USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 413 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 18 ASN : amide:sc= -1.1 K(o=-1.5,f=1.1) USER MOD Set 1.2: A 24 THR OG1 : rot -150:sc= -0.426 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00167 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -4.69 X(o=-4.7,f=-4.4!) USER MOD Single : A 15 LYS NZ :NH3+ -124:sc= -1.12 (180deg=-4.61!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0569) USER MOD Single : A 33 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.019) 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= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.53) USER MOD Single : A 41 ASN : amide:sc= 0.461 K(o=0.46,f=-0.57) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 71:sc= -0.667 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.02 K(o=-1,f=-0.35) USER MOD Single : A 50 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 4.564 -0.464 -2.309 1.00 4.24 N ATOM 12 CA LYS A 2 5.991 -0.431 -2.009 1.00 11.41 C ATOM 13 C LYS A 2 6.236 -0.581 -0.511 1.00 32.41 C ATOM 14 O LYS A 2 5.523 0.002 0.306 1.00 4.42 O ATOM 15 CB LYS A 2 6.608 0.878 -2.508 1.00 54.00 C ATOM 16 CG LYS A 2 7.825 0.678 -3.395 1.00 35.35 C ATOM 17 CD LYS A 2 9.001 1.517 -2.925 1.00 12.11 C ATOM 18 CE LYS A 2 8.745 3.002 -3.135 1.00 21.34 C ATOM 19 NZ LYS A 2 9.057 3.427 -4.527 1.00 43.11 N ATOM 0 HA LYS A 2 6.464 -1.268 -2.523 1.00 11.41 H new ATOM 0 HB2 LYS A 2 5.854 1.438 -3.061 1.00 54.00 H new ATOM 0 HB3 LYS A 2 6.891 1.487 -1.649 1.00 54.00 H new ATOM 0 HG2 LYS A 2 8.106 -0.375 -3.397 1.00 35.35 H new ATOM 0 HG3 LYS A 2 7.575 0.943 -4.422 1.00 35.35 H new ATOM 0 HD2 LYS A 2 9.187 1.325 -1.868 1.00 12.11 H new ATOM 0 HD3 LYS A 2 9.900 1.221 -3.466 1.00 12.11 H new ATOM 0 HE2 LYS A 2 7.702 3.226 -2.912 1.00 21.34 H new ATOM 0 HE3 LYS A 2 9.351 3.578 -2.435 1.00 21.34 H new ATOM 0 HZ1 LYS A 2 8.870 4.445 -4.629 1.00 43.11 H new ATOM 0 HZ2 LYS A 2 10.059 3.237 -4.732 1.00 43.11 H new ATOM 0 HZ3 LYS A 2 8.461 2.896 -5.194 1.00 43.11 H new ATOM 33 N TYR A 3 7.247 -1.366 -0.158 1.00 25.33 N ATOM 34 CA TYR A 3 7.585 -1.594 1.242 1.00 25.23 C ATOM 35 C TYR A 3 8.929 -0.959 1.589 1.00 72.33 C ATOM 36 O TYR A 3 9.799 -0.810 0.730 1.00 11.51 O ATOM 37 CB TYR A 3 7.625 -3.094 1.542 1.00 41.34 C ATOM 38 CG TYR A 3 6.291 -3.782 1.365 1.00 55.15 C ATOM 39 CD1 TYR A 3 5.312 -3.706 2.348 1.00 54.42 C ATOM 40 CD2 TYR A 3 6.009 -4.509 0.215 1.00 74.22 C ATOM 41 CE1 TYR A 3 4.091 -4.333 2.191 1.00 60.42 C ATOM 42 CE2 TYR A 3 4.790 -5.139 0.049 1.00 44.14 C ATOM 43 CZ TYR A 3 3.835 -5.048 1.039 1.00 20.34 C ATOM 44 OH TYR A 3 2.621 -5.675 0.878 1.00 32.33 O ATOM 0 H TYR A 3 7.847 -1.855 -0.822 1.00 25.33 H new ATOM 0 HA TYR A 3 6.814 -1.128 1.855 1.00 25.23 H new ATOM 0 HB2 TYR A 3 8.358 -3.567 0.889 1.00 41.34 H new ATOM 0 HB3 TYR A 3 7.968 -3.242 2.566 1.00 41.34 H new ATOM 0 HD1 TYR A 3 5.509 -3.147 3.251 1.00 54.42 H new ATOM 0 HD2 TYR A 3 6.755 -4.583 -0.562 1.00 74.22 H new ATOM 0 HE1 TYR A 3 3.341 -4.264 2.965 1.00 60.42 H new ATOM 0 HE2 TYR A 3 4.587 -5.700 -0.851 1.00 44.14 H new ATOM 0 HH TYR A 3 2.602 -6.134 0.012 1.00 32.33 H new ATOM 54 N THR A 4 9.091 -0.588 2.855 1.00 44.32 N ATOM 55 CA THR A 4 10.327 0.031 3.317 1.00 42.41 C ATOM 56 C THR A 4 11.018 -0.835 4.363 1.00 25.23 C ATOM 57 O THR A 4 10.378 -1.351 5.278 1.00 74.32 O ATOM 58 CB THR A 4 10.067 1.428 3.914 1.00 62.55 C ATOM 59 OG1 THR A 4 9.339 2.232 2.979 1.00 65.02 O ATOM 60 CG2 THR A 4 11.376 2.115 4.271 1.00 0.42 C ATOM 0 H THR A 4 8.382 -0.705 3.579 1.00 44.32 H new ATOM 0 HA THR A 4 10.975 0.131 2.446 1.00 42.41 H new ATOM 0 HB THR A 4 9.479 1.307 4.824 1.00 62.55 H new ATOM 0 HG1 THR A 4 9.176 3.117 3.366 1.00 65.02 H new ATOM 0 HG21 THR A 4 11.168 3.099 4.690 1.00 0.42 H new ATOM 0 HG22 THR A 4 11.914 1.514 5.004 1.00 0.42 H new ATOM 0 HG23 THR A 4 11.986 2.224 3.374 1.00 0.42 H new ATOM 68 N GLY A 5 12.332 -0.991 4.223 1.00 54.42 N ATOM 69 CA GLY A 5 13.088 -1.795 5.164 1.00 22.40 C ATOM 70 C GLY A 5 14.580 -1.544 5.074 1.00 42.32 C ATOM 71 O GLY A 5 15.014 -0.508 4.568 1.00 33.04 O ATOM 0 H GLY A 5 12.885 -0.574 3.474 1.00 54.42 H new ATOM 0 HA2 GLY A 5 12.747 -1.580 6.177 1.00 22.40 H new ATOM 0 HA3 GLY A 5 12.888 -2.850 4.978 1.00 22.40 H new ATOM 75 N LYS A 6 15.369 -2.492 5.567 1.00 65.25 N ATOM 76 CA LYS A 6 16.822 -2.370 5.540 1.00 2.43 C ATOM 77 C LYS A 6 17.472 -3.684 5.119 1.00 13.14 C ATOM 78 O LYS A 6 16.829 -4.734 5.121 1.00 71.33 O ATOM 79 CB LYS A 6 17.344 -1.948 6.916 1.00 71.21 C ATOM 80 CG LYS A 6 16.367 -1.090 7.700 1.00 14.23 C ATOM 81 CD LYS A 6 17.090 -0.100 8.599 1.00 71.45 C ATOM 82 CE LYS A 6 16.136 0.560 9.582 1.00 50.10 C ATOM 83 NZ LYS A 6 16.856 1.141 10.749 1.00 65.52 N ATOM 0 H LYS A 6 15.027 -3.354 5.991 1.00 65.25 H new ATOM 0 HA LYS A 6 17.084 -1.606 4.808 1.00 2.43 H new ATOM 0 HB2 LYS A 6 17.577 -2.841 7.496 1.00 71.21 H new ATOM 0 HB3 LYS A 6 18.276 -1.398 6.789 1.00 71.21 H new ATOM 0 HG2 LYS A 6 15.720 -0.550 7.009 1.00 14.23 H new ATOM 0 HG3 LYS A 6 15.724 -1.729 8.305 1.00 14.23 H new ATOM 0 HD2 LYS A 6 17.880 -0.614 9.146 1.00 71.45 H new ATOM 0 HD3 LYS A 6 17.571 0.664 7.988 1.00 71.45 H new ATOM 0 HE2 LYS A 6 15.576 1.345 9.073 1.00 50.10 H new ATOM 0 HE3 LYS A 6 15.410 -0.174 9.932 1.00 50.10 H new ATOM 0 HZ1 LYS A 6 16.171 1.581 11.396 1.00 65.52 H new ATOM 0 HZ2 LYS A 6 17.370 0.388 11.250 1.00 65.52 H new ATOM 0 HZ3 LYS A 6 17.531 1.860 10.418 1.00 65.52 H new ATOM 97 N CYS A 7 18.750 -3.619 4.761 1.00 55.02 N ATOM 98 CA CYS A 7 19.487 -4.804 4.338 1.00 11.45 C ATOM 99 C CYS A 7 20.745 -4.991 5.182 1.00 52.31 C ATOM 100 O CYS A 7 21.114 -4.119 5.969 1.00 10.34 O ATOM 101 CB CYS A 7 19.863 -4.696 2.859 1.00 12.44 C ATOM 102 SG CYS A 7 19.013 -3.351 1.972 1.00 13.44 S ATOM 0 H CYS A 7 19.297 -2.758 4.755 1.00 55.02 H new ATOM 0 HA CYS A 7 18.843 -5.672 4.479 1.00 11.45 H new ATOM 0 HB2 CYS A 7 20.940 -4.546 2.779 