00 42.34 O ATOM 504 OD2 ASP A 32 -13.772 -13.426 -0.825 1.00 64.24 O ATOM 0 H ASP A 32 -12.272 -17.403 -0.837 1.00 75.44 H new ATOM 0 HA ASP A 32 -11.918 -14.858 -1.975 1.00 54.43 H new ATOM 0 HB2 ASP A 32 -12.542 -16.036 0.687 1.00 20.21 H new ATOM 0 HB3 ASP A 32 -11.845 -14.428 0.732 1.00 20.21 H new ATOM 509 N ASN A 33 -9.765 -13.826 -1.031 1.00 63.24 N ATOM 510 CA ASN A 33 -8.398 -13.362 -0.822 1.00 51.03 C ATOM 511 C ASN A 33 -7.414 -14.171 -1.662 1.00 53.23 C ATOM 512 O ASN A 33 -6.228 -14.252 -1.343 1.00 40.21 O ATOM 513 CB ASN A 33 -8.024 -13.462 0.658 1.00 13.20 C ATOM 514 CG ASN A 33 -6.734 -12.733 0.979 1.00 41.31 C ATOM 515 OD1 ASN A 33 -6.125 -12.112 0.107 1.00 32.12 O ATOM 516 ND2 ASN A 33 -6.310 -12.805 2.235 1.00 34.15 N ATOM 0 H ASN A 33 -10.424 -13.093 -1.291 1.00 63.24 H new ATOM 0 HA ASN A 33 -8.343 -12.319 -1.134 1.00 51.03 H new ATOM 0 HB2 ASN A 33 -8.832 -13.049 1.263 1.00 13.20 H new ATOM 0 HB3 ASN A 33 -7.923 -14.512 0.934 1.00 13.20 H new ATOM 0 HD21 ASN A 33 -5.448 -12.334 2.510 1.00 34.15 H new ATOM 0 HD22 ASN A 33 -6.846 -13.331 2.925 1.00 34.15 H new ATOM 523 N LYS A 34 -7.915 -14.768 -2.739 1.00 11.24 N ATOM 524 CA LYS A 34 -7.082 -15.569 -3.627 1.00 62.11 C ATOM 525 C LYS A 34 -7.612 -15.525 -5.057 1.00 20.34 C ATOM 526 O LYS A 34 -7.512 -16.504 -5.797 1.00 53.22 O ATOM 527 CB LYS A 34 -7.024 -17.018 -3.137 1.00 55.23 C ATOM 528 CG LYS A 34 -5.928 -17.272 -2.117 1.00 14.00 C ATOM 529 CD LYS A 34 -6.476 -17.277 -0.700 1.00 32.53 C ATOM 530 CE LYS A 34 -7.395 -18.466 -0.462 1.00 11.01 C ATOM 531 NZ LYS A 34 -6.721 -19.541 0.318 1.00 12.20 N ATOM 0 H LYS A 34 -8.895 -14.712 -3.017 1.00 11.24 H new ATOM 0 HA LYS A 34 -6.076 -15.149 -3.618 1.00 62.11 H new ATOM 0 HB2 LYS A 34 -7.986 -17.283 -2.698 1.00 55.23 H new ATOM 0 HB3 LYS A 34 -6.872 -17.676 -3.992 1.00 55.23 H new ATOM 0 HG2 LYS A 34 -5.449 -18.229 -2.326 1.00 14.00 H new ATOM 0 HG3 LYS A 34 -5.160 -16.504 -2.208 1.00 14.00 H new ATOM 0 HD2 LYS A 34 -5.650 -17.306 0.011 1.00 32.53 H new ATOM 0 HD3 LYS A 34 -7.022 -16.351 -0.517 1.00 32.53 H new ATOM 0 HE2 LYS A 34 -8.286 -18.135 0.071 1.00 11.01 H new ATOM 0 HE3 LYS A 34 -7.727 -18.866 -1.420 1.00 11.01 H new ATOM 0 HZ1 LYS A 34 -7.380 -20.333 0.459 1.00 12.20 H new ATOM 0 HZ2 LYS A 34 -5.885 -19.875 -0.202 1.00 12.20 H new ATOM 0 HZ3 LYS A 34 -6.427 -19.167 1.243 1.00 12.20 H new ATOM 545 N LYS A 35 -8.175 -14.384 -5.439 1.00 64.14 N ATOM 546 CA LYS A 35 -8.718 -14.211 -6.781 1.00 52.22 C ATOM 547 C LYS A 35 -7.665 -13.640 -7.726 1.00 21.25 C ATOM 548 O LYS A 35 -6.702 -13.009 -7.289 1.00 63.11 O ATOM 549 CB LYS A 35 -9.939 -13.288 -6.744 1.00 63.21 C ATOM 550 CG LYS A 35 -9.589 -11.813 -6.844 1.00 35.40 C ATOM 551 CD LYS A 35 -8.764 -11.354 -5.654 1.00 12.13 C ATOM 552 CE LYS A 35 -8.931 -9.863 -5.402 1.00 33.22 C ATOM 553 NZ LYS A 35 -9.775 -9.594 -4.204 1.00 61.25 N ATOM 0 H LYS A 35 -8.267 -13.565 -4.838 1.00 64.14 H new ATOM 0 HA LYS A 35 -9.020 -15.190 -7.152 1.00 52.22 H new ATOM 0 HB2 LYS A 35 -10.608 -13.551 -7.564 1.00 63.21 H new ATOM 0 HB3 LYS A 35 -10.487 -13.461 -5.818 1.00 63.21 H new ATOM 0 HG2 LYS A 35 -9.034 -11.631 -7.764 1.00 35.40 H new ATOM 0 HG3 LYS A 35 -10.504 -11.224 -6.902 1.00 35.40 H new ATOM 0 HD2 LYS A 35 -9.064 -11.910 -4.766 1.00 12.13 H new ATOM 0 HD3 LYS A 35 -7.712 -11.579 -5.831 1.00 12.13 H new ATOM 0 HE2 LYS A 35 -7.951 -9.406 -5.266 1.00 33.22 H new ATOM 0 HE3 LYS A 35 -9.382 -9.395 -6.277 1.00 33.22 H new ATOM 0 HZ1 LYS A 35 -9.865 -8.567 -4.066 1.00 61.25 H new ATOM 0 HZ2 LYS A 35 -10.719 -10.008 -4.344 1.00 61.25 H new ATOM 0 HZ3 LYS A 35 -9.332 -10.018 -3.365 1.00 61.25 H new ATOM 567 N CYS A 36 -7.855 -13.865 -9.021 1.00 42.54 N ATOM 568 CA CYS A 36 -6.922 -13.372 -10.028 1.00 32.11 C ATOM 569 C CYS A 36 -7.634 -12.473 -11.035 1.00 63.43 C ATOM 570 O CYS A 36 -8.747 -12.769 -11.471 1.00 13.34 O ATOM 571 CB CYS A 36 -6.257 -14.543 -10.754 1.00 32.45 C ATOM 572 SG CYS A 36 -4.495 -14.280 -11.131 1.00 44.10 S ATOM 0 H CYS A 36 -8.647 -14.386 -9.399 1.00 42.54 H new ATOM 0 HA CYS A 36 -6.156 -12.785 -9.521 1.00 32.11 H new ATOM 0 HB2 CYS A 36 -6.357 -15.440 -10.142 1.00 32.45 H new ATOM 0 HB3 CYS A 36 -6.793 -14.731 -11.685 1.00 32.45 H new ATOM 577 N THR A 37 -6.983 -11.374 -11.403 1.00 5.04 N ATOM 578 CA THR A 37 -7.552 -10.431 -12.357 1.00 61.53 C ATOM 579 C THR A 37 -6.523 -10.020 -13.404 1.00 2.11 C ATOM 580 O THR A 37 -5.427 -10.578 -13.466 1.00 10.25 O ATOM 581 CB THR A 37 -8.083 -9.169 -11.652 1.00 71.30 C ATOM 582 OG1 THR A 37 -8.247 -9.422 -10.252 1.00 64.41 O ATOM 583 CG2 THR A 37 -9.411 -8.733 -12.252 1.00 50.50 C ATOM 0 H THR A 37 -6.060 -11.115 -11.054 1.00 5.04 H new ATOM 0 HA THR A 37 -8.382 -10.940 -12.847 1.00 61.53 H new ATOM 0 HB THR A 37 -7.357 -8.368 -11.793 1.00 71.30 H new ATOM 0 HG1 THR A 37 -8.583 -8.614 -9.811 1.00 64.41 H new ATOM 0 HG21 THR A 37 -9.767 -7.840 -11.738 1.00 50.50 H new