USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -136:sc= 0.0565 (180deg=-0.526) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.535 (180deg=-1.43!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00672 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00885 K(o=-0.0088,f=-1.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0848 K(o=-0.085,f=-0.86) USER MOD Single : A 37 SER OG : rot 76:sc= 0.783 USER MOD Single : A 40 CYS SG : rot -81:sc= -1.21! USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc=-0.00648 X(o=-0.0065,f=-0.19) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 48 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.75) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -160:sc= -0.428 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 81:sc= 0.353 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.418 -35.946 9.307 1.00 0.00 N ATOM 2 CA GLU A 1 1.147 -36.715 9.183 1.00 0.00 C ATOM 3 C GLU A 1 0.214 -35.994 8.215 1.00 0.00 C ATOM 4 O GLU A 1 0.609 -35.034 7.555 1.00 0.00 O ATOM 5 CB GLU A 1 0.486 -36.826 10.558 1.00 0.00 C ATOM 6 CG GLU A 1 1.410 -37.587 11.510 1.00 0.00 C ATOM 7 CD GLU A 1 0.732 -37.768 12.864 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.314 -37.173 13.064 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.267 -38.499 13.679 1.00 0.00 O ATOM 0 H1 GLU A 1 3.225 -36.601 9.271 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.490 -35.265 8.524 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.427 -35.435 10.213 1.00 0.00 H new ATOM 0 HA GLU A 1 1.356 -37.715 8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.278 -35.832 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.470 -37.342 10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.660 -38.560 11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.346 -37.043 11.633 1.00 0.00 H new ATOM 18 N SER A 2 -1.027 -36.465 8.137 1.00 0.00 N ATOM 19 CA SER A 2 -2.010 -35.858 7.246 1.00 0.00 C ATOM 20 C SER A 2 -1.512 -35.875 5.803 1.00 0.00 C ATOM 21 O SER A 2 -1.426 -34.831 5.155 1.00 0.00 O ATOM 22 CB SER A 2 -2.279 -34.416 7.676 1.00 0.00 C ATOM 23 OG SER A 2 -2.389 -34.361 9.092 1.00 0.00 O ATOM 0 H SER A 2 -1.374 -37.259 8.675 1.00 0.00 H new ATOM 0 HA SER A 2 -2.932 -36.436 7.306 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.472 -33.767 7.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.197 -34.052 7.214 1.00 0.00 H new ATOM 0 HG SER A 2 -2.560 -33.437 9.371 1.00 0.00 H new ATOM 29 N PRO A 3 -1.188 -37.034 5.294 1.00 0.00 N ATOM 30 CA PRO A 3 -0.690 -37.189 3.896 1.00 0.00 C ATOM 31 C PRO A 3 -1.776 -36.900 2.863 1.00 0.00 C ATOM 32 O PRO A 3 -1.485 -36.674 1.688 1.00 0.00 O ATOM 33 CB PRO A 3 -0.241 -38.650 3.821 1.00 0.00 C ATOM 34 CG PRO A 3 -0.991 -39.356 4.902 1.00 0.00 C ATOM 35 CD PRO A 3 -1.261 -38.324 5.996 1.00 0.00 C ATOM 0 HA PRO A 3 0.111 -36.484 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.464 -39.079 2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.835 -38.737 3.969 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.925 -39.768 4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.411 -40.192 5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.239 -38.474 6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.522 -38.386 6.795 1.00 0.00 H new ATOM 43 N LYS A 4 -3.028 -36.910 3.308 1.00 0.00 N ATOM 44 CA LYS A 4 -4.151 -36.652 2.413 1.00 0.00 C ATOM 45 C LYS A 4 -4.239 -35.165 2.079 1.00 0.00 C ATOM 46 O LYS A 4 -5.060 -34.751 1.261 1.00 0.00 O ATOM 47 CB LYS A 4 -5.456 -37.109 3.068 1.00 0.00 C ATOM 48 CG LYS A 4 -5.301 -38.542 3.586 1.00 0.00 C ATOM 49 CD LYS A 4 -5.025 -39.490 2.416 1.00 0.00 C ATOM 50 CE LYS A 4 -5.399 -40.917 2.821 1.00 0.00 C ATOM 51 NZ LYS A 4 -5.275 -41.064 4.300 1.00 0.00 N ATOM 0 H LYS A 4 -3.290 -37.093 4.277 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.993 -37.211 1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.715 -36.441 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.272 -37.059 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.485 -38.592 4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.207 -38.849 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.601 -39.185 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.973 -39.443 2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.419 -41.140 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.747 -41.632 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.243 -42.074 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.401 -40.601 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.094 -40.620 4.763 1.00 0.00 H new ATOM 65 N GLU A 5 -3.388 -34.368 2.718 1.00 0.00 N ATOM 66 CA GLU A 5 -3.380 -32.930 2.478 1.00 0.00 C ATOM 67 C GLU A 5 -2.335 -32.566 1.427 1.00 0.00 C ATOM 68 O GLU A 5 -1.439 -33.357 1.132 1.00 0.00 O ATOM 69 CB GLU A 5 -3.077 -32.183 3.778 1.00 0.00 C ATOM 70 CG GLU A 5 -4.147 -32.513 4.822 1.00 0.00 C ATOM 71 CD GLU A 5 -5.499 -31.969 4.375 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.514 -31.112 3.506 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.501 -32.417 4.907 1.00 0.00 O ATOM 0 H GLU A 5 -2.701 -34.690 3.400 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.365 -32.639 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.092 -32.465 4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.053 -31.109 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.209 -33.592 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.873 -32.081 5.785 1.00 0.00 H new ATOM 80 N HIS A 6 -2.457 -31.367 0.869 1.00 0.00 N ATOM 81 CA HIS A 6 -1.515 -30.911 -0.148 1.00 0.00 C ATOM 82 C HIS A 6 -0.441 -30.028 0.479 1.00 0.00 C ATOM 83 O HIS A 6 -0.635 -29.463 1.555 1.00 0.00 O ATOM 84 CB HIS A 6 -2.252 -30.127 -1.236 1.00 0.00 C ATOM 85 CG HIS A 6 -3.580 -30.777 -1.512 1.00 0.00 C ATOM 86 ND1 HIS A 6 -3.685 -32.091 -1.943 1.00 0.00 N ATOM 87 CD2 HIS A 6 -4.866 -30.306 -1.424 1.00 0.00 C ATOM 88 CE1 HIS A 6 -4.994 -32.363 -2.097 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.758 -31.309 -1.795 1.00 0.00 N ATOM 0 H HIS A 6 -3.191 -30.698 1.100 1.00 0.00 H new ATOM 0 HA HIS A 6 -1.040 -31.785 -0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -2.400 -29.095 -0.918 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.653 -30.098 -2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.144 -29.309 -1.114 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.380 -33.317 -2.425 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.776 -31.252 -1.829 1.00 0.00 H new ATOM 98 N ASP A 7 0.695 -29.920 -0.202 1.00 0.00 N ATOM 99 CA ASP A 7 1.800 -29.109 0.293 1.00 0.00 C ATOM 100 C ASP A 7 1.345 -27.691 0.659 1.00 0.00 C ATOM 101 O ASP A 7 1.596 -27.235 1.776 1.00 0.00 O ATOM 102 CB ASP A 7 2.913 -29.044 -0.755 1.00 0.00 C ATOM 103 CG ASP A 7 4.141 -29.798 -0.254 1.00 0.00 C ATOM 104 OD1 ASP A 7 4.229 -30.987 -0.515 1.00 0.00 O ATOM 105 OD2 ASP A 7 4.976 -29.177 0.383 1.00 0.00 O ATOM 0 H ASP A 7 0.874 -30.382 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 7 2.178 -29.583 1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.567 -29.477 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.172 -28.005 -0.960 1.00 0.00 H new ATOM 110 N PRO A 8 0.700 -26.979 -0.240 1.00 0.00 N ATOM 111 CA PRO A 8 0.240 -25.587 0.038 1.00 0.00 C ATOM 112 C PRO A 8 -1.002 -25.541 0.927 1.00 0.00 C ATOM 113 O PRO A 8 -1.381 -24.477 1.416 1.00 0.00 O ATOM 114 CB PRO A 8 -0.055 -25.018 -1.349 1.00 0.00 C ATOM 115 CG PRO A 8 -0.379 -26.195 -2.208 1.00 0.00 C ATOM 116 CD PRO A 8 0.338 -27.407 -1.606 1.00 0.00 C ATOM 0 HA PRO A 8 0.989 -25.017 0.588 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.889 -24.317 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.804 -24.473 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.456 -26.362 -2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.051 -26.025 -3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.310 -28.284 -1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.221 -27.674 -2.186 1.00 0.00 H new ATOM 124 N PHE A 9 -1.631 -26.693 1.132 1.00 0.00 N ATOM 125 CA PHE A 9 -2.829 -26.756 1.966 1.00 0.00 C ATOM 126 C PHE A 9 -2.572 -26.114 3.325 1.00 0.00 C ATOM 127 O PHE A 9 -3.461 -25.493 3.908 1.00 0.00 O ATOM 128 CB PHE A 9 -3.258 -28.210 2.165 1.00 0.00 C ATOM 129 CG PHE A 9 -4.593 -28.246 2.870 1.00 0.00 C ATOM 130 CD1 PHE A 9 -5.773 -28.063 2.139 1.00 0.00 C ATOM 131 CD2 PHE A 9 -4.651 -28.458 4.253 1.00 0.00 C ATOM 132 CE1 PHE A 9 -7.011 -28.094 2.791 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.890 -28.489 4.904 1.00 0.00 C ATOM 134 CZ PHE A 9 -7.070 -28.307 4.173 1.00 0.00 C ATOM 0 H PHE A 9 -1.337 -27.587 0.738 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.624 -26.209 1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.329 -28.715 1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.510 -28.745 2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.728 -27.898 1.073 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.741 -28.597 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.921 -27.953 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.936 -28.653 5.970 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.026 -28.331 4.675 1.00 0.00 H new ATOM 144 N THR A 10 -1.353 -26.276 3.829 1.00 0.00 N ATOM 145 CA THR A 10 -0.989 -25.715 5.126 1.00 0.00 C ATOM 146 C THR A 10 -1.270 -24.214 5.167 1.00 0.00 C ATOM 147 O THR A 10 -1.627 -23.675 6.215 1.00 0.00 O ATOM 148 CB THR A 10 0.496 -25.965 5.401 1.00 0.00 C ATOM 149 OG1 THR A 10 0.805 -27.322 5.115 1.00 0.00 O ATOM 150 CG2 THR A 10 0.807 -25.671 6.871 1.00 0.00 C ATOM 0 H THR A 10 -0.604 -26.788 3.363 1.00 0.00 H new ATOM 0 HA THR A 10 -1.592 -26.203 5.892 1.00 0.00 H new ATOM 0 HB THR A 10 1.096 -25.310 4.769 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.756 -27.485 5.289 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.865 -25.850 7.062 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.570 -24.630 7.092 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.208 -26.323 7.507 1.00 0.00 H new ATOM 158 N TYR A 11 -1.098 -23.550 4.025 1.00 0.00 N ATOM 159 CA TYR A 11 -1.327 -22.108 3.937 1.00 0.00 C ATOM 160 C TYR A 11 -2.538 -21.799 3.063 1.00 0.00 C ATOM 161 O TYR A 11 -2.677 -22.335 1.964 1.00 0.00 O ATOM 162 CB TYR A 11 -0.090 -21.424 3.352 1.00 0.00 C ATOM 163 CG TYR A 11 1.085 -21.629 4.278 1.00 0.00 C ATOM 164 CD1 TYR A 11 1.212 -20.845 5.431 1.00 0.00 C ATOM 165 CD2 TYR A 11 2.046 -22.602 3.984 1.00 0.00 C ATOM 166 CE1 TYR A 11 2.300 -21.035 6.290 1.00 0.00 C ATOM 167 CE2 TYR A 11 3.135 -22.792 4.843 1.00 0.00 C ATOM 168 CZ TYR A 11 3.262 -22.009 5.997 1.00 0.00 C ATOM 169 OH TYR A 11 4.336 -22.197 6.843 1.00 0.00 O ATOM 0 H TYR A 11 -0.802 -23.985 3.151 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.519 -21.731 4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.134 -21.834 2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.280 -20.359 3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.470 -20.094 5.657 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.948 -23.207 3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.398 -20.430 7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.877 -23.543 4.616 1.00 0.00 H new ATOM 0 HH TYR A 11 4.907 -22.912 6.493 1.00 0.00 H new ATOM 179 N ASP A 12 -3.406 -20.923 3.562 1.00 0.00 N ATOM 180 CA ASP A 12 -4.604 -20.529 2.826 1.00 0.00 C ATOM 181 C ASP A 12 -4.722 -19.008 2.790 1.00 0.00 C ATOM 182 O ASP A 12 -5.702 -18.462 2.284 1.00 0.00 O ATOM 183 CB ASP A 12 -5.847 -21.121 3.493 1.00 0.00 C ATOM 184 CG ASP A 12 -5.826 -22.641 3.379 1.00 0.00 C ATOM 185 OD1 ASP A 12 -5.007 -23.148 2.630 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.629 -23.276 4.042 1.00 0.00 O ATOM 0 H ASP A 12 -3.303 -20.473 4.472 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.527 -20.907 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.882 -20.827 4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.746 -20.725 3.021 1.00 0.00 H new ATOM 191 N TYR A 13 -3.713 -18.335 3.331 1.00 0.00 N ATOM 192 CA TYR A 13 -3.702 -16.878 3.362 1.00 0.00 C ATOM 193 C TYR A 13 -3.283 -16.321 2.005 1.00 0.00 C ATOM 194 O TYR A 13 -2.691 -15.247 1.924 1.00 0.00 O ATOM 195 CB TYR A 13 -2.726 -16.389 4.437 1.00 0.00 C ATOM 196 CG TYR A 13 -3.244 -16.766 5.808 1.00 0.00 C ATOM 197 CD1 TYR A 13 -3.260 -18.109 6.205 1.00 0.00 C ATOM 198 CD2 TYR A 13 -3.707 -15.773 6.681 1.00 0.00 C ATOM 199 CE1 TYR A 13 -3.740 -18.458 7.473 1.00 0.00 C ATOM 200 CE2 TYR A 13 -4.186 -16.124 7.949 1.00 0.00 C ATOM 201 CZ TYR A 13 -4.202 -17.467 8.345 1.00 0.00 C ATOM 202 OH TYR A 13 -4.676 -17.814 9.593 1.00 0.00 O ATOM 0 H TYR A 13 -2.894 -18.774 3.753 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.707 -16.527 3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.742 -16.830 4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.606 -15.308 4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.902 -18.875 5.533 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.694 -14.737 6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.754 -19.494 7.778 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.543 -15.359 8.622 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.957 -17.007 10.072 1.00 0.00 H new ATOM 212 N GLN A 14 -3.582 -17.066 0.946 1.00 0.00 N ATOM 213 CA GLN A 14 -3.216 -16.650 -0.405 1.00 0.00 C ATOM 214 C GLN A 14 -3.676 -15.223 -0.697 1.00 0.00 C ATOM 215 O GLN A 14 -2.892 -14.396 -1.161 1.00 0.00 O ATOM 216 CB GLN A 14 -3.844 -17.598 -1.429 1.00 0.00 C ATOM 217 CG GLN A 14 -3.305 -19.015 -1.218 1.00 0.00 C ATOM 218 CD GLN A 14 -4.017 -19.988 -2.152 1.00 0.00 C ATOM 219 OE1 GLN A 14 -5.122 -19.708 -2.617 1.00 0.00 O ATOM 220 NE2 GLN A 14 -3.446 -21.121 -2.458 1.00 0.00 N ATOM 0 H GLN A 14 -4.075 -17.958 0.995 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.129 -16.684 -0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.929 -17.592 -1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.617 -17.259 -2.440 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.232 -19.037 -1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.453 -19.319 -0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.530 -21.351 -2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.915 -21.776 -3.083 1.00 0.00 H new ATOM 229 N SER A 15 -4.949 -14.941 -0.437 1.00 0.00 N ATOM 230 CA SER A 15 -5.490 -13.609 -0.694 1.00 0.00 C ATOM 231 C SER A 15 -5.200 -12.654 0.462 1.00 0.00 C ATOM 232 O SER A 15 -5.009 -11.455 0.253 1.00 0.00 O ATOM 233 CB SER A 15 -6.999 -13.697 -0.916 1.00 0.00 C ATOM 234 OG SER A 15 -7.502 -12.406 -1.235 1.00 0.00 O ATOM 0 H SER A 15 -5.619 -15.607 -0.053 1.00 0.00 H new ATOM 0 HA SER A 15 -5.005 -13.218 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.219 -14.396 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.488 -14.080 -0.020 1.00 0.00 H new ATOM 0 