USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=19 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 7 CYS SG : rot -160:sc= 0.441 USER MOD Set 1.2: A 12 ASN : amide:sc= -0.482 X(o=1.1,f=1.4!) USER MOD Set 1.3: A 28 CYS SG : rot -153:sc= -0.0597 USER MOD Set 1.4: A 36 CYS SG : rot 101:sc= -0.128 USER MOD Set 1.5: A 41 ASN : amide:sc=-0.00676 K(o=1.1,f=-13!) USER MOD Set 1.6: A 43 CYS SG : rot 0:sc= 1.12 USER MOD Set 1.7: A 54 CYS SG : rot 48:sc= 0.201 USER MOD Set 2.1: A 18 ASN : amide:sc= -0.645 K(o=-1.1,f=2.1) USER MOD Set 2.2: A 24 THR OG1 : rot -150:sc= -0.437 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 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 55:sc= 1.15 USER MOD Single : A 9 LYS NZ :NH3+ -113:sc= 0.0233 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 9:sc= -1.13 USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= -0.173 (180deg=-0.515) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0999 K(o=-0.1,f=-1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0946) USER MOD Single : A 37 THR OG1 : rot 62:sc= 0.379 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.23 K(o=-2.2,f=-4.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.00655 X(o=0.0065,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 -12.835 0.225 -1.335 1.00 0.00 N ATOM 12 CA LYS A 2 -11.393 0.047 -1.212 1.00 0.00 C ATOM 13 C LYS A 2 -10.649 0.897 -2.238 1.00 0.00 C ATOM 14 O LYS A 2 -11.249 1.415 -3.181 1.00 0.00 O ATOM 15 CB LYS A 2 -11.024 -1.427 -1.394 1.00 0.00 C ATOM 16 CG LYS A 2 -11.908 -2.158 -2.388 1.00 0.00 C ATOM 17 CD LYS A 2 -11.111 -3.149 -3.221 1.00 0.00 C ATOM 18 CE LYS A 2 -11.956 -3.748 -4.334 1.00 0.00 C ATOM 19 NZ LYS A 2 -11.239 -4.839 -5.049 1.00 0.00 N ATOM 0 HA LYS A 2 -11.096 0.371 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.987 -1.495 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.085 -1.930 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.699 -2.684 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.392 -1.436 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.243 -2.649 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.735 -3.946 -2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.884 -4.137 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.229 -2.967 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.849 -5.221 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.366 -4.463 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.001 -5.597 -4.377 1.00 0.00 H new ATOM 33 N TYR A 3 -9.343 1.037 -2.047 1.00 0.00 N ATOM 34 CA TYR A 3 -8.518 1.826 -2.955 1.00 0.00 C ATOM 35 C TYR A 3 -7.426 0.967 -3.584 1.00 0.00 C ATOM 36 O TYR A 3 -6.898 0.050 -2.954 1.00 0.00 O ATOM 37 CB TYR A 3 -7.889 3.005 -2.211 1.00 0.00 C ATOM 38 CG TYR A 3 -8.897 4.022 -1.723 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.636 3.797 -0.569 1.00 0.00 C ATOM 40 CD2 TYR A 3 -9.109 5.206 -2.418 1.00 0.00 C ATOM 41 CE1 TYR A 3 -10.560 4.722 -0.121 1.00 0.00 C ATOM 42 CE2 TYR A 3 -10.029 6.138 -1.976 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.752 5.891 -0.827 1.00 0.00 C ATOM 44 OH TYR A 3 -11.669 6.816 -0.384 1.00 0.00 O ATOM 0 H TYR A 3 -8.832 0.615 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.159 2.206 -3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.326 2.626 -1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.176 3.500 -2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.486 2.884 -0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.546 5.401 -3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.129 4.530 0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.181 7.054 -2.527 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.681 7.583 -0.994 1.00 0.00 H new ATOM 54 N THR A 4 -7.092 1.270 -4.835 1.00 0.00 N ATOM 55 CA THR A 4 -6.063 0.527 -5.553 1.00 0.00 C ATOM 56 C THR A 4 -4.834 1.392 -5.805 1.00 0.00 C ATOM 57 O THR A 4 -4.930 2.469 -6.393 1.00 0.00 O ATOM 58 CB THR A 4 -6.589 -0.002 -6.900 1.00 0.00 C ATOM 59 OG1 THR A 4 -7.870 -0.617 -6.719 1.00 0.00 O ATOM 60 CG2 THR A 4 -5.620 -1.007 -7.503 1.00 0.00 C ATOM 0 H THR A 4 -7.519 2.025 -5.372 1.00 0.00 H new ATOM 0 HA THR A 4 -5.786 -0.318 -4.922 1.00 0.00 H new ATOM 0 HB THR A 4 -6.685 0.842 -7.583 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.198 -0.949 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.013 -1.366 -8.454 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.655 -0.528 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.496 -1.848 -6.821 1.00 0.00 H new ATOM 68 N GLY A 5 -3.677 0.915 -5.355 1.00 0.00 N ATOM 69 CA GLY A 5 -2.445 1.659 -5.543 1.00 0.00 C ATOM 70 C GLY A 5 -1.249 0.753 -5.762 1.00 0.00 C ATOM 71 O GLY A 5 -1.336 -0.239 -6.485 1.00 0.00 O ATOM 0 H GLY A 5 -3.571 0.027 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.554 2.326 -6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.266 2.287 -4.670 1.00 0.00 H new ATOM 75 N LYS A 6 -0.127 1.095 -5.137 1.00 0.00 N ATOM 76 CA LYS A 6 1.093 0.307 -5.267 1.00 0.00 C ATOM 77 C LYS A 6 2.077 0.640 -4.151 1.00 0.00 C ATOM 78 O LYS A 6 1.825 1.525 -3.332 1.00 0.00 O ATOM 79 CB LYS A 6 1.745 0.559 -6.629 1.00 0.00 C ATOM 80 CG LYS A 6 1.673 2.008 -7.079 1.00 0.00 C ATOM 81 CD LYS A 6 0.629 2.203 -8.166 1.00 0.00 C ATOM 82 CE LYS A 6 1.018 1.483 -9.448 1.00 0.00 C ATOM 83 NZ LYS A 6 -0.026 0.514 -9.881 1.00 0.00 N ATOM 0 H LYS A 6 -0.038 1.913 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 6 0.825 -0.747 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.790 0.253 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.260 -0.069 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.435 2.643 -6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.648 2.324 -7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.335 1.832 -7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.507 3.267 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.184 2.215 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.961 0.957 -9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.278 0.045 -10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.167 -0.200 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.919 1.019 -10.050 1.00 0.00 H new ATOM 97 N CYS A 7 3.198 -0.071 -4.125 1.00 0.00 N ATOM 98 CA CYS A 7 4.221 0.150 -3.109 1.00 0.00 C