1.00 12.44 H new ATOM 0 HB3 CYS A 7 19.635 -5.642 2.367 1.00 12.44 H new ATOM 107 N THR A 8 21.400 -6.135 5.012 1.00 43.35 N ATOM 108 CA THR A 8 22.616 -6.438 5.757 1.00 53.44 C ATOM 109 C THR A 8 23.838 -6.421 4.845 1.00 34.14 C ATOM 110 O THR A 8 23.881 -7.123 3.835 1.00 24.40 O ATOM 111 CB THR A 8 22.523 -7.811 6.448 1.00 43.02 C ATOM 112 OG1 THR A 8 21.214 -8.363 6.268 1.00 3.23 O ATOM 113 CG2 THR A 8 22.829 -7.691 7.933 1.00 2.12 C ATOM 0 H THR A 8 21.109 -6.867 4.365 1.00 43.35 H new ATOM 0 HA THR A 8 22.723 -5.664 6.517 1.00 53.44 H new ATOM 0 HB THR A 8 23.261 -8.472 5.994 1.00 43.02 H new ATOM 0 HG1 THR A 8 21.164 -9.237 6.709 1.00 3.23 H new ATOM 0 HG21 THR A 8 22.757 -8.673 8.400 1.00 2.12 H new ATOM 0 HG22 THR A 8 23.837 -7.299 8.066 1.00 2.12 H new ATOM 0 HG23 THR A 8 22.112 -7.015 8.399 1.00 2.12 H new ATOM 121 N LYS A 9 24.830 -5.616 5.209 1.00 51.43 N ATOM 122 CA LYS A 9 26.055 -5.509 4.425 1.00 10.42 C ATOM 123 C LYS A 9 26.609 -6.890 4.091 1.00 43.34 C ATOM 124 O LYS A 9 27.316 -7.061 3.097 1.00 35.41 O ATOM 125 CB LYS A 9 27.104 -4.698 5.189 1.00 1.33 C ATOM 126 CG LYS A 9 27.679 -5.426 6.392 1.00 74.21 C ATOM 127 CD LYS A 9 29.043 -6.020 6.085 1.00 61.03 C ATOM 128 CE LYS A 9 29.871 -6.197 7.348 1.00 22.02 C ATOM 129 NZ LYS A 9 29.623 -7.516 7.994 1.00 51.21 N ATOM 0 H LYS A 9 24.810 -5.028 6.042 1.00 51.43 H new ATOM 0 HA LYS A 9 25.817 -4.997 3.493 1.00 10.42 H new ATOM 0 HB2 LYS A 9 27.916 -4.439 4.510 1.00 1.33 H new ATOM 0 HB3 LYS A 9 26.656 -3.762 5.522 1.00 1.33 H new ATOM 0 HG2 LYS A 9 27.763 -4.735 7.231 1.00 74.21 H new ATOM 0 HG3 LYS A 9 26.997 -6.219 6.699 1.00 74.21 H new ATOM 0 HD2 LYS A 9 28.918 -6.984 5.592 1.00 61.03 H new ATOM 0 HD3 LYS A 9 29.575 -5.372 5.388 1.00 61.03 H new ATOM 0 HE2 LYS A 9 30.929 -6.105 7.104 1.00 22.02 H new ATOM 0 HE3 LYS A 9 29.636 -5.398 8.051 1.00 22.02 H new ATOM 0 HZ1 LYS A 9 30.206 -7.598 8.851 1.00 51.21 H new ATOM 0 HZ2 LYS A 9 28.618 -7.594 8.250 1.00 51.21 H new ATOM 0 HZ3 LYS A 9 29.872 -8.279 7.332 1.00 51.21 H new ATOM 143 N SER A 10 26.283 -7.871 4.925 1.00 24.44 N ATOM 144 CA SER A 10 26.751 -9.237 4.719 1.00 71.11 C ATOM 145 C SER A 10 26.487 -9.691 3.286 1.00 5.32 C ATOM 146 O SER A 10 27.402 -9.757 2.465 1.00 44.21 O ATOM 147 CB SER A 10 26.064 -10.188 5.701 1.00 10.33 C ATOM 148 OG SER A 10 26.666 -10.119 6.982 1.00 34.15 O ATOM 0 H SER A 10 25.697 -7.746 5.750 1.00 24.44 H new ATOM 0 HA SER A 10 27.826 -9.257 4.897 1.00 71.11 H new ATOM 0 HB2 SER A 10 25.007 -9.935 5.778 1.00 10.33 H new ATOM 0 HB3 SER A 10 26.120 -11.209 5.323 1.00 10.33 H new ATOM 0 HG SER A 10 26.208 -10.734 7.592 1.00 34.15 H new ATOM 154 N LYS A 11 25.230 -10.003 2.993 1.00 53.40 N ATOM 155 CA LYS A 11 24.842 -10.449 1.660 1.00 24.21 C ATOM 156 C LYS A 11 23.831 -9.492 1.038 1.00 13.11 C ATOM 157 O LYS A 11 22.962 -9.905 0.271 1.00 11.23 O ATOM 158 CB LYS A 11 24.253 -11.860 1.724 1.00 62.14 C ATOM 159 CG LYS A 11 24.574 -12.709 0.505 1.00 14.52 C ATOM 160 CD LYS A 11 24.776 -14.167 0.879 1.00 21.32 C ATOM 161 CE LYS A 11 25.723 -14.864 -0.086 1.00 40.21 C ATOM 162 NZ LYS A 11 25.597 -16.346 -0.014 1.00 42.11 N ATOM 0 H LYS A 11 24.461 -9.955 3.661 1.00 53.40 H new ATOM 0 HA LYS A 11 25.735 -10.462 1.034 1.00 24.21 H new ATOM 0 HB2 LYS A 11 24.630 -12.362 2.615 1.00 62.14 H new ATOM 0 HB3 LYS A 11 23.171 -11.788 1.832 1.00 62.14 H new ATOM 0 HG2 LYS A 11 23.764 -12.627 -0.220 1.00 14.52 H new ATOM 0 HG3 LYS A 11 25.474 -12.328 0.022 1.00 14.52 H new ATOM 0 HD2 LYS A 11 25.174 -14.232 1.892 1.00 21.32 H new ATOM 0 HD3 LYS A 11 23.814 -14.680 0.881 1.00 21.32 H new ATOM 0 HE2 LYS A 11 25.515 -14.531 -1.103 1.00 40.21 H new ATOM 0 HE3 LYS A 11 26.749 -14.575 0.140 1.00 40.21 H new ATOM 0 HZ1 LYS A 11 26.259 -16.784 -0.686 1.00 42.11 H new ATOM 0 HZ2 LYS A 11 25.820 -16.667 0.950 1.00 42.11 H new ATOM 0 HZ3 LYS A 11 24.624 -16.624 -0.255 1.00 42.11 H new ATOM 176 N ASN A 12 23.951 -8.211 1.373 1.00 61.30 N ATOM 177 CA ASN A 12 23.047 -7.195 0.846 1.00 22.31 C ATOM 178 C ASN A 12 21.613 -7.715 0.798 1.00 4.35 C ATOM 179 O ASN A 12 20.877 -7.444 -0.149 1.00 73.52 O ATOM 180 CB ASN A 12 23.492 -6.763 -0.553 1.00 33.42 C ATOM 181 CG ASN A 12 23.402 -7.892 -1.562 1.00 4.21 C ATOM 182 OD1 ASN A 12 24.273 -8.761 -1.616 1.00 75.05 O ATOM 183 ND2 ASN A 12 22.347 -7.883 -2.367 1.00 53.34 N ATOM 0 H ASN A 12 24.665 -7.852 2.007 1.00 61.30 H new ATOM 0 HA ASN A 12 23.080 -6.333 1.513 1.00 22.31 H new ATOM 0 HB2 ASN A 12 22.873 -5.930 -0.887 1.00 33.42 H new ATOM 0 HB3 ASN A 12 24.519 -6.400 -0.509 1.00 33.42 H new ATOM 0 HD21 ASN A 12 22.233 -8.617 -3.067 1.00 53.34 H new ATOM 0 HD22 ASN A 12 21.650 -7.143 -2.286 1.00 53.34 H new ATOM 190 N GLU A 13 21.226 -8.461 1.828 1.00 14.00 N ATOM 191 CA GLU A 13 19.880 -9.018 1.903 1.00 61.12 C ATOM 192 C GLU A 13 18.911 -8.018 2.526 1.00 10.24 C ATOM 193 O GLU A 13 18.900 -7.822 3.742 1.00 12.10 O ATOM 194 CB GLU A 13 19.885 -10.314 2.716 1.00 63.43 C ATOM 195 CG GLU A 13 19.398 -11.524 1.936 1.00 53.22 C ATOM 196 CD GLU A 13 19.650 -12.829 2.666 1.00 55.14 C ATOM 197 OE1 GLU A 13 18.869 -13.782 2.461 1.00 30.33 O ATOM 198 OE2 GLU A 13 20.626 -12.897 3.441 1.00 61.14 O ATOM 0 H GLU A 13 21.824 -8.693 2.621 1.00 14.00 H new ATOM 0 HA GLU A 13 19.548 -9.235 0.888 1.00 61.12 H new ATOM 0 HB2 GLU A 13 20.897 -10.505 3.072 1.00 63.43 H new ATOM 0 HB3 GLU A 13 19.256 -10.183 3.597 1.00 63.43 H new ATOM 0 HG2 GLU A 13 18.330 -11.421 1.742 1.00 53.22 H new ATOM 0 HG3 GLU A 13 19.897 -11.552 0.967 1.00 53.22 H new ATOM 205 N CYS A 14 18.099 -7.387 1.685 1.00 12.31 N ATOM 206 CA CYS A 14 17.126 -6.406 2.151 1.00 3.32 C ATOM 207 C CYS A 14 15.830 -7.087 2.580 1.00 12.54 C ATOM 208 O CYS A 14 15.115 -7.661 1.759 1.00 64.32 O ATOM 209 CB CYS A 14 16.838 -5.381 1.052 1.00 15.04 C ATOM 210 SG CYS A 14 17.770 -3.825 1.223 1.00 63.54 S ATOM 0 H CYS A 14 18.095 -7.538 0.676 1.00 12.31 H new ATOM 0 HA CYS A 14 17.549 -5.893 3.015 