HG SER A 15 -8.470 -12.459 -1.380 1.00 0.00 H new ATOM 240 N LEU A 16 -5.179 -13.184 1.679 1.00 0.00 N ATOM 241 CA LEU A 16 -4.925 -12.359 2.857 1.00 0.00 C ATOM 242 C LEU A 16 -3.433 -12.086 3.029 1.00 0.00 C ATOM 243 O LEU A 16 -3.030 -11.361 3.938 1.00 0.00 O ATOM 244 CB LEU A 16 -5.462 -13.057 4.111 1.00 0.00 C ATOM 245 CG LEU A 16 -5.842 -12.010 5.160 1.00 0.00 C ATOM 246 CD1 LEU A 16 -7.280 -11.546 4.924 1.00 0.00 C ATOM 247 CD2 LEU A 16 -5.732 -12.625 6.557 1.00 0.00 C ATOM 0 H LEU A 16 -5.333 -14.173 1.877 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.437 -11.407 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.331 -13.664 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.708 -13.733 4.514 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.167 -11.158 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.549 -10.800 5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.362 -11.108 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.955 -12.398 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.003 -11.880 7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.407 -13.477 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.708 -12.956 6.729 1.00 0.00 H new ATOM 259 N GLN A 17 -2.616 -12.676 2.163 1.00 0.00 N ATOM 260 CA GLN A 17 -1.169 -12.490 2.247 1.00 0.00 C ATOM 261 C GLN A 17 -0.760 -11.090 1.788 1.00 0.00 C ATOM 262 O GLN A 17 0.009 -10.409 2.465 1.00 0.00 O ATOM 263 CB GLN A 17 -0.452 -13.540 1.388 1.00 0.00 C ATOM 264 CG GLN A 17 0.116 -14.647 2.285 1.00 0.00 C ATOM 265 CD GLN A 17 1.363 -14.144 3.005 1.00 0.00 C ATOM 266 OE1 GLN A 17 2.194 -13.463 2.405 1.00 0.00 O ATOM 267 NE2 GLN A 17 1.546 -14.444 4.263 1.00 0.00 N ATOM 0 H GLN A 17 -2.925 -13.281 1.402 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.878 -12.608 3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.146 -13.967 0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.352 -13.071 0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.634 -14.958 3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.361 -15.523 1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.856 -15.009 4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.379 -14.114 4.750 1.00 0.00 H new ATOM 276 N ILE A 18 -1.265 -10.674 0.633 1.00 0.00 N ATOM 277 CA ILE A 18 -0.929 -9.358 0.092 1.00 0.00 C ATOM 278 C ILE A 18 -1.982 -8.316 0.474 1.00 0.00 C ATOM 279 O ILE A 18 -1.748 -7.113 0.357 1.00 0.00 O ATOM 280 CB ILE A 18 -0.821 -9.450 -1.437 1.00 0.00 C ATOM 281 CG1 ILE A 18 -0.003 -10.687 -1.825 1.00 0.00 C ATOM 282 CG2 ILE A 18 -0.138 -8.200 -1.999 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.317 -10.713 -1.049 1.00 0.00 C ATOM 0 H ILE A 18 -1.903 -11.221 0.056 1.00 0.00 H new ATOM 0 HA ILE A 18 0.025 -9.044 0.515 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.826 -9.527 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.575 -11.591 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.197 -10.678 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.069 -8.280 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.722 -7.318 -1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.863 -8.112 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.889 -11.596 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.893 -9.817 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.110 -10.744 0.021 1.00 0.00 H new ATOM 295 N GLY A 19 -3.140 -8.780 0.925 1.00 0.00 N ATOM 296 CA GLY A 19 -4.218 -7.872 1.310 1.00 0.00 C ATOM 297 C GLY A 19 -3.716 -6.738 2.203 1.00 0.00 C ATOM 298 O GLY A 19 -3.302 -5.687 1.716 1.00 0.00 O ATOM 0 H GLY A 19 -3.358 -9.770 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.677 -7.453 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.994 -8.431 1.834 1.00 0.00 H new ATOM 302 N GLY A 20 -3.775 -6.963 3.512 1.00 0.00 N ATOM 303 CA GLY A 20 -3.348 -5.964 4.491 1.00 0.00 C ATOM 304 C GLY A 20 -2.150 -5.148 4.007 1.00 0.00 C ATOM 305 O GLY A 20 -2.012 -3.974 4.350 1.00 0.00 O ATOM 0 H GLY A 20 -4.116 -7.832 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.179 -5.292 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.091 -6.462 5.426 1.00 0.00 H new ATOM 309 N LEU A 21 -1.281 -5.775 3.226 1.00 0.00 N ATOM 310 CA LEU A 21 -0.092 -5.091 2.722 1.00 0.00 C ATOM 311 C LEU A 21 -0.444 -4.010 1.700 1.00 0.00 C ATOM 312 O LEU A 21 0.016 -2.871 1.808 1.00 0.00 O ATOM 313 CB LEU A 21 0.851 -6.108 2.074 1.00 0.00 C ATOM 314 CG LEU A 21 1.872 -6.590 3.105 1.00 0.00 C ATOM 315 CD1 LEU A 21 1.140 -7.191 4.304 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.775 -7.654 2.473 1.00 0.00 C ATOM 0 H LEU A 21 -1.373 -6.746 2.928 1.00 0.00 H new ATOM 0 HA LEU A 21 0.394 -4.608 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.281 -6.954 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.363 -5.655 1.225 1.00 0.00 H new ATOM 0 HG LEU A 21 2.480 -5.747 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.867 -7.535 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.498 -6.434 4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.532 -8.033 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.503 -7.997 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.168 -8.497 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.298 -7.226 1.618 1.00 0.00 H new ATOM 328 N VAL A 22 -1.238 -4.372 0.697 1.00 0.00 N ATOM 329 CA VAL A 22 -1.607 -3.419 -0.346 1.00 0.00 C ATOM 330 C VAL A 22 -2.467 -2.280 0.198 1.00 0.00 C ATOM 331 O VAL A 22 -2.177 -1.110 -0.050 1.00 0.00 O ATOM 332 CB VAL A 22 -2.372 -4.137 -1.459 1.00 0.00 C ATOM 333 CG1 VAL A 22 -3.124 -3.107 -2.306 1.00 0.00 C ATOM 334 CG2 VAL A 22 -1.387 -4.899 -2.346 1.00 0.00 C ATOM 0 H VAL A 22 -1.634 -5.305 0.584 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.684 -2.990 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.082 -4.837 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.670 -3.617 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.826 -2.561 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.412 -2.409 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.932 -5.411 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.677 -4.199 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.848 -5.632 -1.745 1.00 0.00 H new ATOM 344 N ILE A 23 -3.523 -2.619 0.932 1.00 0.00 N ATOM 345 CA ILE A 23 -4.411 -1.595 1.483 1.00 0.00 C ATOM 346 C ILE A 23 -3.632 -0.627 2.366 1.00 0.00 C ATOM 347 O ILE A 23 -3.797 0.590 2.265 1.00 0.00 O ATOM 348 CB ILE A 23 -5.535 -2.244 2.297 1.00 0.00 C ATOM 349 CG1 ILE A 23 -6.514 -1.165 2.779 1.00 0.00 C ATOM 350 CG2 ILE A 23 -4.938 -2.958 3.507 1.00 0.00 C ATOM 351 CD1 ILE A 23 -7.846 -1.817 3.165 1.00 0.00 C ATOM 0 H ILE A 23 -3.784 -3.579 1.158 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.847 -1.041 0.651 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.065 -2.961 1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.095 -0.635 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.673 -0.426 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.737 -3.420 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.243 -3.727 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.408 -2.237 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.541 -1.050 3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.266 -2.327 2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.680 -2.539 3.965 1.00 0.00 H new ATOM 363 N ALA A 24 -2.776 -1.170 3.227 1.00 0.00 N ATOM 364 CA