ATOM 99 C CYS A 7 5.534 0.596 -3.747 1.00 0.00 C ATOM 100 O CYS A 7 5.614 0.783 -4.961 1.00 0.00 O ATOM 101 CB CYS A 7 4.443 -1.124 -2.292 1.00 0.00 C ATOM 102 SG CYS A 7 3.809 -1.037 -0.602 1.00 0.00 S ATOM 0 H CYS A 7 3.422 -0.806 -4.796 1.00 0.00 H new ATOM 0 HA CYS A 7 3.873 0.942 -2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.966 -1.959 -2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.511 -1.339 -2.257 1.00 0.00 H new ATOM 0 HG CYS A 7 4.391 -1.943 0.127 1.00 0.00 H new ATOM 108 N THR A 8 6.560 0.765 -2.919 1.00 0.00 N ATOM 109 CA THR A 8 7.868 1.191 -3.401 1.00 0.00 C ATOM 110 C THR A 8 8.959 0.224 -2.957 1.00 0.00 C ATOM 111 O THR A 8 9.000 -0.194 -1.800 1.00 0.00 O ATOM 112 CB THR A 8 8.218 2.605 -2.899 1.00 0.00 C ATOM 113 OG1 THR A 8 7.231 3.051 -1.962 1.00 0.00 O ATOM 114 CG2 THR A 8 8.300 3.585 -4.061 1.00 0.00 C ATOM 0 H THR A 8 6.510 0.613 -1.912 1.00 0.00 H new ATOM 0 HA THR A 8 7.816 1.201 -4.490 1.00 0.00 H new ATOM 0 HB THR A 8 9.191 2.563 -2.409 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.145 2.394 -1.240 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.548 4.577 -3.684 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.071 3.259 -4.758 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.339 3.622 -4.574 1.00 0.00 H new ATOM 122 N LYS A 9 9.842 -0.130 -3.885 1.00 0.00 N ATOM 123 CA LYS A 9 10.936 -1.048 -3.591 1.00 0.00 C ATOM 124 C LYS A 9 11.747 -0.562 -2.395 1.00 0.00 C ATOM 125 O LYS A 9 12.209 -1.360 -1.579 1.00 0.00 O ATOM 126 CB LYS A 9 11.846 -1.197 -4.812 1.00 0.00 C ATOM 127 CG LYS A 9 12.191 0.123 -5.478 1.00 0.00 C ATOM 128 CD LYS A 9 13.332 -0.033 -6.469 1.00 0.00 C ATOM 129 CE LYS A 9 12.912 -0.856 -7.678 1.00 0.00 C ATOM 130 NZ LYS A 9 13.790 -0.602 -8.854 1.00 0.00 N ATOM 0 H LYS A 9 9.821 0.205 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 9 10.506 -2.019 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.768 -1.693 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.359 -1.846 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.312 0.513 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.466 0.854 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.668 0.951 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.179 -0.512 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.942 -1.916 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.880 -0.620 -7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.243 -0.125 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.587 0.002 -8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.154 -1.506 -9.217 1.00 0.00 H new ATOM 144 N SER A 10 11.916 0.754 -2.296 1.00 0.00 N ATOM 145 CA SER A 10 12.674 1.346 -1.200 1.00 0.00 C ATOM 146 C SER A 10 11.742 1.821 -0.089 1.00 0.00 C ATOM 147 O SER A 10 12.105 2.677 0.718 1.00 0.00 O ATOM 148 CB SER A 10 13.517 2.518 -1.710 1.00 0.00 C ATOM 149 OG SER A 10 12.811 3.270 -2.681 1.00 0.00 O ATOM 0 H SER A 10 11.538 1.429 -2.961 1.00 0.00 H new ATOM 0 HA SER A 10 13.335 0.581 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.791 3.163 -0.875 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.445 2.142 -2.141 1.00 0.00 H new ATOM 0 HG SER A 10 13.370 4.013 -2.989 1.00 0.00 H new ATOM 155 N LYS A 11 10.538 1.260 -0.055 1.00 0.00 N ATOM 156 CA LYS A 11 9.553 1.623 0.956 1.00 0.00 C ATOM 157 C LYS A 11 8.266 0.823 0.773 1.00 0.00 C ATOM 158 O LYS A 11 7.480 1.092 -0.133 1.00 0.00 O ATOM 159 CB LYS A 11 9.248 3.120 0.886 1.00 0.00 C ATOM 160 CG LYS A 11 9.125 3.780 2.249 1.00 0.00 C ATOM 161 CD LYS A 11 10.472 3.879 2.945 1.00 0.00 C ATOM 162 CE LYS A 11 11.263 5.085 2.460 1.00 0.00 C ATOM 163 NZ LYS A 11 11.975 5.764 3.577 1.00 0.00 N ATOM 0 H LYS A 11 10.221 0.552 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 11 9.971 1.389 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.037 3.617 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.319 3.268 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.700 4.777 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.435 3.209 2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.322 3.950 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.045 2.970 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.985 4.768 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.589 5.791 1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.502 6.580 3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.284 6.089 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.637 5.097 4.023 1.00 0.00 H new ATOM 177 N ASN A 12 8.059 -0.162 1.642 1.00 0.00 N ATOM 178 CA ASN A 12 6.868 -1.000 1.577 1.00 0.00 C ATOM 179 C ASN A 12 5.669 -0.293 2.203 1.00 0.00 C ATOM 180 O ASN A 12 5.113 -0.756 3.197 1.00 0.00 O ATOM 181 CB ASN A 12 7.116 -2.332 2.288 1.00 0.00 C ATOM 182 CG ASN A 12 5.915 -3.256 2.221 1.00 0.00 C ATOM 183 OD1 ASN A 12 5.241 -3.342 1.195 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.644 -3.953 3.318 1.00 0.00 N ATOM 0 H ASN A 12 8.701 -0.399 2.399 1.00 0.00 H new ATOM 0 HA ASN A 12 6.647 -1.191 0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.977 -2.826 1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.367 -2.142 3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.849 -4.592 3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.231 -3.850 4.146 1.00 0.00 H new ATOM 191 N GLU A 13 5.279 0.832 1.612 1.00 0.00 N ATOM 192 CA GLU A 13 4.146 1.604 2.112 1.00 0.00 C ATOM 193 C GLU A 13 3.188 1.959 0.980 1.00 0.00 C ATOM 194 O GLU A 13 3.612 2.365 -0.103 1.00 0.00 O ATOM 195 CB GLU A 13 4.636 2.880 2.801 1.00 0.00 C ATOM 196 CG GLU A 13 5.007 3.990 1.833 1.00 0.00 C ATOM 197 CD GLU A 13 5.620 5.190 2.528 1.00 0.00 C ATOM 198 OE1 GLU A 13 5.702 5.176 3.774 1.00 0.00 O ATOM 199 OE2 GLU A 13 6.018 6.143 1.826 1.00 0.00 O ATOM 0 H GLU A 13 5.730 1.229 0.788 1.00 0.00 H new ATOM 0 HA GLU A 13 3.611 0.990 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.858 3.241 3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.504 2.641 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.710 3.604 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.116 4.306 1.289 1.00 0.00 H new ATOM 206 N CYS A 14 1.894 1.803 1.238 1.00 0.00 N ATOM 207 CA CYS A 14 0.874 2.106 0.240 1.00 0.00 C ATOM 208 C CYS A 14 0.901 3.584 -0.135 1.00 0.00 C ATOM 209 O CYS A 14 1.213 