1.00 3.32 H new ATOM 0 HB2 CYS A 14 17.070 -5.827 0.085 1.00 15.04 H new ATOM 0 HB3 CYS A 14 15.772 -5.155 1.051 1.00 15.04 H new ATOM 215 N LYS A 15 15.532 -7.017 3.873 1.00 31.45 N ATOM 216 CA LYS A 15 14.321 -7.625 4.414 1.00 44.23 C ATOM 217 C LYS A 15 13.151 -6.648 4.359 1.00 3.20 C ATOM 218 O LYS A 15 13.346 -5.433 4.308 1.00 23.13 O ATOM 219 CB LYS A 15 14.554 -8.078 5.857 1.00 60.22 C ATOM 220 CG LYS A 15 13.400 -8.878 6.437 1.00 41.25 C ATOM 221 CD LYS A 15 12.471 -8.001 7.259 1.00 4.52 C ATOM 222 CE LYS A 15 12.645 -8.249 8.750 1.00 72.24 C ATOM 223 NZ LYS A 15 11.433 -8.869 9.353 1.00 33.02 N ATOM 0 H LYS A 15 16.112 -6.545 4.566 1.00 31.45 H new ATOM 0 HA LYS A 15 14.076 -8.493 3.802 1.00 44.23 H new ATOM 0 HB2 LYS A 15 15.460 -8.682 5.898 1.00 60.22 H new ATOM 0 HB3 LYS A 15 14.727 -7.201 6.481 1.00 60.22 H new ATOM 0 HG2 LYS A 15 12.839 -9.347 5.629 1.00 41.25 H new ATOM 0 HG3 LYS A 15 13.791 -9.681 7.062 1.00 41.25 H new ATOM 0 HD2 LYS A 15 12.669 -6.952 7.038 1.00 4.52 H new ATOM 0 HD3 LYS A 15 11.437 -8.197 6.975 1.00 4.52 H new ATOM 0 HE2 LYS A 15 13.505 -8.899 8.912 1.00 72.24 H new ATOM 0 HE3 LYS A 15 12.859 -7.306 9.253 1.00 72.24 H new ATOM 0 HZ1 LYS A 15 11.097 -8.279 10.141 1.00 33.02 H new ATOM 0 HZ2 LYS A 15 10.686 -8.943 8.633 1.00 33.02 H new ATOM 0 HZ3 LYS A 15 11.668 -9.818 9.707 1.00 33.02 H new ATOM 237 N TYR A 16 11.937 -7.185 4.371 1.00 32.41 N ATOM 238 CA TYR A 16 10.735 -6.361 4.322 1.00 44.40 C ATOM 239 C TYR A 16 9.511 -7.155 4.766 1.00 53.12 C ATOM 240 O TYR A 16 9.628 -8.280 5.251 1.00 32.32 O ATOM 241 CB TYR A 16 10.521 -5.819 2.908 1.00 73.14 C ATOM 242 CG TYR A 16 10.016 -6.858 1.932 1.00 42.24 C ATOM 243 CD1 TYR A 16 10.863 -7.841 1.435 1.00 72.35 C ATOM 244 CD2 TYR A 16 8.694 -6.855 1.506 1.00 71.44 C ATOM 245 CE1 TYR A 16 10.407 -8.792 0.542 1.00 34.00 C ATOM 246 CE2 TYR A 16 8.229 -7.803 0.615 1.00 53.04 C ATOM 247 CZ TYR A 16 9.089 -8.769 0.136 1.00 72.05 C ATOM 248 OH TYR A 16 8.630 -9.714 -0.753 1.00 54.13 O ATOM 0 H TYR A 16 11.759 -8.188 4.414 1.00 32.41 H new ATOM 0 HA TYR A 16 10.870 -5.525 5.008 1.00 44.40 H new ATOM 0 HB2 TYR A 16 9.810 -4.994 2.948 1.00 73.14 H new ATOM 0 HB3 TYR A 16 11.462 -5.411 2.538 1.00 73.14 H new ATOM 0 HD1 TYR A 16 11.895 -7.862 1.752 1.00 72.35 H new ATOM 0 HD2 TYR A 16 8.018 -6.099 1.877 1.00 71.44 H new ATOM 0 HE1 TYR A 16 11.079 -9.549 0.164 1.00 34.00 H new ATOM 0 HE2 TYR A 16 7.198 -7.788 0.295 1.00 53.04 H new ATOM 0 HH TYR A 16 7.680 -9.558 -0.935 1.00 54.13 H new ATOM 258 N LYS A 17 8.335 -6.561 4.595 1.00 53.30 N ATOM 259 CA LYS A 17 7.086 -7.211 4.975 1.00 41.20 C ATOM 260 C LYS A 17 6.173 -7.385 3.765 1.00 1.45 C ATOM 261 O LYS A 17 6.021 -6.472 2.955 1.00 14.42 O ATOM 262 CB LYS A 17 6.371 -6.395 6.054 1.00 34.54 C ATOM 263 CG LYS A 17 6.222 -4.924 5.707 1.00 74.41 C ATOM 264 CD LYS A 17 7.154 -4.058 6.537 1.00 34.13 C ATOM 265 CE LYS A 17 6.693 -3.971 7.984 1.00 34.42 C ATOM 266 NZ LYS A 17 7.747 -4.430 8.931 1.00 73.43 N ATOM 0 H LYS A 17 8.220 -5.630 4.195 1.00 53.30 H new ATOM 0 HA LYS A 17 7.325 -8.198 5.372 1.00 41.20 H new ATOM 0 HB2 LYS A 17 5.382 -6.821 6.224 1.00 34.54 H new ATOM 0 HB3 LYS A 17 6.922 -6.485 6.990 1.00 34.54 H new ATOM 0 HG2 LYS A 17 6.433 -4.776 4.648 1.00 74.41 H new ATOM 0 HG3 LYS A 17 5.191 -4.613 5.873 1.00 74.41 H new ATOM 0 HD2 LYS A 17 8.163 -4.468 6.500 1.00 34.13 H new ATOM 0 HD3 LYS A 17 7.201 -3.057 6.108 1.00 34.13 H new ATOM 0 HE2 LYS A 17 6.419 -2.942 8.217 1.00 34.42 H new ATOM 0 HE3 LYS A 17 5.797 -4.577 8.117 1.00 34.42 H new ATOM 0 HZ1 LYS A 17 7.394 -4.355 9.906 1.00 73.43 H new ATOM 0 HZ2 LYS A 17 7.991 -5.420 8.726 1.00 73.43 H new ATOM 0 HZ3 LYS A 17 8.594 -3.836 8.823 1.00 73.43 H new ATOM 280 N ASN A 18 5.567 -8.562 3.651 1.00 22.04 N ATOM 281 CA ASN A 18 4.668 -8.855 2.541 1.00 42.51 C ATOM 282 C ASN A 18 3.415 -9.574 3.031 1.00 52.44 C ATOM 283 O ASN A 18 3.363 -10.051 4.164 1.00 4.33 O ATOM 284 CB ASN A 18 5.382 -9.708 1.491 1.00 60.12 C ATOM 285 CG ASN A 18 5.239 -11.194 1.759 1.00 52.12 C ATOM 286 OD1 ASN A 18 4.773 -11.948 0.905 1.00 53.04 O ATOM 287 ND2 ASN A 18 5.640 -11.621 2.950 1.00 21.43 N ATOM 0 H ASN A 18 5.682 -9.329 4.314 1.00 22.04 H new ATOM 0 HA ASN A 18 4.369 -7.909 2.089 1.00 42.51 H new ATOM 0 HB2 ASN A 18 4.978 -9.479 0.505 1.00 60.12 H new ATOM 0 HB3 ASN A 18 6.440 -9.445 1.471 1.00 60.12 H new ATOM 0 HD21 ASN A 18 5.568 -12.610 3.188 1.00 21.43 H new ATOM 0 HD22 ASN A 18 6.020 -10.960 3.627 1.00 21.43 H new ATOM 294 N ASP A 19 2.407 -9.648 2.168 1.00 1.32 N ATOM 295 CA ASP A 19 1.154 -10.310 2.512 1.00 40.04 C ATOM 296 C ASP A 19 0.374 -9.497 3.540 1.00 73.01 C ATOM 297 O ASP A 19 -0.648 -8.891 3.220 1.00 13.33 O ATOM 298 CB ASP A 19 1.426 -11.714 3.053 1.00 24.14 C ATOM 299 CG ASP A 19 0.803 -12.797 2.195 1.00 42.14 C ATOM 300 OD1 ASP A 19 1.063 -12.809 0.973 1.00 40.21 O ATOM 301 OD2 ASP A 19 0.056 -13.633 2.744 1.00 23.02 O ATOM 0 H ASP A 19 2.433 -9.258 1.226 1.00 1.32 H new ATOM 0 HA ASP A 19 0.553 -10.389 1.606 1.00 40.04 H new ATOM 0 HB2 ASP A 19 2.502 -11.875 3.111 1.00 24.14 H new ATOM 0 HB3 ASP A 19 1.037 -11.790 4.068 1.00 24.14 H new ATOM 306 N ALA A 20 0.862 -9.490 4.776 1.00 64.32 N ATOM 307 CA ALA A 20 0.212 -8.752 5.851 1.00 54.54 C ATOM 308 C ALA A 20 1.170 -8.515 7.013 1.00 70.30 C ATOM 309 O ALA A 20 0.746 -8.344 8.155 1.00 32.20 O ATOM 310 CB ALA A 20 -1.027 -9.496 6.328 1.00 42.41 C ATOM 0 H ALA A 20 1.706 -9.988 5.058 1.00 64.32 H new ATOM 0 HA ALA A 20 -0.089 -7.780 5.460 1.00 54.54 H new ATOM 0 HB1 ALA A 20 -1.503 -8.933 7.131 1.00 42.41 H new ATOM 0 HB2 ALA A 20 -1.726 -9.607 5.499 1.00 42.41 H new ATOM 0 HB3 ALA A 20 -0.741 -10.481 6.696 1.00 42.41 H new ATOM 316 N GLY A 21 2.466 -8.508 6.714 1.00 74.11 N ATOM 317 CA GLY A 21 3.464 -8.293 7.745 1.00 13.12 C ATOM 318 C GLY A 21 4.455 -9.436 7.840 1.00 10.21 C ATOM 319 O GLY A 21 5.280 -9.478 8.753 1.00 61.11 O ATOM 0 H GLY A 21 2.842 -8.647 