ALA A 24 -1.977 -0.332 4.109 1.00 0.00 C ATOM 365 C ALA A 24 -1.147 0.646 3.286 1.00 0.00 C ATOM 366 O ALA A 24 -0.938 1.793 3.684 1.00 0.00 O ATOM 367 CB ALA A 24 -1.049 -1.199 4.966 1.00 0.00 C ATOM 0 H ALA A 24 -2.620 -2.173 3.331 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.648 0.225 4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.457 -0.560 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.645 -1.884 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.384 -1.770 4.318 1.00 0.00 H new ATOM 373 N GLY A 25 -0.675 0.179 2.133 1.00 0.00 N ATOM 374 CA GLY A 25 0.136 1.012 1.251 1.00 0.00 C ATOM 375 C GLY A 25 -0.645 2.224 0.747 1.00 0.00 C ATOM 376 O GLY A 25 -0.116 3.333 0.702 1.00 0.00 O ATOM 0 H GLY A 25 -0.839 -0.767 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.026 1.348 1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.477 0.419 0.402 1.00 0.00 H new ATOM 380 N ILE A 26 -1.899 2.012 0.357 1.00 0.00 N ATOM 381 CA ILE A 26 -2.717 3.111 -0.155 1.00 0.00 C ATOM 382 C ILE A 26 -2.930 4.185 0.912 1.00 0.00 C ATOM 383 O ILE A 26 -2.865 5.376 0.617 1.00 0.00 O ATOM 384 CB ILE A 26 -4.086 2.596 -0.625 1.00 0.00 C ATOM 385 CG1 ILE A 26 -3.923 1.348 -1.506 1.00 0.00 C ATOM 386 CG2 ILE A 26 -4.795 3.688 -1.430 1.00 0.00 C ATOM 387 CD1 ILE A 26 -2.832 1.574 -2.555 1.00 0.00 C ATOM 0 H ILE A 26 -2.366 1.106 0.384 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.182 3.548 -0.998 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.677 2.335 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.668 0.488 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.868 1.117 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.766 3.322 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.935 4.569 -0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.190 3.952 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.729 0.681 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.104 2.420 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.885 1.782 -2.056 1.00 0.00 H new ATOM 399 N LEU A 27 -3.208 3.765 2.142 1.00 0.00 N ATOM 400 CA LEU A 27 -3.454 4.723 3.220 1.00 0.00 C ATOM 401 C LEU A 27 -2.239 5.627 3.458 1.00 0.00 C ATOM 402 O LEU A 27 -2.375 6.846 3.544 1.00 0.00 O ATOM 403 CB LEU A 27 -3.790 3.962 4.507 1.00 0.00 C ATOM 404 CG LEU A 27 -4.291 4.938 5.581 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.640 5.549 5.175 1.00 0.00 C ATOM 406 CD2 LEU A 27 -4.453 4.187 6.905 1.00 0.00 C ATOM 0 H LEU A 27 -3.269 2.785 2.417 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.291 5.357 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.552 3.209 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.907 3.434 4.868 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.564 5.743 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.976 6.237 5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.527 6.089 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.376 4.755 5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.809 4.875 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.174 3.379 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.492 3.771 7.208 1.00 0.00 H new ATOM 418 N PHE A 28 -1.058 5.024 3.558 1.00 0.00 N ATOM 419 CA PHE A 28 0.176 5.776 3.778 1.00 0.00 C ATOM 420 C PHE A 28 0.577 6.553 2.522 1.00 0.00 C ATOM 421 O PHE A 28 1.081 7.668 2.613 1.00 0.00 O ATOM 422 CB PHE A 28 1.307 4.827 4.186 1.00 0.00 C ATOM 423 CG PHE A 28 1.185 4.500 5.659 1.00 0.00 C ATOM 424 CD1 PHE A 28 0.109 3.726 6.114 1.00 0.00 C ATOM 425 CD2 PHE A 28 2.141 4.969 6.569 1.00 0.00 C ATOM 426 CE1 PHE A 28 -0.010 3.423 7.476 1.00 0.00 C ATOM 427 CE2 PHE A 28 2.021 4.664 7.932 1.00 0.00 C ATOM 428 CZ PHE A 28 0.945 3.891 8.385 1.00 0.00 C ATOM 0 H PHE A 28 -0.928 4.015 3.490 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.002 6.490 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.260 3.913 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.274 5.288 3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.629 3.363 5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.971 5.566 6.220 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.840 2.827 7.825 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.759 5.025 8.633 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.852 3.656 9.435 1.00 0.00 H new ATOM 438 N ILE A 29 0.346 5.957 1.354 1.00 0.00 N ATOM 439 CA ILE A 29 0.684 6.614 0.089 1.00 0.00 C ATOM 440 C ILE A 29 -0.188 7.843 -0.086 1.00 0.00 C ATOM 441 O ILE A 29 0.297 8.933 -0.389 1.00 0.00 O ATOM 442 CB ILE A 29 0.472 5.664 -1.090 1.00 0.00 C ATOM 443 CG1 ILE A 29 1.654 4.691 -1.182 1.00 0.00 C ATOM 444 CG2 ILE A 29 0.377 6.480 -2.382 1.00 0.00 C ATOM 445 CD1 ILE A 29 1.321 3.570 -2.169 1.00 0.00 C ATOM 0 H ILE A 29 -0.069 5.031 1.255 1.00 0.00 H new ATOM 0 HA ILE A 29 1.735 6.903 0.115 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.449 5.099 -0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.550 5.221 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.870 4.272 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.226 5.808 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.462 7.172 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.300 7.042 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.162 2.880 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.437 3.033 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.127 3.997 -3.153 1.00 0.00 H new ATOM 457 N LEU A 30 -1.472 7.662 0.175 1.00 0.00 N ATOM 458 CA LEU A 30 -2.415 8.745 0.124 1.00 0.00 C ATOM 459 C LEU A 30 -1.992 9.682 1.213 1.00 0.00 C ATOM 460 O LEU A 30 -2.109 10.897 1.110 1.00 0.00 O ATOM 461 CB LEU A 30 -3.835 8.226 0.376 1.00 0.00 C ATOM 462 CG LEU A 30 -4.866 9.251 -0.098 1.00 0.00 C ATOM 463 CD1 LEU A 30 -5.180 9.010 -1.575 1.00 0.00 C ATOM 464 CD2 LEU A 30 -6.149 9.096 0.726 1.00 0.00 C ATOM 0 H LEU A 30 -1.880 6.761 0.426 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.428 9.235 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.983 7.282 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.973 8.026 1.438 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.467 10.257 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.915 9.740 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.268 9.113 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.582 8.005 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.887 9.825 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.547 8.090 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.927 9.263 1.780 1.00 0.00 H new ATOM 476 N GLY A 31 -1.491 9.060 2.274 1.00 0.00 N ATOM 477 CA GLY A 31 -1.025 9.805 3.439 1.00 0.00 C ATOM 478 C GLY A 31 0.079 10.799 3.066 1.00 0.00 C ATOM 479 O GLY A 31 -0.003 11.981 3.402 1.00 0.00 O ATOM 0 H GLY A 31 -1.397 8.047 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.862 10.341 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.651 9.110 4.191 1.00 0.00 H new ATOM 483 N ILE A 32 1.114 10.313 2.380 1.00 0.00 N ATOM 484 CA ILE A 32 2.231 11.168 1.981 1.00 0.00 C ATOM 485 C ILE A 32 1.791 12.202 0.956 1.00 0.00 C ATOM 486 O ILE A 32 2.136 13.378 1.061 1.00 0.00 O ATOM 487 CB ILE A 32 3.345 10.317 1.374 1.00 0.00 C ATOM 488 CG1 ILE A 32 3.889 9.356 2.431 1.00 0.00 C ATOM 489 CG2 ILE A 32 4.472 11.226 0.884 1.00 0.00 C ATOM 490 CD1 ILE A 32 4.710 8.262 1.748 1.00 0.00 C ATOM 0 H ILE A 32 1.202 9.339 2.091 1.00 0.00 H new ATOM 0 HA ILE A 32 2.592 