4.440 0.694 1.00 0.00 O ATOM 210 CB CYS A 14 -0.512 1.726 0.765 1.00 0.00 C ATOM 211 SG CYS A 14 -1.279 2.991 1.805 1.00 0.00 S ATOM 0 H CYS A 14 1.527 1.469 2.129 1.00 0.00 H new ATOM 0 HA CYS A 14 1.090 1.520 -0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.166 1.522 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.432 0.801 1.336 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.566 4.077 1.764 1.00 0.00 H new ATOM 217 N LYS A 15 0.574 3.878 -1.388 1.00 0.00 N ATOM 218 CA LYS A 15 0.561 5.252 -1.874 1.00 0.00 C ATOM 219 C LYS A 15 -0.705 5.534 -2.677 1.00 0.00 C ATOM 220 O LYS A 15 -0.669 5.610 -3.905 1.00 0.00 O ATOM 221 CB LYS A 15 1.796 5.522 -2.738 1.00 0.00 C ATOM 222 CG LYS A 15 2.008 4.491 -3.832 1.00 0.00 C ATOM 223 CD LYS A 15 2.718 5.092 -5.034 1.00 0.00 C ATOM 224 CE LYS A 15 1.801 6.020 -5.817 1.00 0.00 C ATOM 225 NZ LYS A 15 0.622 5.297 -6.368 1.00 0.00 N ATOM 0 H LYS A 15 0.314 3.182 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 15 0.577 5.916 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.703 6.508 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.678 5.548 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.594 3.659 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.045 4.085 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.597 5.644 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.072 4.293 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.462 6.828 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.359 6.479 -6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.153 5.891 -7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.935 4.408 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.046 5.086 -5.599 1.00 0.00 H new ATOM 239 N TYR A 16 -1.823 5.689 -1.975 1.00 0.00 N ATOM 240 CA TYR A 16 -3.100 5.961 -2.623 1.00 0.00 C ATOM 241 C TYR A 16 -3.645 7.323 -2.202 1.00 0.00 C ATOM 242 O TYR A 16 -2.959 8.103 -1.542 1.00 0.00 O ATOM 243 CB TYR A 16 -4.112 4.866 -2.283 1.00 0.00 C ATOM 244 CG TYR A 16 -4.710 5.003 -0.901 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.943 4.769 0.235 1.00 0.00 C ATOM 246 CD2 TYR A 16 -6.040 5.365 -0.730 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.486 4.893 1.500 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.590 5.491 0.531 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.809 5.254 1.642 1.00 0.00 C ATOM 250 OH TYR A 16 -6.353 5.378 2.900 1.00 0.00 O ATOM 0 H TYR A 16 -1.870 5.631 -0.958 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.937 5.973 -3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.915 4.883 -3.020 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.625 3.894 -2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.906 4.486 0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.655 5.551 -1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.877 4.708 2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.626 5.774 0.646 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.294 5.640 2.825 1.00 0.00 H new ATOM 260 N LYS A 17 -4.886 7.601 -2.588 1.00 0.00 N ATOM 261 CA LYS A 17 -5.527 8.866 -2.250 1.00 0.00 C ATOM 262 C LYS A 17 -6.842 8.629 -1.514 1.00 0.00 C ATOM 263 O LYS A 17 -7.754 7.994 -2.041 1.00 0.00 O ATOM 264 CB LYS A 17 -5.780 9.687 -3.516 1.00 0.00 C ATOM 265 CG LYS A 17 -4.596 10.542 -3.933 1.00 0.00 C ATOM 266 CD LYS A 17 -4.703 10.972 -5.387 1.00 0.00 C ATOM 267 CE LYS A 17 -3.357 10.895 -6.092 1.00 0.00 C ATOM 268 NZ LYS A 17 -3.468 11.222 -7.539 1.00 0.00 N ATOM 0 H LYS A 17 -5.468 6.967 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.857 9.420 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.035 9.011 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.644 10.332 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.540 11.424 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.672 9.983 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.422 10.336 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.084 11.992 -5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.659 11.584 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.944 9.893 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.529 11.158 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.114 10.549 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.838 12.188 -7.649 1.00 0.00 H new ATOM 282 N ASN A 18 -6.933 9.148 -0.293 1.00 0.00 N ATOM 283 CA ASN A 18 -8.137 8.994 0.514 1.00 0.00 C ATOM 284 C ASN A 18 -8.859 10.328 0.675 1.00 0.00 C ATOM 285 O ASN A 18 -8.273 11.392 0.473 1.00 0.00 O ATOM 286 CB ASN A 18 -7.785 8.423 1.889 1.00 0.00 C ATOM 287 CG ASN A 18 -7.386 9.501 2.878 1.00 0.00 C ATOM 288 OD1 ASN A 18 -8.122 9.800 3.819 1.00 0.00 O ATOM 289 ND2 ASN A 18 -6.216 10.092 2.669 1.00 0.00 N ATOM 0 H ASN A 18 -6.188 9.678 0.158 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.802 8.301 -0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.641 7.873 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.968 7.709 1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.895 10.825 3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.638 9.813 1.876 1.00 0.00 H new ATOM 296 N ASP A 19 -10.135 10.264 1.041 1.00 0.00 N ATOM 297 CA ASP A 19 -10.937 11.468 1.231 1.00 0.00 C ATOM 298 C ASP A 19 -11.256 12.125 -0.108 1.00 0.00 C ATOM 299 O ASP A 19 -12.402 12.121 -0.555 1.00 0.00 O ATOM 300 CB ASP A 19 -10.203 12.457 2.137 1.00 0.00 C ATOM 301 CG ASP A 19 -11.145 13.445 2.798 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.780 14.237 2.070 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.247 13.426 4.042 1.00 0.00 O ATOM 0 H ASP A 19 -10.636 9.392 1.212 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.875 11.180 1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.660 11.907 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.462 13.001 1.551 1.00 0.00 H new ATOM 308 N ALA A 20 -10.234 12.690 -0.742 1.00 0.00 N ATOM 309 CA ALA A 20 -10.405 13.350 -2.031 1.00 0.00 C ATOM 310 C ALA A 20 -9.075 13.874 -2.560 1.00 0.00 C ATOM 311 O ALA A 20 -9.006 14.968 -3.119 1.00 0.00 O ATOM 312 CB ALA A 20 -11.412 14.484 -1.912 1.00 0.00 C ATOM 0 H ALA A 20 -9.279 12.704 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.784 12.615 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.531 14.969 