5.776 1.00 74.11 H new ATOM 0 HA2 GLY A 21 4.001 -7.367 7.539 1.00 13.12 H new ATOM 0 HA3 GLY A 21 2.967 -8.166 8.707 1.00 13.12 H new ATOM 323 N LYS A 22 4.374 -10.367 6.896 1.00 41.12 N ATOM 324 CA LYS A 22 5.270 -11.517 6.876 1.00 43.13 C ATOM 325 C LYS A 22 6.693 -11.092 6.529 1.00 45.43 C ATOM 326 O LYS A 22 6.926 -10.443 5.509 1.00 42.34 O ATOM 327 CB LYS A 22 4.777 -12.556 5.867 1.00 70.43 C ATOM 328 CG LYS A 22 3.798 -13.558 6.455 1.00 64.22 C ATOM 329 CD LYS A 22 4.495 -14.846 6.861 1.00 62.14 C ATOM 330 CE LYS A 22 3.718 -15.584 7.939 1.00 32.44 C ATOM 331 NZ LYS A 22 3.514 -17.018 7.593 1.00 32.31 N ATOM 0 H LYS A 22 3.696 -10.348 6.134 1.00 41.12 H new ATOM 0 HA LYS A 22 5.274 -11.960 7.872 1.00 43.13 H new ATOM 0 HB2 LYS A 22 4.300 -12.042 5.032 1.00 70.43 H new ATOM 0 HB3 LYS A 22 5.635 -13.093 5.463 1.00 70.43 H new ATOM 0 HG2 LYS A 22 3.306 -13.120 7.323 1.00 64.22 H new ATOM 0 HG3 LYS A 22 3.020 -13.779 5.725 1.00 64.22 H new ATOM 0 HD2 LYS A 22 4.610 -15.489 5.989 1.00 62.14 H new ATOM 0 HD3 LYS A 22 5.498 -14.620 7.224 1.00 62.14 H new ATOM 0 HE2 LYS A 22 4.253 -15.512 8.886 1.00 32.44 H new ATOM 0 HE3 LYS A 22 2.750 -15.104 8.082 1.00 32.44 H new ATOM 0 HZ1 LYS A 22 2.980 -17.486 8.353 1.00 32.31 H new ATOM 0 HZ2 LYS A 22 2.982 -17.088 6.702 1.00 32.31 H new ATOM 0 HZ3 LYS A 22 4.438 -17.483 7.482 1.00 32.31 H new ATOM 345 N ASP A 23 7.641 -11.462 7.382 1.00 25.22 N ATOM 346 CA ASP A 23 9.042 -11.121 7.164 1.00 25.22 C ATOM 347 C ASP A 23 9.592 -11.840 5.936 1.00 21.53 C ATOM 348 O ASP A 23 9.643 -13.070 5.894 1.00 24.22 O ATOM 349 CB ASP A 23 9.875 -11.481 8.396 1.00 14.51 C ATOM 350 CG ASP A 23 9.263 -10.956 9.681 1.00 64.43 C ATOM 351 OD1 ASP A 23 9.339 -11.665 10.707 1.00 41.15 O ATOM 352 OD2 ASP A 23 8.710 -9.837 9.660 1.00 20.34 O ATOM 0 H ASP A 23 7.465 -11.998 8.232 1.00 25.22 H new ATOM 0 HA ASP A 23 9.106 -10.046 6.993 1.00 25.22 H new ATOM 0 HB2 ASP A 23 9.974 -12.565 8.460 1.00 14.51 H new ATOM 0 HB3 ASP A 23 10.880 -11.075 8.283 1.00 14.51 H new ATOM 357 N THR A 24 10.002 -11.066 4.937 1.00 52.44 N ATOM 358 CA THR A 24 10.545 -11.628 3.707 1.00 43.01 C ATOM 359 C THR A 24 11.874 -10.975 3.344 1.00 51.22 C ATOM 360 O THR A 24 12.009 -9.752 3.389 1.00 54.25 O ATOM 361 CB THR A 24 9.565 -11.460 2.531 1.00 40.52 C ATOM 362 OG1 THR A 24 8.336 -12.136 2.817 1.00 14.40 O ATOM 363 CG2 THR A 24 10.164 -12.008 1.244 1.00 33.14 C ATOM 0 H THR A 24 9.968 -10.047 4.956 1.00 52.44 H new ATOM 0 HA THR A 24 10.703 -12.691 3.889 1.00 43.01 H new ATOM 0 HB THR A 24 9.371 -10.396 2.398 1.00 40.52 H new ATOM 0 HG1 THR A 24 7.929 -12.443 1.980 1.00 14.40 H new ATOM 0 HG21 THR A 24 9.453 -11.878 0.428 1.00 33.14 H new ATOM 0 HG22 THR A 24 11.084 -11.471 1.013 1.00 33.14 H new ATOM 0 HG23 THR A 24 10.384 -13.068 1.368 1.00 33.14 H new ATOM 371 N PHE A 25 12.853 -11.797 2.983 1.00 24.44 N ATOM 372 CA PHE A 25 14.173 -11.299 2.612 1.00 13.04 C ATOM 373 C PHE A 25 14.379 -11.378 1.103 1.00 41.24 C ATOM 374 O PHE A 25 13.991 -12.356 0.463 1.00 52.32 O ATOM 375 CB PHE A 25 15.263 -12.097 3.330 1.00 61.21 C ATOM 376 CG PHE A 25 15.169 -12.029 4.827 1.00 11.14 C ATOM 377 CD1 PHE A 25 16.012 -11.201 5.551 1.00 51.01 C ATOM 378 CD2 PHE A 25 14.237 -12.793 5.512 1.00 64.34 C ATOM 379 CE1 PHE A 25 15.928 -11.135 6.929 1.00 74.50 C ATOM 380 CE2 PHE A 25 14.148 -12.732 6.889 1.00 2.44 C ATOM 381 CZ PHE A 25 14.995 -11.903 7.599 1.00 0.31 C ATOM 0 H PHE A 25 12.758 -12.812 2.939 1.00 24.44 H new ATOM 0 HA PHE A 25 14.238 -10.254 2.916 1.00 13.04 H new ATOM 0 HB2 PHE A 25 15.204 -13.140 3.017 1.00 61.21 H new ATOM 0 HB3 PHE A 25 16.239 -11.725 3.018 1.00 61.21 H new ATOM 0 HD1 PHE A 25 16.744 -10.600 5.032 1.00 51.01 H new ATOM 0 HD2 PHE A 25 13.573 -13.444 4.963 1.00 64.34 H new ATOM 0 HE1 PHE A 25 16.590 -10.484 7.481 1.00 74.50 H new ATOM 0 HE2 PHE A 25 13.417 -13.332 7.410 1.00 2.44 H new ATOM 0 HZ PHE A 25 14.928 -11.855 8.676 1.00 0.31 H new ATOM 391 N ILE A 26 14.992 -10.342 0.540 1.00 10.44 N ATOM 392 CA ILE A 26 15.250 -10.293 -0.893 1.00 64.43 C ATOM 393 C ILE A 26 16.546 -9.547 -1.194 1.00 14.44 C ATOM 394 O ILE A 26 16.757 -8.431 -0.718 1.00 53.31 O ATOM 395 CB ILE A 26 14.093 -9.617 -1.652 1.00 2.35 C ATOM 396 CG1 ILE A 26 14.359 -9.640 -3.158 1.00 71.41 C ATOM 397 CG2 ILE A 26 13.904 -8.188 -1.164 1.00 22.01 C ATOM 398 CD1 ILE A 26 14.519 -11.035 -3.722 1.00 22.04 C ATOM 0 H ILE A 26 15.319 -9.525 1.055 1.00 10.44 H new ATOM 0 HA ILE A 26 15.341 -11.325 -1.232 1.00 64.43 H new ATOM 0 HB ILE A 26 13.176 -10.172 -1.456 1.00 2.35 H new ATOM 0 HG12 ILE A 26 13.537 -9.141 -3.672 1.00 71.41 H new ATOM 0 HG13 ILE A 26 15.261 -9.066 -3.368 1.00 71.41 H new ATOM 0 HG21 ILE A 26 13.083 -7.723 -1.709 1.00 22.01 H new ATOM 0 HG22 ILE A 26 13.674 -8.195 -0.099 1.00 22.01 H new ATOM 0 HG23 ILE A 26 14.820 -7.621 -1.334 1.00 22.01 H new ATOM 0 HD11 ILE A 26 14.705 -10.975 -4.794 1.00 22.04 H new ATOM 0 HD12 ILE A 26 15.359 -11.530 -3.235 1.00 22.04 H new ATOM 0 HD13 ILE A 26 13.608 -11.606 -3.543 1.00 22.04 H new ATOM 410 N LYS A 27 17.410 -10.169 -1.988 1.00 4.15 N ATOM 411 CA LYS A 27 18.685 -9.563 -2.355 1.00 73.34 C ATOM 412 C LYS A 27 18.468 -8.259 -3.117 1.00 32.52 C ATOM 413 O LYS A 27 17.350 -7.748 -3.187 1.00 11.04 O ATOM 414 CB LYS A 27 19.507 -10.533 -3.207 1.00 73.14 C ATOM 415 CG LYS A 27 18.922 -10.775 -4.588 1.00 70.51 C ATOM 416 CD LYS A 27 19.645 -11.900 -5.310 1.00 71.22 C ATOM 417 CE LYS A 27 19.263 -13.260 -4.747 1.00 22.45 C ATOM 418 NZ LYS A 27 18.607 -14.121 -5.770 1.00 2.41 N ATOM 0 H LYS A 27 17.251 -11.093 -2.390 1.00 4.15 H new ATOM 0 HA LYS A 27 19.231 -9.341 -1.438 1.00 73.34 H new ATOM 0 HB2 LYS A 27 20.519 -10.142 -3.314 1.00 73.14 H new ATOM 0 HB3 LYS A 27 19.587 -11.486 -2.683 1.00 73.14 H new ATOM 0 HG2 LYS A 27 17.864 -11.020 -4.498 1.00 70.51 H new ATOM 0 HG3 LYS A 27 18.989 -9.861 -5.178 1.00 70.51 H new ATOM 0 HD2 LYS A 27 19.405 -11.865 -6.373 1.00 71.22 H new