ATOM 0 HG22 THR A 37 -9.277 -8.513 -13.311 1.00 50.50 H new ATOM 0 HG23 THR A 37 -10.142 -9.533 -12.137 1.00 50.50 H new ATOM 591 N LYS A 38 -6.881 -9.039 -14.226 1.00 34.42 N ATOM 592 CA LYS A 38 -5.989 -8.551 -15.270 1.00 4.52 C ATOM 593 C LYS A 38 -4.612 -8.225 -14.700 1.00 1.53 C ATOM 594 O LYS A 38 -4.487 -7.830 -13.540 1.00 74.20 O ATOM 595 CB LYS A 38 -6.583 -7.308 -15.937 1.00 71.44 C ATOM 596 CG LYS A 38 -6.687 -7.421 -17.449 1.00 4.34 C ATOM 597 CD LYS A 38 -8.122 -7.645 -17.894 1.00 41.10 C ATOM 598 CE LYS A 38 -8.906 -6.342 -17.923 1.00 74.13 C ATOM 599 NZ LYS A 38 -10.367 -6.570 -17.746 1.00 32.24 N ATOM 0 H LYS A 38 -7.784 -8.566 -14.189 1.00 34.42 H new ATOM 0 HA LYS A 38 -5.878 -9.338 -16.016 1.00 4.52 H new ATOM 0 HB2 LYS A 38 -7.575 -7.124 -15.525 1.00 71.44 H new ATOM 0 HB3 LYS A 38 -5.969 -6.443 -15.687 1.00 71.44 H new ATOM 0 HG2 LYS A 38 -6.300 -6.512 -17.910 1.00 4.34 H new ATOM 0 HG3 LYS A 38 -6.064 -8.245 -17.797 1.00 4.34 H new ATOM 0 HD2 LYS A 38 -8.130 -8.098 -18.885 1.00 41.10 H new ATOM 0 HD3 LYS A 38 -8.608 -8.348 -17.218 1.00 41.10 H new ATOM 0 HE2 LYS A 38 -8.543 -5.682 -17.135 1.00 74.13 H new ATOM 0 HE3 LYS A 38 -8.730 -5.833 -18.871 1.00 74.13 H new ATOM 0 HZ1 LYS A 38 -10.866 -5.658 -17.772 1.00 32.24 H new ATOM 0 HZ2 LYS A 38 -10.719 -7.179 -18.512 1.00 32.24 H new ATOM 0 HZ3 LYS A 38 -10.538 -7.033 -16.830 1.00 32.24 H new ATOM 613 N ASP A 39 -3.582 -8.390 -15.522 1.00 22.31 N ATOM 614 CA ASP A 39 -2.214 -8.111 -15.100 1.00 51.00 C ATOM 615 C ASP A 39 -2.098 -6.700 -14.532 1.00 31.14 C ATOM 616 O ASP A 39 -1.648 -6.510 -13.402 1.00 73.54 O ATOM 617 CB ASP A 39 -1.250 -8.281 -16.275 1.00 73.53 C ATOM 618 CG ASP A 39 -1.861 -7.845 -17.593 1.00 5.55 C ATOM 619 OD1 ASP A 39 -1.636 -6.683 -17.995 1.00 31.53 O ATOM 620 OD2 ASP A 39 -2.562 -8.664 -18.222 1.00 2.22 O ATOM 0 H ASP A 39 -3.668 -8.716 -16.485 1.00 22.31 H new ATOM 0 HA ASP A 39 -1.950 -8.822 -14.317 1.00 51.00 H new ATOM 0 HB2 ASP A 39 -0.347 -7.701 -16.087 1.00 73.53 H new ATOM 0 HB3 ASP A 39 -0.949 -9.326 -16.346 1.00 73.53 H new ATOM 625 N ASN A 40 -2.506 -5.713 -15.323 1.00 33.41 N ATOM 626 CA ASN A 40 -2.447 -4.319 -14.899 1.00 64.20 C ATOM 627 C ASN A 40 -3.666 -3.954 -14.058 1.00 4.34 C ATOM 628 O ASN A 40 -3.777 -2.834 -13.561 1.00 44.43 O ATOM 629 CB ASN A 40 -2.359 -3.397 -16.117 1.00 63.41 C ATOM 630 CG ASN A 40 -1.403 -3.922 -17.171 1.00 43.31 C ATOM 631 OD1 ASN A 40 -1.656 -3.802 -18.370 1.00 