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.372 14.085 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.056 15.212 -1.183 1.00 0.00 H new ATOM 318 N GLY A 21 -8.020 13.086 -2.381 1.00 0.00 N ATOM 319 CA GLY A 21 -6.706 13.488 -2.846 1.00 0.00 C ATOM 320 C GLY A 21 -5.750 13.779 -1.705 1.00 0.00 C ATOM 321 O GLY A 21 -4.711 14.409 -1.899 1.00 0.00 O ATOM 0 H GLY A 21 -8.052 12.176 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.289 12.700 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.801 14.376 -3.471 1.00 0.00 H new ATOM 325 N LYS A 22 -6.103 13.317 -0.509 1.00 0.00 N ATOM 326 CA LYS A 22 -5.270 13.530 0.669 1.00 0.00 C ATOM 327 C LYS A 22 -4.115 12.534 0.706 1.00 0.00 C ATOM 328 O LYS A 22 -4.322 11.337 0.902 1.00 0.00 O ATOM 329 CB LYS A 22 -6.110 13.401 1.943 1.00 0.00 C ATOM 330 CG LYS A 22 -6.764 14.701 2.374 1.00 0.00 C ATOM 331 CD LYS A 22 -7.622 15.288 1.266 1.00 0.00 C ATOM 332 CE LYS A 22 -8.347 16.543 1.728 1.00 0.00 C ATOM 333 NZ LYS A 22 -7.622 17.782 1.332 1.00 0.00 N ATOM 0 H LYS A 22 -6.960 12.793 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.857 14.537 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.884 12.650 1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.475 13.038 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.379 14.525 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.995 15.419 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.996 15.524 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.350 14.547 0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.351 16.559 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.459 16.519 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.149 18.614 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.673 17.780 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.537 17.818 0.296 1.00 0.00 H new ATOM 347 N ASP A 23 -2.900 13.038 0.517 1.00 0.00 N ATOM 348 CA ASP A 23 -1.712 12.194 0.532 1.00 0.00 C ATOM 349 C ASP A 23 -1.655 11.356 1.805 1.00 0.00 C ATOM 350 O ASP A 23 -1.751 11.885 2.914 1.00 0.00 O ATOM 351 CB ASP A 23 -0.450 13.049 0.411 1.00 0.00 C ATOM 352 CG ASP A 23 -0.238 13.574 -0.995 1.00 0.00 C ATOM 353 OD1 ASP A 23 -1.165 13.449 -1.821 1.00 0.00 O ATOM 354 OD2 ASP A 23 0.856 14.111 -1.268 1.00 0.00 O ATOM 0 H ASP A 23 -2.713 14.027 0.352 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.766 11.519 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.516 13.889 1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.416 12.458 0.709 1.00 0.00 H new ATOM 359 N THR A 24 -1.499 10.047 1.642 1.00 0.00 N ATOM 360 CA THR A 24 -1.432 9.137 2.778 1.00 0.00 C ATOM 361 C THR A 24 -0.551 7.931 2.466 1.00 0.00 C ATOM 362 O THR A 24 -0.720 7.275 1.439 1.00 0.00 O ATOM 363 CB THR A 24 -2.831 8.642 3.186 1.00 0.00 C ATOM 364 OG1 THR A 24 -3.647 9.751 3.580 1.00 0.00 O ATOM 365 CG2 THR A 24 -2.741 7.642 4.328 1.00 0.00 C ATOM 0 H THR A 24 -1.417 9.592 0.733 1.00 0.00 H new ATOM 0 HA THR A 24 -0.998 9.698 3.605 1.00 0.00 H new ATOM 0 HB THR A 24 -3.281 8.147 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.298 9.456 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.742 7.307 4.598 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.144 6.785 4.015 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.272 8.116 5.190 1.00 0.00 H new ATOM 373 N PHE A 25 0.390 7.646 3.359 1.00 0.00 N ATOM 374 CA PHE A 25 1.299 6.519 3.180 1.00 0.00 C ATOM 375 C PHE A 25 1.452 5.731 4.477 1.00 0.00 C ATOM 376 O PHE A 25 1.809 6.288 5.515 1.00 0.00 O ATOM 377 CB PHE A 25 2.667 7.010 2.703 1.00 0.00 C ATOM 378 CG PHE A 25 2.612 7.780 1.414 1.00 0.00 C ATOM 379 CD1 PHE A 25 2.150 9.086 1.391 1.00 0.00 C ATOM 380 CD2 PHE A 25 3.022 7.197 0.225 1.00 0.00 C ATOM 381 CE1 PHE A 25 2.098 9.796 0.207 1.00 0.00 C ATOM 382 CE2 PHE A 25 2.974 7.903 -0.962 1.00 0.00 C ATOM 383 CZ PHE A 25 2.511 9.204 -0.972 1.00 0.00 C ATOM 0 H PHE A 25 0.544 8.180 4.215 1.00 0.00 H new ATOM 0 HA PHE A 25 0.874 5.859 2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.107 7.641 3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.328 6.153 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.827 9.554 2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.383 6.179 0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.735 10.813 0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.298 7.438 -1.881 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.472 9.758 -1.899 1.00 0.00 H new ATOM 393 N ILE A 26 1.180 4.432 4.409 1.00 0.00 N ATOM 394 CA ILE A 26 1.288 3.568 5.577 1.00 0.00 C ATOM 395 C ILE A 26 1.948 2.240 5.219 1.00 0.00 C ATOM 396 O ILE A 26 1.538 1.564 4.275 1.00 0.00 O ATOM 397 CB ILE A 26 -0.091 3.291 6.202 1.00 0.00 C ATOM 398 CG1 ILE A 26 0.022 2.218 7.288 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.083 2.863 5.130 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.029 2.554 8.365 1.00 0.00 C ATOM 0 H ILE A 26 0.883 3.955 3.557 1.00 0.00 H new ATOM 0 HA ILE A 26 1.907 4.095 6.303 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.455 4.210 6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.956 2.073 7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.299 1.271 6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.053 2.671 5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.182 3.656 4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.725 1.955 4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.057 1.750 9.101 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.016 2.670 7.917 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.741 3.484 8.855 1.00 0.00 H new ATOM 412 N LYS A 27 2.972 1.870 5.981 1.00 0.00 N ATOM 413 CA LYS A 27 3.687 0.622 5.748 1.00 0.00 C ATOM 414 C LYS A 27 2.759 -0.577 5.912 1.00 0.00 C ATOM 415 O LYS A 27 1.969 -0.638 6.855 1.00 0.00 O ATOM 416 CB LYS A 27 4.870 0.500 6.713 1.00 0.00 C ATOM 417 CG LYS A 27 6.089 1.297 6.283 1.00 0.00 C ATOM 418 CD LYS A 27 6.879 1.796 7.482 1.00 0.00 C ATOM 419 CE LYS A 27 8.375 1.783 7.209 1.00 0.00 C ATOM 420 NZ LYS A 27 9.167 1.674 8.465 1.00 0.00 N ATOM 0 H LYS A 27 3.325 2.418 6.766 1.00 0.00 H new ATOM 0 HA LYS A 27 4.060 0.633 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.558 0.835 7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.147 -0.550 6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.729 