ATOM 0 HD3 LYS A 27 20.722 -11.758 -5.221 1.00 71.22 H new ATOM 0 HE2 LYS A 27 20.155 -13.760 -4.370 1.00 22.45 H new ATOM 0 HE3 LYS A 27 18.590 -13.126 -3.900 1.00 22.45 H new ATOM 0 HZ1 LYS A 27 18.362 -15.039 -5.346 1.00 2.41 H new ATOM 0 HZ2 LYS A 27 17.742 -13.656 -6.112 1.00 2.41 H new ATOM 0 HZ3 LYS A 27 19.258 -14.270 -6.567 1.00 2.41 H new ATOM 432 N CYS A 28 19.543 -7.727 -3.687 1.00 42.05 N ATOM 433 CA CYS A 28 19.471 -6.483 -4.445 1.00 30.40 C ATOM 434 C CYS A 28 19.733 -6.734 -5.927 1.00 55.44 C ATOM 435 O CYS A 28 20.815 -6.461 -6.447 1.00 71.21 O ATOM 436 CB CYS A 28 20.481 -5.471 -3.901 1.00 63.23 C ATOM 437 SG CYS A 28 19.970 -3.733 -4.094 1.00 72.50 S ATOM 0 H CYS A 28 20.475 -8.138 -3.639 1.00 42.05 H new ATOM 0 HA CYS A 28 18.465 -6.077 -4.335 1.00 30.40 H new ATOM 0 HB2 CYS A 28 20.649 -5.674 -2.843 1.00 63.23 H new ATOM 0 HB3 CYS A 28 21.435 -5.617 -4.409 1.00 63.23 H new ATOM 442 N PRO A 29 18.718 -7.265 -6.626 1.00 10.23 N ATOM 443 CA PRO A 29 18.813 -7.563 -8.058 1.00 2.31 C ATOM 444 C PRO A 29 18.868 -6.300 -8.910 1.00 53.44 C ATOM 445 O PRO A 29 19.263 -6.341 -10.076 1.00 4.14 O ATOM 446 CB PRO A 29 17.529 -8.346 -8.343 1.00 41.54 C ATOM 447 CG PRO A 29 16.571 -7.898 -7.294 1.00 23.13 C ATOM 448 CD PRO A 29 17.400 -7.615 -6.071 1.00 54.21 C ATOM 0 HA PRO A 29 19.724 -8.109 -8.302 1.00 2.31 H new ATOM 0 HB2 PRO A 29 17.149 -8.134 -9.342 1.00 41.54 H new ATOM 0 HB3 PRO A 29 17.701 -9.421 -8.289 1.00 41.54 H new ATOM 0 HG2 PRO A 29 16.030 -7.007 -7.614 1.00 23.13 H new ATOM 0 HG3 PRO A 29 15.826 -8.667 -7.091 1.00 23.13 H new ATOM 0 HD2 PRO A 29 16.982 -6.798 -5.482 1.00 54.21 H new ATOM 0 HD3 PRO A 29 17.458 -8.484 -5.415 1.00 54.21 H new ATOM 456 N LYS A 30 18.468 -5.177 -8.323 1.00 4.14 N ATOM 457 CA LYS A 30 18.473 -3.900 -9.027 1.00 22.30 C ATOM 458 C LYS A 30 19.888 -3.517 -9.450 1.00 31.44 C ATOM 459 O LYS A 30 20.197 -3.462 -10.640 1.00 23.00 O ATOM 460 CB LYS A 30 17.880 -2.803 -8.140 1.00 73.15 C ATOM 461 CG LYS A 30 16.693 -2.091 -8.766 1.00 72.22 C ATOM 462 CD LYS A 30 17.092 -1.347 -10.030 1.00 34.32 C ATOM 463 CE LYS A 30 15.947 -0.499 -10.562 1.00 73.20 C ATOM 464 NZ LYS A 30 15.709 0.705 -9.718 1.00 64.32 N ATOM 0 H LYS A 30 18.136 -5.125 -7.360 1.00 4.14 H new ATOM 0 HA LYS A 30 17.861 -4.005 -9.923 1.00 22.30 H new ATOM 0 HB2 LYS A 30 17.571 -3.242 -7.191 1.00 73.15 H new ATOM 0 HB3 LYS A 30 18.655 -2.071 -7.915 1.00 73.15 H new ATOM 0 HG2 LYS A 30 15.914 -2.817 -9.000 1.00 72.22 H new ATOM 0 HG3 LYS A 30 16.269 -1.389 -8.048 1.00 72.22 H new ATOM 0 HD2 LYS A 30 17.952 -0.710 -9.823 1.00 34.32 H new ATOM 0 HD3 LYS A 30 17.401 -2.062 -10.792 1.00 34.32 H new ATOM 0 HE2 LYS A 30 16.169 -0.189 -11.583 1.00 73.20 H new ATOM 0 HE3 LYS A 30 15.038 -1.100 -10.602 1.00 73.20 H new ATOM 0 HZ1 LYS A 30 15.016 1.325 -10.185 1.00 64.32 H new ATOM 0 HZ2 LYS A 30 15.342 0.412 -8.790 1.00 64.32 H new ATOM 0 HZ3 LYS A 30 16.603 1.221 -9.589 1.00 64.32 H new ATOM 478 N PHE A 31 20.744 -3.255 -8.467 1.00 75.21 N ATOM 479 CA PHE A 31 22.126 -2.878 -8.738 1.00 31.04 C ATOM 480 C PHE A 31 23.088 -3.965 -8.268 1.00 21.21 C ATOM 481 O PHE A 31 23.447 -4.026 -7.092 1.00 11.22 O ATOM 482 CB PHE A 31 22.460 -1.553 -8.048 1.00 74.34 C ATOM 483 CG PHE A 31 21.247 -0.755 -7.665 1.00 54.44 C ATOM 484 CD1 PHE A 31 20.767 0.243 -8.498 1.00 53.41 C ATOM 485 CD2 PHE A 31 20.587 -1.002 -6.472 1.00 53.53 C ATOM 486 CE1 PHE A 31 19.650 0.980 -8.149 1.00 5.01 C ATOM 487 CE2 PHE A 31 19.470 -0.268 -6.118 1.00 71.51 C ATOM 488 CZ PHE A 31 19.002 0.724 -6.957 1.00 11.33 C ATOM 0 H PHE A 31 20.505 -3.297 -7.476 1.00 75.21 H new ATOM 0 HA PHE A 31 22.239 -2.758 -9.815 1.00 31.04 H new ATOM 0 HB2 PHE A 31 23.049 -1.757 -7.153 1.00 74.34 H new ATOM 0 HB3 PHE A 31 23.085 -0.954 -8.711 1.00 74.34 H new ATOM 0 HD1 PHE A 31 21.271 0.448 -9.431 1.00 53.41 H new ATOM 0 HD2 PHE A 31 20.949 -1.776 -5.812 1.00 53.53 H new ATOM 0 HE1 PHE A 31 19.285 1.754 -8.808 1.00 5.01 H new ATOM 0 HE2 PHE A 31 18.964 -0.470 -5.186 1.00 71.51 H new ATOM 0 HZ PHE A 31 18.130 1.299 -6.681 1.00 11.33 H new ATOM 498 N ASP A 32 23.501 -4.822 -9.195 1.00 43.24 N ATOM 499 CA ASP A 32 24.422 -5.907 -8.878 1.00 23.12 C ATOM 500 C ASP A 32 25.797 -5.361 -8.505 1.00 63.52 C ATOM 501 O ASP A 32 26.638 -6.083 -7.971 1.00 63.34 O ATOM 502 CB ASP A 32 24.544 -6.865 -10.064 1.00 42.42 C ATOM 503 CG ASP A 32 24.629 -8.315 -9.631 1.00 73.12 C ATOM 504 OD1 ASP A 32 25.677 -8.948 -9.876 1.00 44.35 O ATOM 505 OD2 ASP A 32 23.647 -8.817 -9.046 1.00 74.33 O ATOM 0 H ASP A 32 23.212 -4.786 -10.173 1.00 43.24 H new ATOM 0 HA ASP A 32 24.022 -6.451 -8.022 1.00 23.12 H new ATOM 0 HB2 ASP A 32 23.685 -6.735 -10.722 1.00 42.42 H new ATOM 0 HB3 ASP A 32 25.431 -6.609 -10.644 1.00 42.42 H new ATOM 510 N ASN A 33 26.018 -4.083 -8.792 1.00 3.43 N ATOM 511 CA ASN A 33 27.292 -3.440 -8.488 1.00 61.41 C ATOM 512 C ASN A 33 27.129 -2.406 -7.378 1.00 61.15 C ATOM 513 O ASN A 33 28.101 -2.012 -6.734 1.00 22.12 O ATOM 514 CB ASN A 33 27.863 -2.774 -9.742 1.00 33.32 C ATOM 515 CG ASN A 33 29.270 -3.244 -10.057 1.00 11.05 C ATOM 516 OD1 ASN A 33 30.183 -2.435 -10.226 1.00 74.54 O ATOM 517 ND2 ASN A 33 29.451 -4.557 -10.136 1.00 22.11 N ATOM 0 H ASN A 33 25.332 -3.472 -9.235 1.00 3.43 H new ATOM 0 HA ASN A 33 27.985 -4.208 -8.145 1.00 61.41 H new ATOM 0 HB2 ASN A 33 27.213 -2.987 -10.591 1.00 33.32 H new ATOM 0 HB3 ASN A 33 27.866 -1.692 -9.606 1.00 33.32 H new ATOM 0 HD21 ASN A 33 30.376 -4.933 -10.344 1.00 22.11 H new ATOM 0 HD22 ASN A 33 28.665 -5.190 -9.988 1.00 22.11 H new ATOM 524 N LYS A 34 25.893 -1.970 -7.160 1.00 60.25 N ATOM 525 CA LYS A 34 25.600 -0.983 -6.128 1.00 22.30 C ATOM 526 C LYS A 34 24.527 -1.496 -5.173 1.00 72.54 C ATOM 527 O LYS A 34 23.621 -0.758 -4.786 1.00 4.24 O ATOM 528 CB LYS A 34 25.145 0.332 -6.765 1.00 32.31 C ATOM 529 CG LYS A 34 26.026 0.788 -7.915 1.00 20.41 C ATOM 530 CD LYS A 34 25.521 0.260 -9.247 1.00 61.04 C ATOM 531 