13.42 O ATOM 632 ND2 ASN A 40 -0.297 -4.508 -16.728 1.00 4.54 N ATOM 0 H ASN A 40 -2.881 -5.853 -16.261 1.00 33.41 H new ATOM 0 HA ASN A 40 -1.554 -4.189 -14.288 1.00 64.20 H new ATOM 0 HB2 ASN A 40 -3.351 -3.282 -16.555 1.00 63.41 H new ATOM 0 HB3 ASN A 40 -2.035 -2.407 -15.797 1.00 63.41 H new ATOM 0 HD21 ASN A 40 0.383 -4.880 -17.391 1.00 4.54 H new ATOM 0 HD22 ASN A 40 -0.128 -4.586 -15.725 1.00 4.54 H new ATOM 639 N ASN A 41 -4.578 -4.908 -13.902 1.00 4.15 N ATOM 640 CA ASN A 41 -5.789 -4.687 -13.120 1.00 50.21 C ATOM 641 C ASN A 41 -5.455 -4.090 -11.756 1.00 53.34 C ATOM 642 O ASN A 41 -5.489 -2.873 -11.574 1.00 14.43 O ATOM 643 CB ASN A 41 -6.552 -6.001 -12.941 1.00 53.41 C ATOM 644 CG ASN A 41 -7.847 -5.817 -12.174 1.00 33.04 C ATOM 645 OD1 ASN A 41 -8.826 -5.290 -12.702 1.00 41.45 O ATOM 646 ND2 ASN A 41 -7.858 -6.253 -10.919 1.00 52.41 N ATOM 0 H ASN A 41 -4.502 -5.841 -14.307 1.00 4.15 H new ATOM 0 HA ASN A 41 -6.417 -3.980 -13.662 1.00 50.21 H new ATOM 0 HB2 ASN A 41 -6.770 -6.428 -13.920 1.00 53.41 H new ATOM 0 HB3 ASN A 41 -5.920 -6.716 -12.415 1.00 53.41 H new ATOM 0 HD21 ASN A 41 -8.701 -6.157 -10.353 1.00 52.41 H new ATOM 0 HD22 ASN A 41 -7.023 -6.684 -10.521 1.00 52.41 H new ATOM 653 N LYS A 42 -5.132 -4.955 -10.801 1.00 41.31 N ATOM 654 CA LYS A 42 -4.790 -4.515 -9.454 1.00 4.23 C ATOM 655 C LYS A 42 -3.883 -5.529 -8.764 1.00 35.42 C ATOM 656 O LYS A 42 -3.991 -5.754 -7.558 1.00 1.02 O ATOM 657 CB LYS A 42 -6.059 -4.303 -8.626 1.00 74.41 C ATOM 658 CG LYS A 42 -6.780 -3.004 -8.939 1.00 54.25 C ATOM 659 CD LYS A 42 -7.706 -2.593 -7.807 1.00 54.30 C ATOM 660 CE LYS A 42 -8.982 -1.953 -8.334 1.00 43.01 C ATOM 661 NZ LYS A 42 -10.055 -2.960 -8.561 1.00 22.33 N ATOM 0 H LYS A 42 -5.100 -5.966 -10.935 1.00 41.31 H new ATOM 0 HA LYS A 42 -4.254 -3.569 -9.533 1.00 4.23 H new ATOM 0 HB2 LYS A 42 -6.739 -5.137 -8.799 1.00 74.41 H new ATOM 0 HB3 LYS A 42 -5.799 -4.318 -7.568 1.00 74.41 H new ATOM 0 HG2 LYS A 42 -6.049 -2.215 -9.117 1.00 54.25 H new ATOM 0 HG3 LYS A 42 -7.356 -3.119 -9.858 1.00 54.25 H new ATOM 0 HD2 LYS A 42 -7.958 -3.467 -7.206 1.00 54.30 H new ATOM 0 HD3 LYS A 42 -7.191 -1.892 -7.150 1.00 54.30 H new ATOM 0 HE2 LYS A 42 -9.332 -1.203 -7.624 1.00 43.01 H new ATOM 0 HE3 LYS A 42 -8.769 -1.433 -9.268 1.00 43.01 H new ATOM 0 HZ1 LYS A 42 -10.907 -2.484 -8.920 1.00 22.33 H new ATOM 0 HZ2 LYS A 42 -9.731 -3.661 -9.257 1.00 22.33 H new ATOM 0 HZ3 LYS A 42 -10.277 -3.439 -7.665 