0.675 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.775 2.145 5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.563 2.809 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.661 1.171 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.617 0.947 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.656 2.694 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.182 1.668 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.955 2.485 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.918 0.792 8.957 1.00 0.00 H new ATOM 434 N CYS A 28 2.861 -1.528 4.990 1.00 0.00 N ATOM 435 CA CYS A 28 2.029 -2.726 5.034 1.00 0.00 C ATOM 436 C CYS A 28 2.691 -3.818 5.868 1.00 0.00 C ATOM 437 O CYS A 28 3.913 -3.974 5.875 1.00 0.00 O ATOM 438 CB CYS A 28 1.764 -3.240 3.618 1.00 0.00 C ATOM 439 SG CYS A 28 1.320 -1.947 2.435 1.00 0.00 S ATOM 0 H CYS A 28 3.510 -1.493 4.204 1.00 0.00 H new ATOM 0 HA CYS A 28 1.080 -2.462 5.501 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.654 -3.757 3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.961 -3.976 3.654 1.00 0.00 H new ATOM 0 HG CYS A 28 0.586 -2.456 1.491 1.00 0.00 H new ATOM 445 N PRO A 29 1.869 -4.592 6.591 1.00 0.00 N ATOM 446 CA PRO A 29 2.353 -5.682 7.444 1.00 0.00 C ATOM 447 C PRO A 29 2.901 -6.852 6.634 1.00 0.00 C ATOM 448 O PRO A 29 2.352 -7.954 6.664 1.00 0.00 O ATOM 449 CB PRO A 29 1.103 -6.107 8.219 1.00 0.00 C ATOM 450 CG PRO A 29 -0.037 -5.711 7.346 1.00 0.00 C ATOM 451 CD PRO A 29 0.402 -4.464 6.631 1.00 0.00 C ATOM 0 HA PRO A 29 3.179 -5.366 8.081 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.101 -7.180 8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.050 -5.611 9.188 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.279 -6.503 6.637 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.935 -5.527 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.024 -4.404 5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.091 -3.565 7.163 1.00 0.00 H new ATOM 459 N LYS A 30 3.987 -6.607 5.909 1.00 0.00 N ATOM 460 CA LYS A 30 4.612 -7.640 5.092 1.00 0.00 C ATOM 461 C LYS A 30 6.129 -7.486 5.087 1.00 0.00 C ATOM 462 O LYS A 30 6.755 -7.429 4.028 1.00 0.00 O ATOM 463 CB LYS A 30 4.078 -7.577 3.659 1.00 0.00 C ATOM 464 CG LYS A 30 2.561 -7.571 3.575 1.00 0.00 C ATOM 465 CD LYS A 30 1.976 -8.918 3.965 1.00 0.00 C ATOM 466 CE LYS A 30 0.507 -8.799 4.339 1.00 0.00 C ATOM 467 NZ LYS A 30 -0.385 -9.066 3.176 1.00 0.00 N ATOM 0 H LYS A 30 4.453 -5.701 5.871 1.00 0.00 H new ATOM 0 HA LYS A 30 4.364 -8.610 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.464 -6.680 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.461 -8.430 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.162 -6.797 4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.253 -7.319 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.086 -9.618 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.535 -9.329 4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.278 -9.501 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.310 -7.799 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.378 -8.975 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.185 -8.380 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.216 -10.029 2.823 1.00 0.00 H new ATOM 481 N PHE A 31 6.716 -7.422 6.278 1.00 0.00 N ATOM 482 CA PHE A 31 8.161 -7.276 6.411 1.00 0.00 C ATOM 483 C PHE A 31 8.821 -8.623 6.688 1.00 0.00 C ATOM 484 O PHE A 31 9.749 -8.718 7.492 1.00 0.00 O ATOM 485 CB PHE A 31 8.495 -6.290 7.534 1.00 0.00 C ATOM 486 CG PHE A 31 7.800 -6.600 8.828 1.00 0.00 C ATOM 487 CD1 PHE A 31 6.552 -6.064 9.105 1.00 0.00 C ATOM 488 CD2 PHE A 31 8.393 -7.427 9.769 1.00 0.00 C ATOM 489 CE1 PHE A 31 5.909 -6.348 10.296 1.00 0.00 C ATOM 490 CE2 PHE A 31 7.755 -7.713 10.961 1.00 0.00 C ATOM 491 CZ PHE A 31 6.512 -7.172 11.225 1.00 0.00 C ATOM 0 H PHE A 31 6.213 -7.469 7.164 1.00 0.00 H new ATOM 0 HA PHE A 31 8.550 -6.888 5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.572 -6.291 7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.223 -5.284 7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.076 -5.417 8.383 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.365 -7.853 9.568 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.936 -5.926 10.499 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.228 -8.359 11.686 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.013 -7.393 12.157 1.00 0.00 H new ATOM 501 N ASP A 32 8.334 -9.663 6.020 1.00 0.00 N ATOM 502 CA ASP A 32 8.875 -11.005 6.193 1.00 0.00 C ATOM 503 C ASP A 32 8.058 -12.026 5.409 1.00 0.00 C ATOM 504 O ASP A 32 8.567 -13.077 5.020 1.00 0.00 O ATOM 505 CB ASP A 32 8.897 -11.382 7.676 1.00 0.00 C ATOM 506 CG ASP A 32 10.300 -11.647 8.185 1.00 0.00 C ATOM 507 OD1 ASP A 32 10.828 -12.747 7.923 1.00 0.00 O ATOM 508 OD2 ASP A 32 10.869 -10.754 8.849 1.00 0.00 O ATOM 0 H ASP A 32 7.565 -9.602 5.353 1.00 0.00 H new ATOM 0 HA ASP A 32 9.895 -11.011 5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.448 -10.578 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.284 -12.269 7.831 1.00 0.00 H new ATOM 513 N ASN A 33 6.787 -11.710 5.178 1.00 0.00 N ATOM 514 CA ASN A 33 5.899 -12.601 4.441 1.00 0.00 C ATOM 515 C ASN A 33 5.701 -12.109 3.011 1.00 0.00 C ATOM 516 O ASN A 33 5.242 -12.853 2.144 1.00 0.00 O ATOM 517 CB ASN A 33 4.547 -12.707 5.149 1.00 0.00 C ATOM 518 CG ASN A 33 4.691 -12.921 6.643 1.00 0.00 C ATOM 519 OD1 ASN A 33 5.710 -13.429 7.113 1.00 0.00 O ATOM 520 ND2 ASN A 33 3.669 -12.534 7.398 1.00 0.00 N ATOM 0 H ASN A 33 6.350 -10.843 5.491 1.00 0.00 H new ATOM 0 HA ASN A 33 6.361 -13.588 4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.974 -11.798 4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.979 -13.532 4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.709 -12.653 8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.844 -12.118 6.966 1.00 0.00 H new ATOM 527 N LYS A 34 6.049 -10.850 2.770 1.00 0.00 N ATOM 528 CA LYS A 34 5.912 -10.256 1.445 1.00 0.00 C ATOM 529 C LYS A 34 6.473 -8.838 1.423 1.00 0.00 C ATOM 530 O LYS A 34 5.726 -7.865 1.311 1.00 0.00 O ATOM 531 CB LYS A 34 4.441 -10.241 1.021 1.00 0.00 C ATOM 532 CG LYS A 34 4.242 -10.284 -0.484 1.00 0.00 C ATOM 533 CD LYS A 34 3.715 -11.636 -0.938 1.00 0.00 C ATOM 534 CE LYS