11.683 2.871 1.00 0.00 H new ATOM 0 HB ILE A 32 2.948 9.746 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.508 9.897 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.067 8.912 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.267 10.619 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.085 11.910 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.869 11.798 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.099 7.576 2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.077 7.714 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.540 8.715 1.206 1.00 0.00 H new ATOM 502 N LEU A 33 1.024 11.759 -0.032 1.00 0.00 N ATOM 503 CA LEU A 33 0.544 12.664 -1.064 1.00 0.00 C ATOM 504 C LEU A 33 -0.306 13.755 -0.431 1.00 0.00 C ATOM 505 O LEU A 33 -0.149 14.938 -0.729 1.00 0.00 O ATOM 506 CB LEU A 33 -0.282 11.891 -2.094 1.00 0.00 C ATOM 507 CG LEU A 33 0.595 11.547 -3.299 1.00 0.00 C ATOM 508 CD1 LEU A 33 1.803 10.729 -2.838 1.00 0.00 C ATOM 509 CD2 LEU A 33 -0.219 10.729 -4.303 1.00 0.00 C ATOM 0 H LEU A 33 0.725 10.790 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 33 1.397 13.120 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.678 10.979 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.137 12.488 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 33 0.939 12.467 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.427 10.485 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.384 11.310 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.460 9.809 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.405 10.483 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.563 9.810 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.079 11.311 -4.634 1.00 0.00 H new ATOM 521 N ILE A 34 -1.204 13.338 0.449 1.00 0.00 N ATOM 522 CA ILE A 34 -2.090 14.278 1.135 1.00 0.00 C ATOM 523 C ILE A 34 -1.298 15.291 1.963 1.00 0.00 C ATOM 524 O ILE A 34 -1.597 16.484 1.938 1.00 0.00 O ATOM 525 CB ILE A 34 -3.052 13.521 2.054 1.00 0.00 C ATOM 526 CG1 ILE A 34 -4.203 12.949 1.226 1.00 0.00 C ATOM 527 CG2 ILE A 34 -3.613 14.473 3.110 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.968 11.920 2.059 1.00 0.00 C ATOM 0 H ILE A 34 -1.341 12.361 0.707 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.652 14.817 0.372 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.516 12.710 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.873 13.750 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.817 12.484 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.297 13.930 3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.795 14.882 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.148 15.286 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.789 11.512 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.294 11.114 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.367 12.400 2.953 1.00 0.00 H new ATOM 540 N VAL A 35 -0.299 14.819 2.706 1.00 0.00 N ATOM 541 CA VAL A 35 0.499 15.717 3.537 1.00 0.00 C ATOM 542 C VAL A 35 1.126 16.819 2.689 1.00 0.00 C ATOM 543 O VAL A 35 0.997 18.002 3.000 1.00 0.00 O ATOM 544 CB VAL A 35 1.603 14.941 4.261 1.00 0.00 C ATOM 545 CG1 VAL A 35 2.541 15.926 4.964 1.00 0.00 C ATOM 546 CG2 VAL A 35 0.976 14.011 5.301 1.00 0.00 C ATOM 0 H VAL A 35 -0.026 13.837 2.750 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.164 16.169 4.275 1.00 0.00 H new ATOM 0 HB VAL A 35 2.166 14.352 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.327 15.375 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.989 16.592 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.976 16.514 5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.762 13.459 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.413 14.601 6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.305 13.310 4.805 1.00 0.00 H new ATOM 556 N LEU A 36 1.800 16.422 1.616 1.00 0.00 N ATOM 557 CA LEU A 36 2.440 17.388 0.731 1.00 0.00 C ATOM 558 C LEU A 36 1.394 18.247 0.022 1.00 0.00 C ATOM 559 O LEU A 36 1.623 19.427 -0.243 1.00 0.00 O ATOM 560 CB LEU A 36 3.295 16.658 -0.307 1.00 0.00 C ATOM 561 CG LEU A 36 4.450 15.942 0.400 1.00 0.00 C ATOM 562 CD1 LEU A 36 4.816 14.671 -0.370 1.00 0.00 C ATOM 563 CD2 LEU A 36 5.666 16.868 0.454 1.00 0.00 C ATOM 0 H LEU A 36 1.917 15.447 1.339 1.00 0.00 H new ATOM 0 HA LEU A 36 3.075 18.037 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.687 15.938 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.684 17.367 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 36 4.145 15.678 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.638 14.164 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.951 14.009 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.120 14.934 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.489 16.359 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.968 17.132 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.409 17.774 1.003 1.00 0.00 H new ATOM 575 N SER A 37 0.248 17.644 -0.286 1.00 0.00 N ATOM 576 CA SER A 37 -0.826 18.359 -0.972 1.00 0.00 C ATOM 577 C SER A 37 -1.337 19.529 -0.132 1.00 0.00 C ATOM 578 O SER A 37 -1.700 20.575 -0.670 1.00 0.00 O ATOM 579 CB SER A 37 -1.985 17.408 -1.268 1.00 0.00 C ATOM 580 OG SER A 37 -1.518 16.329 -2.068 1.00 0.00 O ATOM 0 H SER A 37 0.040 16.668 -0.073 1.00 0.00 H new ATOM 0 HA SER A 37 -0.421 18.750 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.406 17.029 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.783 17.940 -1.785 1.00 0.00 H new ATOM 0 HG SER A 37 -1.014 15.702 -1.509 1.00 0.00 H new ATOM 586 N ARG A 38 -1.372 19.346 1.183 1.00 0.00 N ATOM 587 CA ARG A 38 -1.852 20.397 2.075 1.00 0.00 C ATOM 588 C ARG A 38 -1.034 21.672 1.899 1.00 0.00 C ATOM 589 O ARG A 38 -1.567 22.778 1.984 1.00 0.00 O ATOM 590 CB ARG A 38 -1.772 19.928 3.532 1.00 0.00 C ATOM 591 CG ARG A 38 -2.885 18.907 3.818 1.00 0.00 C ATOM 592 CD ARG A 38 -4.270 19.574 3.783 1.00 0.00 C ATOM 593 NE ARG A 38 -5.079 19.108 4.903 1.00 0.00 N ATOM 594 CZ ARG A 38 -5.790 17.987 4.822 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.769 17.275 3.728 1.00 0.00 N ATOM 596 NH2 ARG A 38 -6.509 17.600 5.840 1.00 0.00 N ATOM 0 H ARG A 38 -1.077 18.490 1.652 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.890 20.612 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.797 19.480 3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.869 20.781 4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.845 18.105 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.722 18.451 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.162 20.658 3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.770 19.343 2.842 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.100 19.652 5.765 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.206 17.578 2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.315 16.416 3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.525 18.157 6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.055 16.741 5.781 1.00 0.00 H new ATOM 610 N ARG A 39 0.260 21.512 1.650 1.00 0.00 N ATOM 611 CA ARG A 39 1.133 22.664 1.461 1.00 0.00 C ATOM 612 C ARG A 39 0.689 23.480 0.250 1.00 0.00 C ATOM 613 O ARG A 39 0.925 24.686 0.183 1.00 0.00 O ATOM 614 CB ARG A 39 2.576 22.201 1.256 1.00 0.00 C ATOM 615 CG ARG A 39 3.112 21.593 2.553 1.00 0.00 C ATOM 616 CD ARG A 39 4.591 21.245 2.377 1.00 0.00 C ATOM 617 NE ARG A 39 5.379 22.461 2.215 1.00 0.00 N ATOM 618 