1.00 22.33 H new ATOM 675 N CYS A 43 -2.990 -6.139 -9.536 1.00 31.03 N ATOM 676 CA CYS A 43 -2.064 -7.129 -8.999 1.00 70.14 C ATOM 677 C CYS A 43 -0.904 -6.452 -8.274 1.00 73.43 C ATOM 678 O CYS A 43 -0.227 -5.588 -8.832 1.00 71.33 O ATOM 679 CB CYS A 43 -1.528 -8.018 -10.123 1.00 71.31 C ATOM 680 SG CYS A 43 -0.281 -9.231 -9.581 1.00 50.33 S ATOM 0 H CYS A 43 -2.888 -5.965 -10.536 1.00 31.03 H new ATOM 0 HA CYS A 43 -2.606 -7.747 -8.283 1.00 70.14 H new ATOM 0 HB2 CYS A 43 -2.362 -8.550 -10.580 1.00 71.31 H new ATOM 0 HB3 CYS A 43 -1.092 -7.385 -10.896 1.00 71.31 H new ATOM 685 N THR A 44 -0.680 -6.852 -7.026 1.00 53.40 N ATOM 686 CA THR A 44 0.396 -6.284 -6.224 1.00 20.33 C ATOM 687 C THR A 44 0.915 -7.295 -5.207 1.00 42.41 C ATOM 688 O THR A 44 0.250 -8.286 -4.907 1.00 64.43 O ATOM 689 CB THR A 44 -0.066 -5.016 -5.481 1.00 25.43 C ATOM 690 OG1 THR A 44 -1.460 -4.792 -5.714 1.00 74.20 O ATOM 691 CG2 THR A 44 0.731 -3.803 -5.935 1.00 3.31 C ATOM 0 H THR A 44 -1.229 -7.567 -6.549 1.00 53.40 H new ATOM 0 HA THR A 44 1.199 -6.020 -6.913 1.00 20.33 H new ATOM 0 HB THR A 44 0.104 -5.164 -4.415 1.00 25.43 H new ATOM 0 HG1 THR A 44 -1.746 -3.985 -5.237 1.00 74.20 H new ATOM 0 HG21 THR A 44 0.387 -2.920 -5.397 1.00 3.31 H new ATOM 0 HG22 THR A 44 1.789 -3.965 -5.729 1.00 3.31 H new ATOM 0 HG23 THR A 44 0.589 -3.654 -7.005 1.00 3.31 H new ATOM 699 N VAL A 45 2.107 -7.036 -4.679 1.00 23.33 N ATOM 700 CA VAL A 45 2.715 -7.923 -3.694 1.00 2.35 C ATOM 701 C VAL A 45 2.631 -7.327 -2.293 1.00 23.24 C ATOM 702 O VAL A 45 3.230 -6.289 -2.012 1.00 12.34 O ATOM 703 CB VAL A 45 4.191 -8.209 -4.031 1.00 13.55 C ATOM 704 CG1 VAL A 45 4.957 -6.908 -4.218 1.00 63.23 C ATOM 705 CG2 VAL A 45 4.829 -9.061 -2.945 1.00 22.43 C ATOM 0 H VAL A 45 2.671 -6.220 -4.917 1.00 23.33 H new ATOM 0 HA VAL A 45 2.156 -8.858 -3.722 1.00 2.35 H new ATOM 0 HB VAL A 45 4.231 -8.765 -4.968 1.00 13.55 H new ATOM 0 HG11 VAL A 45 5.998 -7.129 -4.455 1.00 63.23 H new ATOM 0 HG12 VAL A 45 4.512 -6.338 -5.034 1.00 63.23 H new ATOM 0 HG13 VAL A 45 4.911 -6.323 -3.299 1.00 63.23 H new ATOM 0 HG21 VAL A 45 5.871 -9.254 -3.199 1.00 22.43 H new ATOM 0 HG22 VAL A 45 4.779 -8.534 -1.992 1.00 22.43 H new ATOM 0 HG23 VAL A 45 4.294 -10.007 -2.864 1.00 22.43 H new ATOM 715 N ASP A 46 1.885 -7.992 -1.417 1.00 44.21 N ATOM 716 CA ASP A 46 1.724 -7.529 -0.044 1.00 20.45 C ATOM 717 C ASP A 46 1.741 -8.703 0.931 1.00 61.34 C ATOM 718 O ASP A 46 1.394 -9.829 