A 34 3.418 -11.645 -2.429 1.00 0.00 C ATOM 535 NZ LYS A 34 3.557 -13.007 -3.014 1.00 0.00 N ATOM 0 H LYS A 34 6.429 -10.220 3.476 1.00 0.00 H new ATOM 0 HA LYS A 34 6.481 -10.863 0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.933 -11.094 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.967 -9.343 1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.544 -9.502 -0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.188 -10.075 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.447 -12.410 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.809 -11.879 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.406 -11.278 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.096 -10.960 -2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.346 -12.971 -4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.530 -13.347 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.892 -13.655 -2.546 1.00 0.00 H new ATOM 549 N LYS A 35 7.793 -8.728 1.528 1.00 0.00 N ATOM 550 CA LYS A 35 8.455 -7.429 1.518 1.00 0.00 C ATOM 551 C LYS A 35 8.551 -6.879 0.098 1.00 0.00 C ATOM 552 O LYS A 35 9.360 -7.346 -0.705 1.00 0.00 O ATOM 553 CB LYS A 35 9.855 -7.542 2.128 1.00 0.00 C ATOM 554 CG LYS A 35 9.853 -8.036 3.563 1.00 0.00 C ATOM 555 CD LYS A 35 10.792 -9.217 3.747 1.00 0.00 C ATOM 556 CE LYS A 35 12.227 -8.846 3.402 1.00 0.00 C ATOM 557 NZ LYS A 35 12.731 -9.611 2.230 1.00 0.00 N ATOM 0 H LYS A 35 8.425 -9.523 1.621 1.00 0.00 H new ATOM 0 HA LYS A 35 7.859 -6.740 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.454 -8.220 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.339 -6.566 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.151 -7.226 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.842 -8.326 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.743 -9.565 4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.467 -10.044 3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.285 -7.778 3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.868 -9.036 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.469 -9.060 1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.129 -10.516 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.947 -9.792 1.571 1.00 0.00 H new ATOM 571 N CYS A 36 7.724 -5.884 -0.204 1.00 0.00 N ATOM 572 CA CYS A 36 7.716 -5.271 -1.527 1.00 0.00 C ATOM 573 C CYS A 36 9.121 -4.838 -1.933 1.00 0.00 C ATOM 574 O CYS A 36 9.833 -4.193 -1.162 1.00 0.00 O ATOM 575 CB CYS A 36 6.773 -4.067 -1.548 1.00 0.00 C ATOM 576 SG CYS A 36 5.096 -4.454 -2.101 1.00 0.00 S ATOM 0 H CYS A 36 7.050 -5.485 0.450 1.00 0.00 H new ATOM 0 HA CYS A 36 7.362 -6.013 -2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.724 -3.639 -0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.192 -3.302 -2.201 1.00 0.00 H new ATOM 0 HG CYS A 36 4.311 -4.551 -1.070 1.00 0.00 H new ATOM 582 N THR A 37 9.517 -5.198 -3.150 1.00 0.00 N ATOM 583 CA THR A 37 10.838 -4.850 -3.658 1.00 0.00 C ATOM 584 C THR A 37 10.769 -4.421 -5.120 1.00 0.00 C ATOM 585 O THR A 37 11.638 -4.767 -5.921 1.00 0.00 O ATOM 586 CB THR A 37 11.819 -6.030 -3.528 1.00 0.00 C ATOM 587 OG1 THR A 37 11.506 -7.038 -4.495 1.00 0.00 O ATOM 588 CG2 THR A 37 11.764 -6.628 -2.130 1.00 0.00 C ATOM 0 H THR A 37 8.941 -5.731 -3.802 1.00 0.00 H new ATOM 0 HA THR A 37 11.200 -4.018 -3.054 1.00 0.00 H new ATOM 0 HB THR A 37 12.827 -5.656 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.600 -6.667 -5.397 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.465 -7.460 -2.062 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.032 -5.866 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.755 -6.987 -1.927 1.00 0.00 H new ATOM 596 N LYS A 38 9.730 -3.666 -5.461 1.00 0.00 N ATOM 597 CA LYS A 38 9.549 -3.186 -6.826 1.00 0.00 C ATOM 598 C LYS A 38 8.912 -1.800 -6.836 1.00 0.00 C ATOM 599 O LYS A 38 8.210 -1.423 -5.898 1.00 0.00 O ATOM 600 CB LYS A 38 8.678 -4.165 -7.620 1.00 0.00 C ATOM 601 CG LYS A 38 9.459 -4.996 -8.624 1.00 0.00 C ATOM 602 CD LYS A 38 8.904 -6.406 -8.731 1.00 0.00 C ATOM 603 CE LYS A 38 7.564 -6.424 -9.452 1.00 0.00 C ATOM 604 NZ LYS A 38 7.605 -7.270 -10.676 1.00 0.00 N ATOM 0 H LYS A 38 9.001 -3.373 -4.811 1.00 0.00 H new ATOM 0 HA LYS A 38 10.531 -3.118 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.170 -4.833 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.905 -3.606 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.424 -4.515 -9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.507 -5.038 -8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.614 -7.038 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.787 -6.829 -7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.794 -6.798 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.284 -5.406 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.674 -7.256 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.322 -6.899 -11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.848 -8.247 -10.415 1.00 0.00 H new ATOM 618 N ASP A 39 9.161 -1.048 -7.903 1.00 0.00 N ATOM 619 CA ASP A 39 8.610 0.295 -8.035 1.00 0.00 C ATOM 620 C ASP A 39 7.212 0.252 -8.645 1.00 0.00 C ATOM 621 O ASP A 39 7.039 -0.143 -9.796 1.00 0.00 O ATOM 622 CB ASP A 39 9.528 1.164 -8.897 1.00 0.00 C ATOM 623 CG ASP A 39 10.125 0.397 -10.061 1.00 0.00 C ATOM 624 OD1 ASP A 39 9.454 -0.524 -10.571 1.00 0.00 O ATOM 625 OD2 ASP A 39 11.262 0.720 -10.464 1.00 0.00 O ATOM 0 H ASP A 39 9.740 -1.346 -8.688 1.00 0.00 H new ATOM 0 HA ASP A 39 8.539 0.731 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.965 2.016 -9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.332 1.564 -8.278 1.00 0.00 H new ATOM 630 N ASN A 40 6.219 0.660 -7.863 1.00 0.00 N ATOM 631 CA ASN A 40 4.835 0.666 -8.325 1.00 0.00 C ATOM 632 C ASN A 40 4.339 -0.755 -8.573 1.00 0.00 C ATOM 633 O ASN A 40 3.484 -0.985 -9.427 1.00 0.00 O ATOM 634 CB ASN A 40 4.706 1.494 -9.606 1.00 0.00 C ATOM 635 CG ASN A 40 4.164 2.885 -9.342 1.00 0.00 C ATOM 636 OD1 ASN A 40 3.197 3.316 -9.971 1.00 0.00 O ATOM 637 ND2 ASN A 40 4.787 3.596 -8.409 1.00 0.00 N ATOM 0 H ASN A 40 6.346 0.991 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 40 4.220 1.116 -7.546 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.682 1.572 -10.085 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.048 0.977 -10.305 