CZ ARG A 39 6.686 22.407 1.981 1.00 0.00 C ATOM 619 NH1 ARG A 39 7.285 21.250 1.893 1.00 0.00 N ATOM 620 NH2 ARG A 39 7.371 23.509 1.842 1.00 0.00 N ATOM 0 H ARG A 39 0.724 20.607 1.575 1.00 0.00 H new ATOM 0 HA ARG A 39 1.073 23.288 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.621 21.466 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.199 23.043 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.988 22.297 3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.545 20.699 2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.946 20.686 3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.719 20.601 1.507 1.00 0.00 H new ATOM 0 HE ARG A 39 4.919 23.369 2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.750 20.389 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.288 21.207 1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.903 24.413 1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.374 23.467 1.662 1.00 0.00 H new ATOM 634 N CYS A 40 0.055 22.813 -0.711 1.00 0.00 N ATOM 635 CA CYS A 40 -0.405 23.486 -1.919 1.00 0.00 C ATOM 636 C CYS A 40 -1.436 24.562 -1.588 1.00 0.00 C ATOM 637 O CYS A 40 -1.381 25.666 -2.125 1.00 0.00 O ATOM 638 CB CYS A 40 -1.002 22.467 -2.898 1.00 0.00 C ATOM 639 SG CYS A 40 -2.767 22.241 -2.562 1.00 0.00 S ATOM 0 H CYS A 40 -0.150 21.814 -0.676 1.00 0.00 H new ATOM 0 HA CYS A 40 0.453 23.969 -2.386 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.860 22.810 -3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.481 21.514 -2.805 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.917 21.417 -1.568 1.00 0.00 H new ATOM 645 N ARG A 41 -2.376 24.234 -0.706 1.00 0.00 N ATOM 646 CA ARG A 41 -3.416 25.185 -0.325 1.00 0.00 C ATOM 647 C ARG A 41 -2.802 26.457 0.246 1.00 0.00 C ATOM 648 O ARG A 41 -3.214 27.565 -0.098 1.00 0.00 O ATOM 649 CB ARG A 41 -4.343 24.553 0.717 1.00 0.00 C ATOM 650 CG ARG A 41 -5.560 25.457 0.940 1.00 0.00 C ATOM 651 CD ARG A 41 -6.410 24.891 2.074 1.00 0.00 C ATOM 652 NE ARG A 41 -7.096 23.684 1.631 1.00 0.00 N ATOM 653 CZ ARG A 41 -7.864 22.987 2.461 1.00 0.00 C ATOM 654 NH1 ARG A 41 -8.010 23.381 3.697 1.00 0.00 N ATOM 655 NH2 ARG A 41 -8.470 21.912 2.039 1.00 0.00 N ATOM 0 H ARG A 41 -2.439 23.326 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.988 25.442 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.666 23.568 0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.807 24.410 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.236 26.469 1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.150 25.523 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.779 24.665 2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.138 25.634 2.399 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.985 23.369 0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.535 24.222 4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.599 22.847 4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.354 21.607 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.060 21.376 2.675 1.00 0.00 H new ATOM 669 N CYS A 42 -1.821 26.290 1.122 1.00 0.00 N ATOM 670 CA CYS A 42 -1.163 27.432 1.737 1.00 0.00 C ATOM 671 C CYS A 42 -0.239 28.128 0.739 1.00 0.00 C ATOM 672 O CYS A 42 -0.085 29.348 0.771 1.00 0.00 O ATOM 673 CB CYS A 42 -0.357 26.972 2.957 1.00 0.00 C ATOM 674 SG CYS A 42 -1.456 26.840 4.393 1.00 0.00 S ATOM 0 H CYS A 42 -1.466 25.382 1.421 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.927 28.142 2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.112 26.009 2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.446 27.680 3.164 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.773 26.448 5.427 1.00 0.00 H new ATOM 680 N LYS A 43 0.378 27.342 -0.139 1.00 0.00 N ATOM 681 CA LYS A 43 1.295 27.895 -1.134 1.00 0.00 C ATOM 682 C LYS A 43 0.545 28.540 -2.299 1.00 0.00 C ATOM 683 O LYS A 43 1.054 29.469 -2.928 1.00 0.00 O ATOM 684 CB LYS A 43 2.209 26.793 -1.675 1.00 0.00 C ATOM 685 CG LYS A 43 3.285 26.456 -0.641 1.00 0.00 C ATOM 686 CD LYS A 43 4.209 25.375 -1.205 1.00 0.00 C ATOM 687 CE LYS A 43 5.411 25.193 -0.278 1.00 0.00 C ATOM 688 NZ LYS A 43 6.639 25.694 -0.955 1.00 0.00 N ATOM 0 H LYS A 43 0.262 26.330 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 43 1.888 28.664 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.623 25.903 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.675 27.119 -2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.860 27.349 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.822 26.109 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.667 24.434 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.546 25.655 -2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.250 25.734 0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.529 24.141 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.457 25.571 -0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.794 25.159 -1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.524 26.703 -1.180 1.00 0.00 H new ATOM 702 N PHE A 44 -0.654 28.044 -2.597 1.00 0.00 N ATOM 703 CA PHE A 44 -1.431 28.592 -3.707 1.00 0.00 C ATOM 704 C PHE A 44 -1.847 30.030 -3.426 1.00 0.00 C ATOM 705 O PHE A 44 -1.702 30.901 -4.283 1.00 0.00 O ATOM 706 CB PHE A 44 -2.686 27.745 -3.956 1.00 0.00 C ATOM 707 CG PHE A 44 -2.461 26.797 -5.117 1.00 0.00 C ATOM 708 CD1 PHE A 44 -2.191 27.303 -6.397 1.00 0.00 C ATOM 709 CD2 PHE A 44 -2.534 25.410 -4.919 1.00 0.00 C ATOM 710 CE1 PHE A 44 -1.993 26.428 -7.470 1.00 0.00 C ATOM 711 CE2 PHE A 44 -2.336 24.537 -5.995 1.00 0.00 C ATOM 712 CZ PHE A 44 -2.067 25.046 -7.270 1.00 0.00 C ATOM 0 H PHE A 44 -1.103 27.277 -2.096 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.797 28.573 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.934 27.179 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.535 28.395 -4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.136 28.370 -6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.743 25.016 -3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.783 26.820 -8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.391 23.469 -5.841 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.916 24.372 -8.100 1.00 0.00 H new ATOM 722 N ASN A 45 -2.367 30.278 -2.230 1.00 0.00 N ATOM 723 CA ASN A 45 -2.799 31.624 -1.868 1.00 0.00 C ATOM 724 C ASN A 45 -1.642 32.420 -1.276 1.00 0.00 C ATOM 725 O ASN A 45 -1.199 32.150 -0.160 1.00 0.00 O ATOM 726 CB ASN A 45 -3.941 31.560 -0.850 1.00 0.00 C ATOM 727 CG ASN A 45 -5.239 31.160 -1.539 1.00 0.00 C ATOM 728 OD1 ASN A 45 -5.655 31.802 -2.504 1.00 0.00 O ATOM 729 ND2 ASN A 45 -5.913 30.132 -1.098 1.00 0.00 N ATOM 0 H ASN A 45 -2.499 29.576 -1.502 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.147 32.121 -2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.700 30.841 -0.067 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.061 32.529 -0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.785 29.860 -1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.568 29.601 -0.299 1.00 0.00 H new ATOM 736 N GLN A 46 -1.159 33.404 -2.027 1.00 0.00 N ATOM 737 CA GLN A 46 -0.057 34.231 -1.554 1.00 0.00 C ATOM 738 C GLN A 46 -0.513 35.100 -0.386 1.00 0.00 C ATOM 739 O GLN A 46 0.253 35.364 0.542 1.00 0.00 O ATOM 740 CB GLN A 46 0.467 35.117 -2.691 1.00 0.00 C ATOM 741 CG GLN A 46 -0.670 35.982 -3.244 1.00 0.00 C ATOM 742 CD GLN A 46 -0.172 36.805 -4.429 1.00 0.00 C ATOM 743 OE1 GLN A 46 0.881 37.438 -4.348 1.00 0.00 O ATOM 744 NE2 GLN A 46 -0.869 36.833 -5.533 1.00 0.00 N ATOM 0 H GLN A 46 -1.508 33.646 -2.954 1.00 0.00 H new ATOM 0 HA GLN A 46 0.747 33.578 -1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.274 35.752 -2.326 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.883 34.497 -3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.501 35.349 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.047 36.644 -2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.741 36.308 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.541 37.380 -6.329 1.00 0.00 H new ATOM 753 N GLN A 47 -1.767 35.540 -0.436 1.00 0.00 N ATOM 754 CA GLN A 47 -2.318 36.377 0.626 1.00 0.00 C ATOM 755 C GLN A 47 -2.274 35.639 1.961 1.00 0.00 C ATOM 756 O GLN A 47 -2.039 36.244 3.008 1.00 0.00 O ATOM 757 CB GLN A 47 -3.763 36.764 0.297 1.00 0.00 C ATOM 758 CG GLN A 47 -3.785 37.594 -0.989 1.00 0.00 C ATOM 759 CD GLN A 47 -5.223 37.918 -1.381 1.00 0.00 C ATOM 760 OE1 GLN A 47 -6.047 37.015 -1.527 1.00 0.00 O ATOM 761 NE2 GLN A 47 -5.574 39.161 -1.562 1.00 0.00 N ATOM 0 H GLN A 47 -2.417 35.333 -1.194 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.714 37.281 0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.373 35.869 0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.195 37.335 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.223 38.517 -0.845 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.296 37.045 -1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.889 39.907 -1.440 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.533 39.387 -1.825 1.00 0.00 H new ATOM 770 N GLN A 48 -2.496 34.330 1.917 1.00 0.00 N ATOM 771 CA GLN A 48 -2.474 33.518 3.130 1.00 0.00 C ATOM 772 C GLN A 48 -1.086 33.539 3.762 1.00 0.00 C ATOM 773 O GLN A 48 -0.950 33.676 4.978 1.00 0.00 O ATOM 774 CB GLN A 48 -2.864 32.075 2.799 1.00 0.00 C ATOM 775 CG GLN A 48 -3.143 31.309 4.095 1.00 0.00 C ATOM 776 CD GLN A 48 -4.482 31.744 4.679 1.00 0.00 C ATOM 777 OE1 GLN A 48 -5.467 31.870 3.951 1.00 0.00 O ATOM 778 NE2 GLN A 48 -4.579 31.983 5.958 1.00 0.00 N ATOM 0 H GLN A 48 -2.692 33.811 1.061 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.190 33.935 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.747 32.064 2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.062 31.589 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.154 30.237 3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.346 31.493 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.762 31.878 6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.472 32.275 6.356 1.00 0.00 H new ATOM 787 N ARG A 49 -0.060 33.403 2.930 1.00 0.00 N ATOM 788 CA ARG A 49 1.314 33.407 3.417 1.00 0.00 C ATOM 789 C ARG A 49 2.230 34.108 2.419 1.00 0.00 C ATOM 790 O ARG A 49 2.060 33.973 1.207 1.00 0.00 O ATOM 791 CB ARG A 49 1.796 31.971 3.635 1.00 0.00 C ATOM 792 CG ARG A 49 3.171 31.990 4.306 1.00 0.00 C ATOM 793 CD ARG A 49 3.645 30.555 4.547 1.00 0.00 C ATOM 794 NE ARG A 49 4.030 29.932 3.285 1.00 0.00 N ATOM 795 CZ ARG A 49 4.268 28.628 3.208 1.00 0.00 C ATOM 796 NH1 ARG A 49 4.153 27.879 4.270 1.00 0.00 N ATOM 797 NH2 ARG A 49 4.616 28.096 2.068 1.00 0.00 N ATOM 0 H ARG A 49 -0.152 33.289 1.921 1.00 0.00 H new ATOM 0 HA ARG A 49 1.344 33.946 4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.084 31.428 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.852 31.446 2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.887 32.519 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.118 32.530 5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.491 30.555 5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.851 29.977 5.019 1.00 0.00 H new ATOM 0 HE ARG A 49 4.118 30.508 2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.880 28.295 5.160 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.336 26.877 4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.705 28.682 1.238 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.799 27.094 2.007 1.00 0.00 H new ATOM 811 N THR A 50 3.201 34.856 2.933 1.00 0.00 N ATOM 812 CA THR A 50 4.137 35.569 2.071 1.00 0.00 C ATOM 813 C THR A 50 5.273 34.648 1.639 1.00 0.00 C ATOM 814 O THR A 50 5.834 33.915 2.454 1.00 0.00 O ATOM 815 CB THR A 50 4.710 36.781 2.809 1.00 0.00 C ATOM 816 OG1 THR A 50 3.643 37.544 3.358 1.00 0.00 O ATOM 817 CG2 THR A 50 5.507 37.647 1.832 1.00 0.00 C ATOM 0 H THR A 50 3.360 34.984 3.932 1.00 0.00 H new ATOM 0 HA THR A 50 3.601 35.907 1.184 1.00 0.00 H new ATOM 0 HB THR A 50 5.368 36.442 3.610 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.007 38.320 3.833 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.914 38.510 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.323 37.061 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.852 37.988 1.030 1.00 0.00 H new ATOM 825 N GLY A 51 5.607 34.689 0.352 1.00 0.00 N ATOM 826 CA GLY A 51 6.678 33.851 -0.177 1.00 0.00 C ATOM 827 C GLY A 51 7.133 34.348 -1.546 1.00 0.00 C ATOM 828 O GLY A 51 6.785 35.452 -1.963 1.00 0.00 O ATOM 0 H GLY A 51 5.155 35.289 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.521 33.853 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.333 32.820 -0.256 1.00 0.00 H new ATOM 832 N GLU A 52 7.915 33.524 -2.239 1.00 0.00 N ATOM 833 CA GLU A 52 8.413 33.893 -3.558 1.00 0.00 C ATOM 834 C GLU A 52 7.284 33.820 -4.592 1.00 0.00 C ATOM 835 O GLU A 52 6.296 33.114 -4.385 1.00 0.00 O ATOM 836 CB GLU A 52 9.548 32.948 -3.967 1.00 0.00 C ATOM 837 CG GLU A 52 10.897 33.609 -3.668 1.00 0.00 C ATOM 838 CD GLU A 52 12.008 32.567 -3.698 1.00 0.00 C ATOM 839 OE1 GLU A 52 12.391 32.169 -4.786 1.00 0.00 O ATOM 840 OE2 GLU A 52 12.462 32.182 -2.633 1.00 0.00 O ATOM 0 H GLU A 52 8.214 32.605 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 52 8.789 34.915 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.464 32.006 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.474 32.712 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.099 34.389 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.866 34.091 -2.691 1.00 0.00 H new ATOM 847 N PRO A 53 7.403 34.526 -5.694 1.00 0.00 N ATOM 848 CA PRO A 53 6.365 34.523 -6.758 1.00 0.00 C ATOM 849 C PRO A 53 5.763 33.136 -6.969 1.00 0.00 C ATOM 850 O PRO A 53 6.468 32.128 -6.918 1.00 0.00 O ATOM 851 CB PRO A 53 7.129 34.979 -7.998 1.00 0.00 C ATOM 852 CG PRO A 53 8.243 35.838 -7.490 1.00 0.00 C ATOM 853 CD PRO A 53 8.535 35.402 -6.052 1.00 0.00 C ATOM 0 HA PRO A 53 5.518 35.163 -6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.515 34.126 -8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.481 35.536 -8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.130 35.725 -8.113 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.962 36.891 -7.523 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.485 34.871 -5.983 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.600 36.260 -5.383 1.00 0.00 H new ATOM 861 N ASP A 54 4.456 33.094 -7.208 1.00 0.00 N ATOM 862 CA ASP A 54 3.768 31.827 -7.427 1.00 0.00 C ATOM 863 C ASP A 54 2.754 31.956 -8.562 1.00 0.00 C ATOM 864 O ASP A 54 2.382 33.063 -8.950 1.00 0.00 O ATOM 865 CB ASP A 54 3.047 31.396 -6.148 1.00 0.00 C ATOM 866 CG ASP A 54 4.063 31.014 -5.076 1.00 0.00 C ATOM 867 OD1 ASP A 54 5.208 30.785 -5.426 1.00 0.00 O ATOM 868 OD2 ASP A 54 3.680 30.956 -3.919 1.00 0.00 O ATOM 0 H ASP A 54 3.855 33.917 -7.255 1.00 0.00 H new ATOM 0 HA ASP A 54 4.510 31.076 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.414 