CE LYS A 34 26.191 0.966 -10.416 1.00 53.14 C ATOM 532 NZ LYS A 34 25.746 0.415 -11.726 1.00 73.31 N ATOM 0 H LYS A 34 25.077 -2.285 -7.685 1.00 60.25 H new ATOM 0 HA LYS A 34 26.513 -0.807 -5.559 1.00 22.30 H new ATOM 0 HB2 LYS A 34 24.123 0.217 -7.125 1.00 32.31 H new ATOM 0 HB3 LYS A 34 25.128 1.109 -6.001 1.00 32.31 H new ATOM 0 HG2 LYS A 34 26.056 1.877 -7.942 1.00 20.41 H new ATOM 0 HG3 LYS A 34 27.047 0.445 -7.750 1.00 20.41 H new ATOM 0 HD2 LYS A 34 25.711 -0.811 -9.310 1.00 61.04 H new ATOM 0 HD3 LYS A 34 24.441 0.397 -9.308 1.00 61.04 H new ATOM 0 HE2 LYS A 34 25.965 2.031 -10.375 1.00 53.14 H new ATOM 0 HE3 LYS A 34 27.273 0.866 -10.329 1.00 53.14 H new ATOM 0 HZ1 LYS A 34 26.225 0.923 -12.497 1.00 73.31 H new ATOM 0 HZ2 LYS A 34 25.984 -0.596 -11.776 1.00 73.31 H new ATOM 0 HZ3 LYS A 34 24.717 0.533 -11.821 1.00 73.31 H new ATOM 546 N LYS A 35 24.635 -2.766 -4.797 1.00 34.12 N ATOM 547 CA LYS A 35 23.675 -3.378 -3.885 1.00 63.32 C ATOM 548 C LYS A 35 23.830 -2.817 -2.475 1.00 55.44 C ATOM 549 O LYS A 35 24.611 -1.893 -2.246 1.00 64.31 O ATOM 550 CB LYS A 35 23.859 -4.897 -3.863 1.00 62.42 C ATOM 551 CG LYS A 35 25.259 -5.335 -3.469 1.00 2.14 C ATOM 552 CD LYS A 35 26.016 -5.915 -4.651 1.00 63.04 C ATOM 553 CE LYS A 35 26.060 -7.434 -4.594 1.00 62.33 C ATOM 554 NZ LYS A 35 27.306 -7.929 -3.945 1.00 74.32 N ATOM 0 H LYS A 35 25.378 -3.392 -5.110 1.00 34.12 H new ATOM 0 HA LYS A 35 22.672 -3.144 -4.242 1.00 63.32 H new ATOM 0 HB2 LYS A 35 23.142 -5.331 -3.166 1.00 62.42 H new ATOM 0 HB3 LYS A 35 23.627 -5.297 -4.850 1.00 62.42 H new ATOM 0 HG2 LYS A 35 25.808 -4.483 -3.067 1.00 2.14 H new ATOM 0 HG3 LYS A 35 25.198 -6.079 -2.675 1.00 2.14 H new ATOM 0 HD2 LYS A 35 25.541 -5.598 -5.579 1.00 63.04 H new ATOM 0 HD3 LYS A 35 27.032 -5.521 -4.662 1.00 63.04 H new ATOM 0 HE2 LYS A 35 25.194 -7.802 -4.045 1.00 62.33 H new ATOM 0 HE3 LYS A 35 25.992 -7.837 -5.604 1.00 62.33 H new ATOM 0 HZ1 LYS A 35 27.298 -8.969 -3.926 1.00 74.32 H new ATOM 0 HZ2 LYS A 35 28.132 -7.599 -4.483 1.00 74.32 H new ATOM 0 HZ3 LYS A 35 27.359 -7.565 -2.972 1.00 74.32 H new ATOM 568 N CYS A 36 23.080 -3.380 -1.534 1.00 24.13 N ATOM 569 CA CYS A 36 23.134 -2.937 -0.146 1.00 2.31 C ATOM 570 C CYS A 36 24.472 -3.303 0.491 1.00 50.24 C ATOM 571 O CYS A 36 24.792 -4.480 0.657 1.00 63.32 O ATOM 572 CB CYS A 36 21.989 -3.559 0.655 1.00 53.10 C ATOM 573 SG CYS A 36 20.447 -2.589 0.624 1.00 71.04 S ATOM 0 H CYS A 36 22.427 -4.144 -1.707 1.00 24.13 H new ATOM 0 HA CYS A 36 23.030 -1.852 -0.133 1.00 2.31 H new ATOM 0 HB2 CYS A 36 21.786 -4.556 0.264 1.00 53.10 H new ATOM 0 HB3 CYS A 36 22.308 -3.681 1.690 1.00 53.10 H new ATOM 578 N THR A 37 25.250 -2.285 0.846 1.00 63.23 N ATOM 579 CA THR A 37 26.553 -2.499 1.463 1.00 42.41 C ATOM 580 C THR A 37 26.621 -1.851 2.841 1.00 23.23 C ATOM 581 O THR A 37 27.593 -1.171 3.172 1.00 12.11 O ATOM 582 CB THR A 37 27.689 -1.936 0.587 1.00 14.23 C ATOM 583 OG1 THR A 37 27.525 -0.523 0.422 1.00 5.32 O ATOM 584 CG2 THR A 37 27.707 -2.612 -0.775 1.00 40.13 C ATOM 0 H THR A 37 25.000 -1.305 0.717 1.00 63.23 H new ATOM 0 HA THR A 37 26.682 -3.577 1.564 1.00 42.41 H new ATOM 0 HB THR A 37 28.637 -2.136 1.086 1.00 14.23 H new ATOM 0 HG1 THR A 37 28.252 -0.172 -0.134 1.00 5.32 H new ATOM 0 HG21 THR A 37 28.517 -2.198 -1.376 1.00 40.13 H new ATOM 0 HG22 THR A 37 27.860 -3.684 -0.647 1.00 40.13 H new ATOM 0 HG23 THR A 37 26.756 -2.439 -1.280 1.00 40.13 H new ATOM 592 N LYS A 38 25.584 -2.067 3.643 1.00 21.22 N ATOM 593 CA LYS A 38 25.526 -1.507 4.988 1.00 42.41 C ATOM 594 C LYS A 38 24.495 -2.240 5.839 1.00 32.23 C ATOM 595 O LYS A 38 23.564 -2.852 5.314 1.00 4.30 O ATOM 596 CB LYS A 38 25.186 -0.016 4.927 1.00 55.10 C ATOM 597 CG LYS A 38 26.259 0.878 5.523 1.00 43.35 C ATOM 598 CD LYS A 38 26.295 0.774 7.038 1.00 72.50 C ATOM 599 CE LYS A 38 26.668 2.101 7.680 1.00 63.12 C ATOM 600 NZ LYS A 38 28.080 2.478 7.393 1.00 61.03 N ATOM 0 H LYS A 38 24.771 -2.627 3.384 1.00 21.22 H new ATOM 0 HA LYS A 38 26.506 -1.632 5.449 1.00 42.41 H new ATOM 0 HB2 LYS A 38 25.024 0.269 3.887 1.00 55.10 H new ATOM 0 HB3 LYS A 38 24.248 0.156 5.454 1.00 55.10 H new ATOM 0 HG2 LYS A 38 27.231 0.602 5.115 1.00 43.35 H new ATOM 0 HG3 LYS A 38 26.074 1.912 5.233 1.00 43.35 H new ATOM 0 HD2 LYS A 38 25.320 0.453 7.405 1.00 72.50 H new ATOM 0 HD3 LYS A 38 27.014 0.011 7.334 1.00 72.50 H new ATOM 0 HE2 LYS A 38 26.002 2.882 7.313 1.00 63.12 H new ATOM 0 HE3 LYS A 38 26.521 2.037 8.758 1.00 63.12 H new ATOM 0 HZ1 LYS A 38 28.296 3.388 7.848 1.00 61.03 H new ATOM 0 HZ2 LYS A 38 28.717 1.745 7.765 1.00 61.03 H new ATOM 0 HZ3 LYS A 38 28.214 2.564 6.365 1.00 61.03 H new ATOM 614 N ASP A 39 24.665 -2.174 7.155 1.00 45.40 N ATOM 615 CA ASP A 39 23.748 -2.829 8.079 1.00 33.52 C ATOM 616 C ASP A 39 22.644 -1.873 8.519 1.00 75.12 C ATOM 617 O ASP A 39 22.916 -0.787 9.028 1.00 42.23 O ATOM 618 CB ASP A 39 24.506 -3.349 9.302 1.00 71.34 C ATOM 619 CG ASP A 39 25.323 -4.588 8.992 1.00 33.54 C ATOM 620 OD1 ASP A 39 26.185 -4.953 9.819 1.00 1.33 O ATOM 621 OD2 ASP A 39 25.099 -5.195 7.924 1.00 40.41 O ATOM 0 H ASP A 39 25.431 -1.673 7.606 1.00 45.40 H new ATOM 0 HA ASP A 39 23.290 -3.671 7.560 1.00 33.52 H new ATOM 0 HB2 ASP A 39 25.166 -2.567 9.677 1.00 71.34 H new ATOM 0 HB3 ASP A 39 23.796 -3.575 10.097 1.00 71.34 H new ATOM 626 N ASN A 40 21.396 -2.285 8.317 1.00 10.04 N ATOM 627 CA ASN A 40 20.250 -1.464 8.692 1.00 42.14 C ATOM 628 C ASN A 40 20.193 -0.194 7.848 1.00 15.12 C ATOM 629 O ASN A 40 19.800 0.867 8.332 1.00 50.03 O ATOM 630 CB ASN A 40 20.320 -1.101 10.176 1.00 13.23 C ATOM 631 CG ASN A 40 20.884 -2.227 11.021 1.00 43.40 C ATOM 632 OD1 ASN A 40 20.422 -3.365 10.946 1.00 24.35 O ATOM 633 ND2 ASN A 40 21.889 -1.912 11.831 1.00 71.15 N ATOM 0 H ASN A 40 21.153 -3.182 7.896 1.00 10.04 H new ATOM 0 HA ASN A 40 19.344 -2.042 8.509 1.00 42.14 H new ATOM 0 HB2 ASN A 40 20.938 -0.212 10.301 1.00 13.23 H new ATOM 0 HB3 ASN A 40 