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.468 4.539 -8.189 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.585 3.199 -7.913 1.00 0.00 H new ATOM 644 N ASN A 41 4.880 -1.706 -7.818 1.00 0.00 N ATOM 645 CA ASN A 41 4.492 -3.104 -7.955 1.00 0.00 C ATOM 646 C ASN A 41 2.975 -3.257 -7.890 1.00 0.00 C ATOM 647 O ASN A 41 2.313 -3.432 -8.913 1.00 0.00 O ATOM 648 CB ASN A 41 5.148 -3.947 -6.860 1.00 0.00 C ATOM 649 CG ASN A 41 5.343 -3.170 -5.571 1.00 0.00 C ATOM 650 OD1 ASN A 41 4.514 -2.338 -5.204 1.00 0.00 O ATOM 651 ND2 ASN A 41 6.444 -3.440 -4.879 1.00 0.00 N ATOM 0 H ASN A 41 5.589 -1.533 -7.105 1.00 0.00 H new ATOM 0 HA ASN A 41 4.833 -3.456 -8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.532 -4.824 -6.663 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.114 -4.308 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.630 -2.949 -4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.104 -4.138 -5.222 1.00 0.00 H new ATOM 658 N LYS A 42 2.430 -3.189 -6.680 1.00 0.00 N ATOM 659 CA LYS A 42 0.992 -3.318 -6.479 1.00 0.00 C ATOM 660 C LYS A 42 0.637 -3.208 -5.000 1.00 0.00 C ATOM 661 O LYS A 42 1.420 -3.598 -4.134 1.00 0.00 O ATOM 662 CB LYS A 42 0.496 -4.655 -7.036 1.00 0.00 C ATOM 663 CG LYS A 42 -0.933 -4.986 -6.640 1.00 0.00 C ATOM 664 CD LYS A 42 -1.559 -5.986 -7.598 1.00 0.00 C ATOM 665 CE LYS A 42 -1.388 -7.414 -7.104 1.00 0.00 C ATOM 666 NZ LYS A 42 -2.677 -8.158 -7.104 1.00 0.00 N ATOM 0 H LYS A 42 2.964 -3.045 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 42 0.501 -2.504 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.568 -4.635 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.154 -5.451 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.947 -5.392 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.528 -4.073 -6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.620 -5.765 -7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.102 -5.883 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.669 -7.934 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.975 -7.402 -6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.519 -9.127 -6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.356 -7.676 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.059 -8.191 -8.071 1.00 0.00 H new ATOM 680 N CYS A 43 -0.547 -2.678 -4.718 1.00 0.00 N ATOM 681 CA CYS A 43 -1.006 -2.518 -3.343 1.00 0.00 C ATOM 682 C CYS A 43 -2.515 -2.293 -3.296 1.00 0.00 C ATOM 683 O CYS A 43 -3.162 -2.131 -4.330 1.00 0.00 O ATOM 684 CB CYS A 43 -0.283 -1.347 -2.675 1.00 0.00 C ATOM 685 SG CYS A 43 0.089 -1.612 -0.926 1.00 0.00 S ATOM 0 H CYS A 43 -1.207 -2.351 -5.423 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.776 -3.435 -2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.648 -1.156 -3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.896 -0.451 -2.774 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.338 -2.786 -0.565 1.00 0.00 H new ATOM 691 N THR A 44 -3.069 -2.289 -2.087 1.00 0.00 N ATOM 692 CA THR A 44 -4.501 -2.088 -1.905 1.00 0.00 C ATOM 693 C THR A 44 -4.814 -1.624 -0.487 1.00 0.00 C ATOM 694 O THR A 44 -4.049 -1.877 0.444 1.00 0.00 O ATOM 695 CB THR A 44 -5.290 -3.377 -2.197 1.00 0.00 C ATOM 696 OG1 THR A 44 -4.387 -4.461 -2.440 1.00 0.00 O ATOM 697 CG2 THR A 44 -6.204 -3.191 -3.399 1.00 0.00 C ATOM 0 H THR A 44 -2.548 -2.423 -1.220 1.00 0.00 H new ATOM 0 HA THR A 44 -4.805 -1.317 -2.613 1.00 0.00 H new ATOM 0 HB THR A 44 -5.904 -3.606 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.898 -5.277 -2.623 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.751 -4.115 -3.586 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.910 -2.385 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.606 -2.939 -4.275 1.00 0.00 H new ATOM 705 N VAL A 45 -5.945 -0.942 -0.328 1.00 0.00 N ATOM 706 CA VAL A 45 -6.361 -0.444 0.977 1.00 0.00 C ATOM 707 C VAL A 45 -7.879 -0.360 1.075 1.00 0.00 C ATOM 708 O VAL A 45 -8.500 0.537 0.504 1.00 0.00 O ATOM 709 CB VAL A 45 -5.761 0.946 1.265 1.00 0.00 C ATOM 710 CG1 VAL A 45 -6.351 1.528 2.539 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.245 0.862 1.359 1.00 0.00 C ATOM 0 H VAL A 45 -6.589 -0.722 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.991 -1.152 1.718 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.015 1.611 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.916 2.510 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.431 1.625 2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.130 0.867 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.838 1.852 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.968 0.183 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.842 0.491 0.417 1.00 0.00 H new ATOM 721 N ASP A 46 -8.473 -1.299 1.802 1.00 0.00 N ATOM 722 CA ASP A 46 -9.920 -1.331 1.978 1.00 0.00 C ATOM 723 C ASP A 46 -10.340 -0.500 3.186 1.00 0.00 C ATOM 724 O ASP A 46 -9.911 -0.759 4.311 1.00 0.00 O ATOM 725 CB ASP A 46 -10.404 -2.773 2.141 1.00 0.00 C ATOM 726 CG ASP A 46 -9.616 -3.748 1.290 1.00 0.00 C ATOM 727 OD1 ASP A 46 -9.839 -3.779 0.061 1.00 0.00 O ATOM 728 OD2 ASP A 46 -8.774 -4.480 1.851 1.00 0.00 O ATOM 0 H ASP A 46 -7.974 -2.049 2.280 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.379 -0.901 1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.325 -3.063 3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.459 -2.832 1.873 1.00 0.00 H new ATOM 733 N THR A 47 -11.181 0.501 2.946 1.00 0.00 N ATOM 734 CA THR A 47 -11.658 1.371 4.013 1.00 0.00 C ATOM 735 C THR A 47 -12.671 0.654 4.897 1.00 0.00 C ATOM 736 O THR A 47 -12.986 1.112 5.996 1.00 0.00 O ATOM 737 CB THR A 47 -12.303 2.651 3.449 1.00 0.00 C ATOM 738 OG1 THR A 47 -12.890 2.382 2.171 1.00 0.00 O ATOM 739 CG2 THR A 47 -11.271 3.762 3.313 1.00 0.00 C ATOM 0 H THR A 47 -11.546 0.729 2.021 1.00 0.00 H new ATOM 0 HA THR A 47 -10.787 1.643 4.610 1.00 0.00 H new ATOM 0 HB THR A 47 -13.077 2.977 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.299 3.200 1.820 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.749 4.656 2.913 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.846 3.985 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.478 3.441 2.637 1.00 0.00 H new ATOM 747 N TYR A 48 -13.178 -0.475 4.413 1.00 0.00 N ATOM 748 CA TYR A 48 -14.157 -1.256 5.159 1.00 0.00 C ATOM 749 C TYR