0.570 1.00 0.35 O ATOM 719 CB ASP A 46 0.418 -6.747 0.104 1.00 71.42 C ATOM 720 CG ASP A 46 0.328 -5.583 -0.863 1.00 71.22 C ATOM 721 OD1 ASP A 46 0.132 -5.829 -2.072 1.00 61.30 O ATOM 722 OD2 ASP A 46 0.453 -4.426 -0.411 1.00 75.02 O ATOM 0 H ASP A 46 1.383 -8.853 -1.634 1.00 44.21 H new ATOM 0 HA ASP A 46 2.561 -6.871 0.192 1.00 20.45 H new ATOM 0 HB2 ASP A 46 -0.425 -7.418 -0.061 1.00 71.42 H new ATOM 0 HB3 ASP A 46 0.334 -6.375 1.125 1.00 71.42 H new ATOM 727 N THR A 47 2.148 -8.434 2.167 1.00 4.12 N ATOM 728 CA THR A 47 2.213 -9.467 3.193 1.00 63.43 C ATOM 729 C THR A 47 1.750 -8.932 4.543 1.00 73.23 C ATOM 730 O THR A 47 1.868 -9.610 5.564 1.00 45.31 O ATOM 731 CB THR A 47 3.641 -10.026 3.338 1.00 63.24 C ATOM 732 OG1 THR A 47 3.649 -11.116 4.267 1.00 41.22 O ATOM 733 CG2 THR A 47 4.601 -8.944 3.809 1.00 14.05 C ATOM 0 H THR A 47 2.438 -7.508 2.482 1.00 4.12 H new ATOM 0 HA THR A 47 1.547 -10.269 2.875 1.00 63.43 H new ATOM 0 HB THR A 47 3.969 -10.380 2.361 1.00 63.24 H new ATOM 0 HG1 THR A 47 2.974 -10.960 4.960 1.00 41.22 H new ATOM 0 HG21 THR A 47 5.603 -9.363 3.904 1.00 14.05 H new ATOM 0 HG22 THR A 47 4.615 -8.130 3.085 1.00 14.05 H new ATOM 0 HG23 THR A 47 4.274 -8.563 4.776 1.00 14.05 H new ATOM 741 N TYR A 48 1.221 -7.714 4.541 1.00 50.34 N ATOM 742 CA TYR A 48 0.741 -7.087 5.766 1.00 12.24 C ATOM 743 C TYR A 48 -0.632 -7.629 6.154 1.00 44.20 C ATOM 744 O TYR A 48 -0.890 -7.917 7.322 1.00 53.24 O ATOM 745 CB TYR A 48 0.672 -5.568 5.594 1.00 20.55 C ATOM 746 CG TYR A 48 1.888 -4.843 6.124 1.00 24.44 C ATOM 747 CD1 TYR A 48 2.156 -4.798 7.487 1.00 35.53 C ATOM 748 CD2 TYR A 48 2.770 -4.202 5.263 1.00 72.42 C ATOM 749 CE1 TYR A 48 3.265 -4.137 7.976 1.00 2.43 C ATOM 750 CE2 TYR A 48 3.883 -3.539 5.743 1.00 73.43 C ATOM 751 CZ TYR A 48 4.126 -3.509 7.100 1.00 30.10 C ATOM 752 OH TYR A 48 5.233 -2.849 7.582 1.00 13.41 O ATOM 0 H TYR A 48 1.114 -7.141 3.704 1.00 50.34 H new ATOM 0 HA TYR A 48 1.444 -7.324 6.564 1.00 12.24 H new ATOM 0 HB2 TYR A 48 0.553 -5.336 4.536 1.00 20.55 H new ATOM 0 HB3 TYR A 48 -0.215 -5.193 6.104 1.00 20.55 H new ATOM 0 HD1 TYR A 48 1.485 -5.289 8.176 1.00 35.53 H new ATOM 0 HD2 TYR A 48 2.582 -4.222 4.200 1.00 72.42 H new ATOM 0 HE1 TYR A 48 3.457 -4.112 9.038 1.00 2.43 H new ATOM 0 HE2 TYR A 48 4.559 -3.047 5.059 1.00 73.43 H new ATOM 0 HH TYR A 48 5.735 -2.463 6.834 1.00 13.41 H new ATOM 762 N ASN A 49 -1.508 -7.765 5.164 1.00 62.21 N ATOM 763 CA ASN A 49 -2.855 -8.273 5.400 1.00 44.43 C ATOM 764 C ASN A 49 -2.936 -9.764 5.091 1.00 63.44 C ATOM 765 O ASN A 49 -4.021 -10.343 5.056 1.00 63.23 O ATOM 766 CB ASN A 49 -3.867 -7.507 4.545 1.00 32.51 C ATOM 767 CG ASN A 49 -4.980 -6.897 5.375 1.00 31.31 C ATOM 768 OD1 ASN A 49 -5.264 -7.352 6.483 1.00 20.03 O ATOM 769 ND2 ASN A 49 -5.617 -5.862 4.841 1.00 42.44 N ATOM 0 H ASN A 49 -1.310 -7.531 4.191 1.00 62.21 H new ATOM 0 HA ASN A 49 -3.093 -8.126 6.453 1.00 44.43 H new ATOM 0 HB2 ASN A 49 -3.352 -6.718 3.997 1.00 32.51 H new ATOM 0 HB3 ASN A 49 -4.297 -8.181 3.805 1.00 32.51 H new ATOM 0 HD21 ASN A 49 -6.375 -5.411 5.352 1.00 42.44 H new ATOM 0 HD22 ASN A 49 -5.348 -5.518 3.919 1.00 42.44 H new ATOM 776 N ASN A 50 -1.779 -10.381 4.868 1.00 55.45 N ATOM 777 CA ASN A 50 -1.719 -11.805 4.561 1.00 32.34 C ATOM 778 C ASN A 50 -2.330 -12.094 3.193 1.00 4.02 C ATOM 779 O ASN A 50 -2.449 -13.249 2.787 1.00 72.41 O ATOM 780 CB ASN A 50 -2.449 -12.611 5.638 1.00 11.21 C ATOM 781 CG ASN A 50 -3.351 -13.678 5.049 1.00 34.25 C ATOM 782 OD1 ASN A 50 -2.962 -14.840 4.933 1.00 73.41 O ATOM 783 ND2 ASN A 50 -4.564 -13.287 4.675 1.00 61.10 N ATOM 0 H ASN A 50 -0.871 -9.917 4.894 1.00 55.45 H new ATOM 0 HA ASN A 50 -0.671 -12.103 4.541 1.00 32.34 H new ATOM 0 HB2 ASN A 50 -1.717 -13.080 6.296 1.00 11.21 H new ATOM 0 HB3 ASN A 50 -3.043 -11.936 6.253 1.00 11.21 H new ATOM 0 HD21 ASN A 50 -5.216 -13.961 4.273 1.00 61.10 H new ATOM 0 HD22 ASN A 50 -4.844 -12.313 4.790 1.00 61.10 H new ATOM 790 N ALA A 51 -2.713 -11.035 2.487 1.00 34.33 N ATOM 791 CA ALA A 51 -3.309 -11.174 1.164 1.00 23.51 C ATOM 792 C ALA A 51 -2.276 -11.640 0.144 1.00 44.14 C ATOM 793 O ALA A 51 -1.117 -11.225 0.184 1.00 32.03 O ATOM 794 CB ALA A 51 -3.932 -9.858 0.725 1.00 43.24 C ATOM 0 H ALA A 51 -2.621 -10.072 2.809 1.00 34.33 H new ATOM 0 HA ALA A 51 -4.091 -11.931 1.222 1.00 23.51 H new ATOM 0 HB1 ALA A 51 -4.373 -9.977 -0.265 1.00 43.24 H new ATOM 0 HB2 ALA A 51 -4.706 -9.567 1.435 1.00 43.24 H new ATOM 0 HB3 ALA A 51 -3.164 -9.086 0.689 1.00 43.24 H new ATOM 800 N VAL A 52 -2.702 -12.505 -0.771 1.00 52.23 N ATOM 801 CA VAL A 52 -1.814 -13.027 -1.803 1.00 41.51 C ATOM 802 C VAL A 52 -1.728 -12.072 -2.988 1.00 43.52 C ATOM 803 O VAL A 52 -2.624 -11.256 -3.208 1.00 65.21 O ATOM 804 CB VAL A 52 -2.283 -14.406 -2.302 1.00 40.05 C ATOM 805 CG1 VAL A 52 -1.188 -15.081 -3.115 1.00 11.42 C ATOM 806 CG2 VAL A 52 -2.705 -15.281 -1.132 1.00 13.43 C ATOM 0 H VAL A 