19.322 -0.848 10.533 1.00 13.23 H new ATOM 0 HD21 ASN A 40 22.310 -2.628 12.424 1.00 71.15 H new ATOM 0 HD22 ASN A 40 22.240 -0.955 11.860 1.00 71.15 H new ATOM 640 N ASN A 41 20.586 -0.311 6.584 1.00 21.11 N ATOM 641 CA ASN A 41 20.579 0.827 5.673 1.00 42.43 C ATOM 642 C ASN A 41 19.156 1.175 5.247 1.00 70.43 C ATOM 643 O ASN A 41 18.186 0.651 5.795 1.00 23.53 O ATOM 644 CB ASN A 41 21.433 0.525 4.440 1.00 43.43 C ATOM 645 CG ASN A 41 20.910 -0.658 3.650 1.00 73.54 C ATOM 646 OD1 ASN A 41 19.887 -0.562 2.970 1.00 25.44 O ATOM 647 ND2 ASN A 41 21.610 -1.783 3.736 1.00 62.43 N ATOM 0 H ASN A 41 20.913 -1.183 6.167 1.00 21.11 H new ATOM 0 HA ASN A 41 21.001 1.683 6.199 1.00 42.43 H new ATOM 0 HB2 ASN A 41 21.461 1.404 3.796 1.00 43.43 H new ATOM 0 HB3 ASN A 41 22.458 0.326 4.752 1.00 43.43 H new ATOM 0 HD21 ASN A 41 21.306 -2.613 3.227 1.00 62.43 H new ATOM 0 HD22 ASN A 41 22.452 -1.817 4.311 1.00 62.43 H new ATOM 654 N LYS A 42 19.038 2.061 4.264 1.00 1.54 N ATOM 655 CA LYS A 42 17.734 2.479 3.762 1.00 64.51 C ATOM 656 C LYS A 42 17.448 1.848 2.403 1.00 41.23 C ATOM 657 O LYS A 42 18.093 2.177 1.406 1.00 20.54 O ATOM 658 CB LYS A 42 17.671 4.004 3.652 1.00 23.31 C ATOM 659 CG LYS A 42 16.256 4.556 3.658 1.00 24.10 C ATOM 660 CD LYS A 42 16.118 5.725 4.618 1.00 3.42 C ATOM 661 CE LYS A 42 15.006 6.670 4.190 1.00 75.21 C ATOM 662 NZ LYS A 42 15.414 8.097 4.306 1.00 50.10 N ATOM 0 H LYS A 42 19.830 2.504 3.799 1.00 1.54 H new ATOM 0 HA LYS A 42 16.975 2.141 4.468 1.00 64.51 H new ATOM 0 HB2 LYS A 42 18.227 4.443 4.481 1.00 23.31 H new ATOM 0 HB3 LYS A 42 18.169 4.315 2.734 1.00 23.31 H new ATOM 0 HG2 LYS A 42 15.985 4.876 2.652 1.00 24.10 H new ATOM 0 HG3 LYS A 42 15.558 3.768 3.940 1.00 24.10 H new ATOM 0 HD2 LYS A 42 15.913 5.351 5.621 1.00 3.42 H new ATOM 0 HD3 LYS A 42 17.061 6.270 4.667 1.00 3.42 H new ATOM 0 HE2 LYS A 42 14.724 6.456 3.159 1.00 75.21 H new ATOM 0 HE3 LYS A 42 14.123 6.494 4.805 1.00 75.21 H new ATOM 0 HZ1 LYS A 42 14.628 8.708 4.005 1.00 50.10 H new ATOM 0 HZ2 LYS A 42 15.658 8.309 5.294 1.00 50.10 H new ATOM 0 HZ3 LYS A 42 16.241 8.272 3.700 1.00 50.10 H new ATOM 676 N CYS A 43 16.476 0.943 2.369 1.00 63.55 N ATOM 677 CA CYS A 43 16.103 0.267 1.132 1.00 64.32 C ATOM 678 C CYS A 43 14.621 -0.096 1.136 1.00 61.02 C ATOM 679 O CYS A 43 14.071 -0.498 2.162 1.00 61.54 O ATOM 680 CB CYS A 43 16.948 -0.995 0.941 1.00 52.34 C ATOM 681 SG CYS A 43 16.501 -2.364 2.056 1.00 65.32 S ATOM 0 H CYS A 43 15.932 0.661 3.184 1.00 63.55 H new ATOM 0 HA CYS A 43 16.290 0.950 0.303 1.00 64.32 H new ATOM 0 HB2 CYS A 43 16.849 -1.333 -0.090 1.00 52.34 H new ATOM 0 HB3 CYS A 43 17.997 -0.743 1.094 1.00 52.34 H new ATOM 686 N THR A 44 13.979 0.049 -0.019 1.00 52.02 N ATOM 687 CA THR A 44 12.561 -0.262 -0.150 1.00 10.05 C ATOM 688 C THR A 44 12.339 -1.424 -1.111 1.00 0.11 C ATOM 689 O THR A 44 12.865 -1.431 -2.224 1.00 24.32 O ATOM 690 CB THR A 44 11.761 0.958 -0.644 1.00 3.33 C ATOM 691 OG1 THR A 44 12.382 1.511 -1.810 1.00 12.01 O ATOM 692 CG2 THR A 44 11.671 2.021 0.441 1.00 53.22 C ATOM 0 H THR A 44 14.419 0.380 -0.878 1.00 52.02 H new ATOM 0 HA THR A 44 12.207 -0.542 0.842 1.00 10.05 H new ATOM 0 HB THR A 44 10.752 0.628 -0.892 1.00 3.33 H new ATOM 0 HG1 THR A 44 12.255 0.903 -2.568 1.00 12.01 H new ATOM 0 HG21 THR A 44 11.102 2.873 0.069 1.00 53.22 H new ATOM 0 HG22 THR A 44 11.172 1.606 1.317 1.00 53.22 H new ATOM 0 HG23 THR A 44 12.674 2.347 0.715 1.00 53.22 H new ATOM 700 N VAL A 45 11.556 -2.405 -0.675 1.00 34.40 N ATOM 701 CA VAL A 45 11.262 -3.572 -1.498 1.00 64.42 C ATOM 702 C VAL A 45 9.939 -3.406 -2.236 1.00 35.02 C ATOM 703 O VAL A 45 8.991 -2.824 -1.708 1.00 10.30 O ATOM 704 CB VAL A 45 11.207 -4.858 -0.651 1.00 4.51 C ATOM 705 CG1 VAL A 45 10.857 -6.056 -1.520 1.00 11.30 C ATOM 706 CG2 VAL A 45 12.530 -5.078 0.068 1.00 72.33 C ATOM 0 H VAL A 45 11.114 -2.415 0.244 1.00 34.40 H new ATOM 0 HA VAL A 45 12.071 -3.658 -2.224 1.00 64.42 H new ATOM 0 HB VAL A 45 10.425 -4.745 0.100 1.00 4.51 H new ATOM 0 HG11 VAL A 45 10.823 -6.955 -0.904 1.00 11.30 H new ATOM 0 HG12 VAL A 45 9.884 -5.897 -1.984 1.00 11.30 H new ATOM 0 HG13 VAL A 45 11.613 -6.176 -2.296 1.00 11.30 H new ATOM 0 HG21 VAL A 45 12.474 -5.990 0.662 1.00 72.33 H new ATOM 0 HG22 VAL A 45 13.331 -5.171 -0.665 1.00 72.33 H new ATOM 0 HG23 VAL A 45 12.733 -4.231 0.723 1.00 72.33 H new ATOM 716 N ASP A 46 9.880 -3.922 -3.459 1.00 3.43 N ATOM 717 CA ASP A 46 8.671 -3.832 -4.269 1.00 44.15 C ATOM 718 C ASP A 46 8.185 -5.220 -4.675 1.00 14.34 C ATOM 719 O ASP A 46 8.879 -5.953 -5.379 1.00 45.45 O ATOM 720 CB ASP A 46 8.930 -2.984 -5.516 1.00 74.32 C ATOM 721 CG ASP A 46 8.162 -1.677 -5.497 1.00 34.40 C ATOM 722 OD1 ASP A 46 6.998 -1.679 -5.042 1.00 4.02 O ATOM 723 OD2 ASP A 46 8.724 -0.653 -5.936 1.00 51.23 O ATOM 0 H ASP A 46 10.655 -4.407 -3.911 1.00 3.43 H new ATOM 0 HA ASP A 46 7.895 -3.356 -3.669 1.00 44.15 H new ATOM 0 HB2 ASP A 46 9.997 -2.774 -5.594 1.00 74.32 H new ATOM 0 HB3 ASP A 46 8.651 -3.553 -6.403 1.00 74.32 H new ATOM 728 N THR A 47 6.986 -5.576 -4.224 1.00 32.05 N ATOM 729 CA THR A 47 6.407 -6.876 -4.537 1.00 32.23 C ATOM 730 C THR A 47 5.627 -6.830 -5.846 1.00 13.15 C ATOM 731 O THR A 47 5.458 -7.849 -6.515 1.00 72.22 O ATOM 732 CB THR A 47 5.472 -7.361 -3.412 1.00 42.41 C ATOM 733 OG1 THR A 47 5.071 -8.713 -3.657 1.00 73.02 O ATOM 734 CG2 THR A 47 4.242 -6.472 -3.310 1.00 50.54 C ATOM 0 H THR A 47 6.397 -4.982 -3.641 1.00 32.05 H new ATOM 0 HA THR A 47 7.237 -7.576 -4.636 1.00 32.23 H new ATOM 0 HB THR A 47 6.017 -7.310 -2.469 1.00 42.41 H new ATOM 0 HG1 THR A 47 4.478 -9.014 -2.937 1.00 73.02 H new ATOM 0 HG21 THR A 47 3.597 -6.834 -2.509 1.00 50.54 H new ATOM 0 HG22 THR A 47 4.549 -5.449 -3.094 1.00 50.54 H new ATOM 0 HG23 THR A 47 3.697 -6.495 -4.254 1.00 50.54 H new ATOM 742 N TYR A 48 5.154 -5.642 -6.205 1.00 52.20 N ATOM 743 CA TYR A 48 4.390 -5.463 -7.434 1.00 33.31 C ATOM 744 C TYR A 48 5.309 -5.462 -8.652 1.00 12.34 C ATOM 745 O TYR A 48 4.877 -5.742 -9.769 1.00 25.40 O ATOM 746 CB TYR A 48 3.594 -4.158 -7.380 1.00 3.14 C ATOM 747 CG TYR A 48 2.516 -4.062 -8.435 1.00 14.23 C ATOM 748 CD1 TYR A 48 2.818 -3.665 -9.731 1.00 44.44 C ATOM 749 CD2 TYR A 48 1.194 -4.367 -8.135 1.00 53.11 C ATOM 750 CE1 TYR A 48 1.836 -3.575 -10.699 1.00 1.43 C ATOM 751 CE2 TYR A 48 0.205 -4.281 -9.096 1.00 63.22 C ATOM 752 CZ TYR A 48 0.531 -3.884 -10.376 1.00 63.44 C ATOM 753 OH TYR A 48 -0.451 -3.796 -11.336 1.00 63.33 O ATOM 0 H TYR A 48 5.286 -4.788 -5.662 1.00 52.20 H new ATOM 0 HA TYR A 48 3.697 -6.299 -7.525 1.00 33.31 H new ATOM 0 HB2 TYR A 48 3.136 -4.062 -6.395 1.00 3.14 H new ATOM 0 HB3 TYR A 48 4.280 -3.319 -7.496 1.00 3.14 H new ATOM 0 HD1 TYR A 48 3.839 -3.422 -9.987 1.00 44.44 H new ATOM 0 HD2 TYR A 48 0.935 -4.677 -7.133 1.00 53.11 H new ATOM 0 HE1 TYR A 48 2.089 -3.265 -11.702 1.00 1.43 H new ATOM 0 HE2 TYR A 48 -0.817 -4.523 -8.846 1.00 63.22 H new ATOM 0 HH TYR A 48 -1.314 -4.049 -10.946 1.00 63.33 H new ATOM 763 N ASN A 49 6.579 -5.144 -8.425 1.00 43.53 N ATOM 764 CA ASN A 49 7.561 -5.105 -9.503 1.00 61.00 C ATOM 765 C ASN A 49 8.676 -6.118 -9.260 1.00 74.10 C ATOM 766 O ASN A 49 9.459 -6.422 -10.159 1.00 0.44 O ATOM 767 CB ASN A 49 8.153 -3.700 -9.632 1.00 10.02 C ATOM 768 CG ASN A 49 9.358 -3.662 -10.551 1.00 63.44 C ATOM 769 OD1 ASN A 49 9.230 -3.424 -11.752 1.00 75.23 O ATOM 770 ND2 ASN A 49 10.538 -3.898 -9.990 1.00 23.42 N ATOM 0 H ASN A 49 6.952 -4.910 -7.505 1.00 43.53 H new ATOM 0 HA ASN A 49 7.054 -5.365 -10.432 1.00 61.00 H new ATOM 0 HB2 ASN A 49 7.389 -3.020 -10.011 1.00 10.02 H new ATOM 0 HB3 ASN A 49 8.441 -3.338 -8.645 1.00 10.02 H new ATOM 0 HD21 ASN A 49 11.385 -3.886 -10.559 1.00 23.42 H new ATOM 0 HD22 ASN A 49 10.598 -4.091 -8.990 1.00 23.42 H new ATOM 777 N ASN A 50 8.739 -6.638 -8.038 1.00 62.15 N ATOM 778 CA ASN A 50 9.758 -7.617 -7.677 1.00 35.43 C ATOM 779 C ASN A 50 11.154 -7.010 -7.771 1.00 60.44 C ATOM 780 O ASN A 50 11.862 -7.208 -8.758 1.00 42.02 O ATOM 781 CB ASN A 50 9.660 -8.845 -8.585 1.00 41.32 C ATOM 782 CG ASN A 50 8.962 -10.010 -7.910 1.00 44.21 C ATOM 783 OD1 ASN A 50 9.190 -10.286 -6.732 1.00 62.13 O ATOM 784 ND2 ASN A 50 8.107 -10.700 -8.656 1.00 1.42 N ATOM 0 H ASN A 50 8.097 -6.398 -7.282 1.00 62.15 H new ATOM 0 HA ASN A 50 9.584 -7.922 -6.645 1.00 35.43 H new ATOM 0 HB2 ASN A 50 9.120 -8.579 -9.494 1.00 41.32 H new ATOM 0 HB3 ASN A 50 10.662 -9.151 -8.887 1.00 41.32 H new ATOM 0 HD21 ASN A 50 7.608 -11.495 -8.257 1.00 1.42 H new ATOM 0 HD22 ASN A 50 7.949 -10.435 -9.628 1.00 1.42 H new ATOM 791 N ALA A 51 11.543 -6.271 -6.738 1.00 23.22 N ATOM 792 CA ALA A 51 12.855 -5.638 -6.703 1.00 4.51 C ATOM 793 C ALA A 51 13.064 -4.878 -5.397 1.00 30.52 C ATOM 794 O ALA A 51 12.238 -4.950 -4.487 1.00 11.12 O ATOM 795 CB ALA A 51 13.022 -4.702 -7.891 1.00 73.35 C ATOM 0 H ALA A 51 10.968 -6.096 -5.914 1.00 23.22 H new ATOM 0 HA ALA A 51 13.610 -6.422 -6.762 1.00 4.51 H new ATOM 0 HB1 ALA A 51 14.007 -4.236 -7.852 1.00 73.35 H new ATOM 0 HB2 ALA A 51 12.925 -5.269 -8.817 1.00 73.35 H new ATOM 0 HB3 ALA A 51 12.254 -3.930 -7.856 1.00 73.35 H new ATOM 801 N VAL A 52 14.174 -4.152 -5.311 1.00 12.13 N ATOM 802 CA VAL A 52 14.491 -3.379 -4.116 1.00 33.04 C ATOM 803 C VAL A 52 15.319 -2.147 -4.462 1.00 25.13 C ATOM 804 O VAL A 52 16.058 -2.140 -5.446 1.00 43.15 O ATOM 805 CB VAL A 52 15.259 -4.228 -3.085 1.00 73.14 C ATOM 806 CG1 VAL A 52 16.715 -4.379 -3.497 1.00 62.11 C ATOM 807 CG2 VAL A 52 15.149 -3.611 -1.699 1.00 62.13 C ATOM 0 H VAL A 52 14.869 -4.083 -6.055 1.00 12.13 H new ATOM 0 HA VAL A 52 13.542 -3.065 -3.682 1.00 33.04 H new ATOM 0 HB VAL A 52 14.811 -5.221 -3.051 1.00 73.14 H new ATOM 0 HG11 VAL A 52 17.242 -4.982 -2.757 1.00 62.11 H new ATOM 0 HG12 VAL A 52 16.769 -4.869 -4.469 1.00 62.11 H new ATOM 0 HG13 VAL A 52 17.179 -3.395 -3.560 1.00 62.11 H new ATOM 0 HG21 VAL A 52 15.697 -4.224 -0.983 1.00 62.13 H new ATOM 0 HG22 VAL A 52 15.570 -2.606 -1.714 1.00 62.13 H new ATOM 0 HG23 VAL A 52 14.101 -3.561 -1.405 1.00 62.13 H new ATOM 817 N ASP A 53 15.192 -1.107 -3.645 1.00 41.13 N ATOM 818 CA ASP A 53 15.931 0.131 -3.864 1.00 13.44 C ATOM 819 C ASP A 53 16.985 0.333 -2.780 1.00 43.30 C ATOM 820 O ASP A 53 16.840 1.191 -1.909 1.00 15.31 O ATOM 821 CB ASP A 53 14.973 1.324 -3.889 1.00 61.32 C ATOM 822 CG ASP A 53 14.127 1.360 -5.147 1.00 31.34 C ATOM 823 OD1 ASP A 53 14.265 0.441 -5.982 1.00 33.05 O ATOM 824 OD2 ASP A 53 13.326 2.306 -5.295 1.00 41.03 O ATOM 0 H ASP A 53 14.585 -1.097 -2.826 1.00 41.13 H new ATOM 0 HA ASP A 53 16.435 0.059 -4.828 1.00 13.44 H new ATOM 0 HB2 ASP A 53 14.321 1.281 -3.017 1.00 61.32 H new ATOM 0 HB3 ASP A 53 15.546 2.248 -3.813 1.00 61.32 H new ATOM 829 N CYS A 54 18.047 -0.463 -2.839 1.00 62.43 N ATOM 830 CA CYS A 54 19.126 -0.374 -1.863 1.00 22.21 C ATOM 831 C CYS A 54 19.630 1.061 -1.739 1.00 23.21 C ATOM 832 O CYS A 54 19.418 1.883 -2.630 1.00 10.52 O ATOM 833 CB CYS A 54 20.279 -1.299 -2.260 1.00 12.24 C ATOM 834 SG CYS A 54 19.898 -3.073 -2.097 1.00 44.13 S ATOM 0 H CYS A 54 18.183 -1.178 -3.554 1.00 62.43 H new ATOM 0 HA CYS A 54 18.734 -0.688 -0.896 1.00 22.21 H new ATOM 0 HB2 CYS A 54 20.558 -1.092 -3.293 1.00 12.24 H new ATOM 0 HB3 CYS A 54 21.147 -1.066 -1.643 1.00 12.24 H new ATOM 839 N ASP A 55 20.299 1.353 -0.629 1.00 14.13 N ATOM 840 CA ASP A 55 20.834 2.688 -0.388 1.00 25.22 C ATOM 841 C ASP A 55 22.037 2.961 -1.286 1.00 73.13 C ATOM 842 O ASP A 55 22.427 2.115 -2.092 1.00 31.31 O ATOM 843 CB ASP A 55 21.234 2.843 1.080 1.00 34.05 C ATOM 844 CG ASP A 55 22.175 4.010 1.304 1.00 22.02 C ATOM 845 OD1 ASP A 55 23.405 3.793 1.285 1.00 61.32 O ATOM 846 OD2 ASP A 55 21.682 5.141 1.498 1.00 63.32 O ATOM 0 H ASP A 55 20.484 0.683 0.118 1.00 14.13 H new ATOM 0 HA ASP A 55 20.055 3.413 -0.623 1.00 25.22 H new ATOM 0 HB2 ASP A 55 20.338 2.981 1.685 1.00 34.05 H new ATOM 0 HB3 ASP A 55 21.711 1.925 1.422 1.00 34.05 H new