A 48 -13.676 -1.516 6.582 1.00 0.00 C ATOM 750 O TYR A 48 -14.412 -1.308 7.547 1.00 0.00 O ATOM 751 CB TYR A 48 -14.430 -2.583 4.450 1.00 0.00 C ATOM 752 CG TYR A 48 -15.164 -3.588 5.308 1.00 0.00 C ATOM 753 CD1 TYR A 48 -16.216 -3.195 6.128 1.00 0.00 C ATOM 754 CD2 TYR A 48 -14.808 -4.931 5.297 1.00 0.00 C ATOM 755 CE1 TYR A 48 -16.888 -4.110 6.913 1.00 0.00 C ATOM 756 CE2 TYR A 48 -15.477 -5.853 6.079 1.00 0.00 C ATOM 757 CZ TYR A 48 -16.516 -5.438 6.885 1.00 0.00 C ATOM 758 OH TYR A 48 -17.186 -6.353 7.666 1.00 0.00 O ATOM 0 H TYR A 48 -12.927 -0.870 3.507 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.082 -0.681 5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -15.014 -2.391 3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.482 -3.015 4.129 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.512 -2.157 6.151 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -13.995 -5.260 4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.701 -3.788 7.546 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -15.188 -6.893 6.059 1.00 0.00 H new ATOM 0 HH TYR A 48 -16.801 -7.244 7.529 1.00 0.00 H new ATOM 768 N ASN A 49 -12.433 -1.972 6.706 1.00 0.00 N ATOM 769 CA ASN A 49 -11.851 -2.261 8.012 1.00 0.00 C ATOM 770 C ASN A 49 -10.337 -2.076 7.985 1.00 0.00 C ATOM 771 O ASN A 49 -9.597 -2.847 8.595 1.00 0.00 O ATOM 772 CB ASN A 49 -12.194 -3.689 8.441 1.00 0.00 C ATOM 773 CG ASN A 49 -12.450 -3.799 9.932 1.00 0.00 C ATOM 774 OD1 ASN A 49 -13.573 -3.608 10.397 1.00 0.00 O ATOM 775 ND2 ASN A 49 -11.403 -4.107 10.689 1.00 0.00 N ATOM 0 H ASN A 49 -11.810 -2.149 5.918 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.272 -1.561 8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.077 -4.027 7.898 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.376 -4.355 8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.512 -4.194 11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.490 -4.257 10.260 1.00 0.00 H new ATOM 782 N ASN A 50 -9.884 -1.049 7.274 1.00 0.00 N ATOM 783 CA ASN A 50 -8.457 -0.763 7.168 1.00 0.00 C ATOM 784 C ASN A 50 -7.677 -2.019 6.792 1.00 0.00 C ATOM 785 O ASN A 50 -6.795 -2.458 7.529 1.00 0.00 O ATOM 786 CB ASN A 50 -7.930 -0.197 8.488 1.00 0.00 C ATOM 787 CG ASN A 50 -6.758 0.744 8.287 1.00 0.00 C ATOM 788 OD1 ASN A 50 -5.714 0.598 8.923 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.927 1.717 7.399 1.00 0.00 N ATOM 0 H ASN A 50 -10.483 -0.401 6.763 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.318 -0.022 6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.734 0.332 9.000 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.626 -1.018 9.137 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.174 2.382 7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.810 1.800 6.895 1.00 0.00 H new ATOM 796 N ALA A 51 -8.008 -2.591 5.639 1.00 0.00 N ATOM 797 CA ALA A 51 -7.338 -3.795 5.163 1.00 0.00 C ATOM 798 C ALA A 51 -6.364 -3.471 4.035 1.00 0.00 C ATOM 799 O ALA A 51 -6.774 -3.199 2.907 1.00 0.00 O ATOM 800 CB ALA A 51 -8.360 -4.822 4.701 1.00 0.00 C ATOM 0 H ALA A 51 -8.736 -2.240 5.017 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.768 -4.215 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.844 -5.715 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.013 -5.085 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.956 -4.403 3.890 1.00 0.00 H new ATOM 806 N VAL A 52 -5.072 -3.500 4.348 1.00 0.00 N ATOM 807 CA VAL A 52 -4.040 -3.209 3.360 1.00 0.00 C ATOM 808 C VAL A 52 -3.416 -4.493 2.823 1.00 0.00 C ATOM 809 O VAL A 52 -3.207 -5.452 3.567 1.00 0.00 O ATOM 810 CB VAL A 52 -2.930 -2.322 3.953 1.00 0.00 C ATOM 811 CG1 VAL A 52 -2.020 -1.798 2.853 1.00 0.00 C ATOM 812 CG2 VAL A 52 -3.534 -1.173 4.748 1.00 0.00 C ATOM 0 H VAL A 52 -4.716 -3.722 5.278 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.525 -2.674 2.543 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.329 -2.928 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.242 -1.173 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.560 -2.637 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.605 -1.208 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.735 -0.556 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.160 -0.567 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.140 -1.572 5.561 1.00 0.00 H new ATOM 822 N ASP A 53 -3.121 -4.504 1.529 1.00 0.00 N ATOM 823 CA ASP A 53 -2.520 -5.670 0.890 1.00 0.00 C ATOM 824 C ASP A 53 -1.154 -5.326 0.307 1.00 0.00 C ATOM 825 O ASP A 53 -0.624 -4.238 0.540 1.00 0.00 O ATOM 826 CB ASP A 53 -3.438 -6.208 -0.208 1.00 0.00 C ATOM 827 CG ASP A 53 -3.844 -7.649 0.029 1.00 0.00 C ATOM 828 OD1 ASP A 53 -4.086 -8.012 1.199 1.00 0.00 O ATOM 829 OD2 ASP A 53 -3.921 -8.413 -0.955 1.00 0.00 O ATOM 0 H ASP A 53 -3.288 -3.718 0.900 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.387 -6.441 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.332 -5.587 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.932 -6.130 -1.170 1.00 0.00 H new ATOM 834 N CYS A 54 -0.588 -6.258 -0.451 1.00 0.00 N ATOM 835 CA CYS A 54 0.719 -6.054 -1.067 1.00 0.00 C ATOM 836 C CYS A 54 0.886 -6.943 -2.295 1.00 0.00 C ATOM 837 O CYS A 54 0.155 -7.918 -2.472 1.00 0.00 O ATOM 838 CB CYS A 54 1.831 -6.341 -0.058 1.00 0.00 C ATOM 839 SG CYS A 54 2.550 -4.860 0.691 1.00 0.00 S ATOM 0 H CYS A 54 -1.013 -7.163 -0.654 1.00 0.00 H new ATOM 0 HA CYS A 54 0.786 -5.013 -1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.434 -6.978 0.732 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.621 -6.904 -0.555 1.00 0.00 H new ATOM 0 HG CYS A 54 1.598 -4.073 1.096 1.00 0.00 H new ATOM 845 N ASP A 55 1.852 -6.601 -3.140 1.00 0.00 N ATOM 846 CA ASP A 55 2.115 -7.368 -4.351 1.00 0.00 C ATOM 847 C ASP A 55 2.757 -8.711 -4.017 1.00 0.00 C ATOM 848 O ASP A 55 2.395 -9.742 -4.586 1.00 0.00 O ATOM 849 CB ASP A 55 3.023 -6.577 -5.295 1.00 0.00 C ATOM 850 CG ASP A 55 3.048 -7.156 -6.695 1.00 0.00 C ATOM 851 OD1 ASP A 55 2.002 -7.668 -7.146 1.00 0.00 O ATOM 852 OD2 ASP A 55 4.115 -7.098 -7.342 1.00 0.00 O ATOM 0 H ASP A 55 2.466 -5.797 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 55 1.162 -7.554 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.683 -5.542 -5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.036 -6.563 -4.893 1.00 0.00 H new