52 -3.657 -12.859 -0.819 1.00 52.23 H new ATOM 0 HA VAL A 52 -0.828 -13.129 -1.350 1.00 41.51 H new ATOM 0 HB VAL A 52 -3.148 -14.263 -2.950 1.00 40.05 H new ATOM 0 HG11 VAL A 52 -1.538 -16.054 -3.459 1.00 11.42 H new ATOM 0 HG12 VAL A 52 -0.938 -14.460 -3.975 1.00 11.42 H new ATOM 0 HG13 VAL A 52 -0.302 -15.213 -2.494 1.00 11.42 H new ATOM 0 HG21 VAL A 52 -3.033 -16.252 -1.503 1.00 13.43 H new ATOM 0 HG22 VAL A 52 -1.860 -15.418 -0.457 1.00 13.43 H new ATOM 0 HG23 VAL A 52 -3.524 -14.802 -0.596 1.00 13.43 H new ATOM 816 N ASP A 53 -0.644 -12.178 -3.749 1.00 71.53 N ATOM 817 CA ASP A 53 -0.441 -11.325 -4.914 1.00 62.23 C ATOM 818 C ASP A 53 -1.134 -11.907 -6.142 1.00 34.40 C ATOM 819 O ASP A 53 -0.585 -12.770 -6.828 1.00 42.43 O ATOM 820 CB ASP A 53 1.053 -11.152 -5.192 1.00 3.24 C ATOM 821 CG ASP A 53 1.897 -11.324 -3.944 1.00 64.31 C ATOM 822 OD1 ASP A 53 2.969 -11.960 -4.035 1.00 73.15 O ATOM 823 OD2 ASP A 53 1.487 -10.823 -2.877 1.00 3.22 O ATOM 0 H ASP A 53 0.108 -12.846 -3.580 1.00 71.53 H new ATOM 0 HA ASP A 53 -0.879 -10.350 -4.699 1.00 62.23 H new ATOM 0 HB2 ASP A 53 1.367 -11.878 -5.942 1.00 3.24 H new ATOM 0 HB3 ASP A 53 1.229 -10.162 -5.613 1.00 3.24 H new ATOM 828 N CYS A 54 -2.345 -11.432 -6.413 1.00 12.45 N ATOM 829 CA CYS A 54 -3.116 -11.905 -7.556 1.00 64.10 C ATOM 830 C CYS A 54 -4.215 -10.911 -7.920 1.00 61.43 C ATOM 831 O CYS A 54 -5.050 -10.561 -7.087 1.00 13.23 O ATOM 832 CB CYS A 54 -3.730 -13.273 -7.253 1.00 24.24 C ATOM 833 SG CYS A 54 -2.677 -14.682 -7.726 1.00 64.32 S ATOM 0 H CYS A 54 -2.814 -10.718 -5.855 1.00 12.45 H new ATOM 0 HA CYS A 54 -2.439 -11.998 -8.405 1.00 64.10 H new ATOM 0 HB2 CYS A 54 -3.944 -13.335 -6.186 1.00 24.24 H new ATOM 0 HB3 CYS A 54 -4.684 -13.355 -7.774 1.00 24.24 H new ATOM 838 N ASP A 55 -4.208 -10.462 -9.170 1.00 62.14 N ATOM 839 CA ASP A 55 -5.205 -9.510 -9.646 1.00 44.04 C ATOM 840 C ASP A 55 -4.901 -9.075 -11.077 1.00 32.13 C ATOM 841 O ASP A 55 -3.957 -9.565 -11.698 1.00 5.54 O ATOM 842 CB ASP A 55 -5.253 -8.288 -8.728 1.00 11.10 C ATOM 843 CG ASP A 55 -6.544 -8.209 -7.937 1.00 20.11 C ATOM 844 OD1 ASP A 55 -7.184 -9.263 -7.739 1.00 75.03 O ATOM 845 OD2 ASP A 55 -6.913 -7.094 -7.515 1.00 13.44 O ATOM 0 H ASP A 55 -3.523 -10.742 -9.872 1.00 62.14 H new ATOM 0 HA ASP A 55 -6.177 -10.003 -9.634 1.00 44.04 H new ATOM 0 HB2 ASP A 55 -4.409 -8.322 -8.039 1.00 11.10 H new ATOM 0 HB3 ASP A 55 -5.140 -7.383 -9.326 1.00 11.10 H new TER 850 ASP A 55