32.207 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.393 30.550 -6.358 1.00 0.00 H new ATOM 873 N GLU A 55 2.310 30.816 -9.083 1.00 0.00 N ATOM 874 CA GLU A 55 1.335 30.813 -10.169 1.00 0.00 C ATOM 875 C GLU A 55 -0.017 31.306 -9.667 1.00 0.00 C ATOM 876 O GLU A 55 -0.224 31.454 -8.462 1.00 0.00 O ATOM 877 CB GLU A 55 1.187 29.399 -10.737 1.00 0.00 C ATOM 878 CG GLU A 55 2.532 28.925 -11.289 1.00 0.00 C ATOM 879 CD GLU A 55 2.924 29.765 -12.499 1.00 0.00 C ATOM 880 OE1 GLU A 55 2.050 30.407 -13.059 1.00 0.00 O ATOM 881 OE2 GLU A 55 4.092 29.753 -12.849 1.00 0.00 O ATOM 0 H GLU A 55 2.606 29.890 -8.774 1.00 0.00 H new ATOM 0 HA GLU A 55 1.688 31.482 -10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.841 28.718 -9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.435 29.390 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.299 29.003 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.469 27.874 -11.571 1.00 0.00 H new ATOM 888 N GLU A 56 -0.934 31.560 -10.592 1.00 0.00 N ATOM 889 CA GLU A 56 -2.259 32.037 -10.219 1.00 0.00 C ATOM 890 C GLU A 56 -2.799 31.234 -9.039 1.00 0.00 C ATOM 891 O GLU A 56 -2.538 30.037 -8.921 1.00 0.00 O ATOM 892 CB GLU A 56 -3.217 31.907 -11.404 1.00 0.00 C ATOM 893 CG GLU A 56 -2.709 32.759 -12.568 1.00 0.00 C ATOM 894 CD GLU A 56 -3.697 32.691 -13.728 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.613 31.889 -13.652 1.00 0.00 O ATOM 896 OE2 GLU A 56 -3.523 33.442 -14.673 1.00 0.00 O ATOM 0 H GLU A 56 -0.787 31.445 -11.595 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.180 33.085 -9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.294 30.864 -11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.217 32.229 -11.114 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.583 33.793 -12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.730 32.404 -12.891 1.00 0.00 H new ATOM 903 N GLU A 57 -3.551 31.900 -8.169 1.00 0.00 N ATOM 904 CA GLU A 57 -4.119 31.230 -7.006 1.00 0.00 C ATOM 905 C GLU A 57 -4.857 29.972 -7.437 1.00 0.00 C ATOM 906 O GLU A 57 -5.541 29.968 -8.461 1.00 0.00 O ATOM 907 CB GLU A 57 -5.087 32.164 -6.277 1.00 0.00 C ATOM 908 CG GLU A 57 -4.360 33.450 -5.879 1.00 0.00 C ATOM 909 CD GLU A 57 -4.557 34.513 -6.955 1.00 0.00 C ATOM 910 OE1 GLU A 57 -5.697 34.857 -7.218 1.00 0.00 O ATOM 911 OE2 GLU A 57 -3.565 34.967 -7.498 1.00 0.00 O ATOM 0 H GLU A 57 -3.779 32.891 -8.245 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.307 30.959 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.935 32.398 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.486 31.671 -5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.740 33.812 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.297 33.250 -5.744 1.00 0.00 H new ATOM 918 N GLY A 58 -4.711 28.909 -6.650 1.00 0.00 N ATOM 919 CA GLY A 58 -5.365 27.642 -6.957 1.00 0.00 C ATOM 920 C GLY A 58 -6.123 27.109 -5.749 1.00 0.00 C ATOM 921 O GLY A 58 -5.652 27.188 -4.615 1.00 0.00 O ATOM 0 H GLY A 58 -4.148 28.900 -5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.053 27.777 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.620 26.912 -7.274 1.00 0.00 H new ATOM 925 N THR A 59 -7.300 26.566 -6.015 1.00 0.00 N ATOM 926 CA THR A 59 -8.145 26.008 -4.969 1.00 0.00 C ATOM 927 C THR A 59 -8.946 24.849 -5.545 1.00 0.00 C ATOM 928 O THR A 59 -10.176 24.833 -5.481 1.00 0.00 O ATOM 929 CB THR A 59 -9.093 27.091 -4.444 1.00 0.00 C ATOM 930 OG1 THR A 59 -9.540 27.889 -5.532 1.00 0.00 O ATOM 931 CG2 THR A 59 -8.360 27.971 -3.430 1.00 0.00 C ATOM 0 H THR A 59 -7.695 26.499 -6.953 1.00 0.00 H new ATOM 0 HA THR A 59 -7.528 25.649 -4.145 1.00 0.00 H new ATOM 0 HB THR A 59 -9.948 26.622 -3.958 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.148 28.582 -5.201 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.037 28.740 -3.059 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.016 27.358 -2.597 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.503 28.443 -3.910 1.00 0.00 H new ATOM 939 N PHE A 60 -8.234 23.892 -6.130 1.00 0.00 N ATOM 940 CA PHE A 60 -8.878 22.735 -6.746 1.00 0.00 C ATOM 941 C PHE A 60 -9.486 21.822 -5.690 1.00 0.00 C ATOM 942 O PHE A 60 -10.617 21.357 -5.831 1.00 0.00 O ATOM 943 CB PHE A 60 -7.863 21.954 -7.585 1.00 0.00 C ATOM 944 CG PHE A 60 -8.590 20.928 -8.419 1.00 0.00 C ATOM 945 CD1 PHE A 60 -9.298 21.326 -9.561 1.00 0.00 C ATOM 946 CD2 PHE A 60 -8.561 19.579 -8.049 1.00 0.00 C ATOM 947 CE1 PHE A 60 -9.976 20.375 -10.330 1.00 0.00 C ATOM 948 CE2 PHE A 60 -9.239 18.627 -8.820 1.00 0.00 C ATOM 949 CZ PHE A 60 -9.946 19.025 -9.961 1.00 0.00 C ATOM 0 H PHE A 60 -7.216 23.893 -6.191 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.679 23.096 -7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.306 22.634 -8.229 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.138 21.464 -6.936 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.320 22.367 -9.847 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.016 19.272 -7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.523 20.682 -11.209 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.217 17.586 -8.535 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.468 18.291 -10.556 1.00 0.00 H new ATOM 959 N ARG A 61 -8.728 21.574 -4.631 1.00 0.00 N ATOM 960 CA ARG A 61 -9.198 20.722 -3.551 1.00 0.00 C ATOM 961 C ARG A 61 -10.433 21.331 -2.897 1.00 0.00 C ATOM 962 O ARG A 61 -11.315 20.616 -2.426 1.00 0.00 O ATOM 963 CB ARG A 61 -8.098 20.541 -2.507 1.00 0.00 C ATOM 964 CG ARG A 61 -6.801 20.118 -3.201 1.00 0.00 C ATOM 965 CD ARG A 61 -6.216 18.885 -2.510 1.00 0.00 C ATOM 966 NE ARG A 61 -7.020 17.709 -2.817 1.00 0.00 N ATOM 967 CZ ARG A 61 -6.492 16.489 -2.804 1.00 0.00 C ATOM 968 NH1 ARG A 61 -5.233 16.324 -2.501 1.00 0.00 N ATOM 969 NH2 ARG A 61 -7.234 15.457 -3.095 1.00 0.00 N ATOM 0 H ARG A 61 -7.789 21.950 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.460 19.749 -3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.944 21.471 -1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.395 19.788 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.995 19.899 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.081 20.936 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.188 18.728 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.186 19.043 -1.432 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.007 17.824 -3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.653 17.132 -2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.829 15.387 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.218 15.587 -3.332 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.831 14.520 -3.086 1.00 0.00 H new ATOM 983 N SER A 62 -10.479 22.658 -2.868 1.00 0.00 N ATOM 984 CA SER A 62 -11.601 23.367 -2.263 1.00 0.00 C ATOM 985 C SER A 62 -12.904 23.034 -2.980 1.00 0.00 C ATOM 986 O SER A 62 -13.968 23.012 -2.365 1.00 0.00 O ATOM 987 CB SER A 62 -11.361 24.872 -2.306 1.00 0.00 C ATOM 988 OG SER A 62 -9.971 25.128 -2.156 1.00 0.00 O ATOM 0 H SER A 62 -9.755 23.263 -3.255 1.00 0.00 H new ATOM 0 HA SER A 62 -11.682 23.046 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.719 25.283 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.922 25.365 -1.511 1.00 0.00 H new ATOM 0 HG SER A 62 -9.838 26.055 -1.867 1.00 0.00 H new ATOM 994 N SER A 63 -12.826 22.786 -4.280 1.00 0.00 N ATOM 995 CA SER A 63 -14.024 22.465 -5.046 1.00 0.00 C ATOM 996 C SER A 63 -14.636 21.165 -4.537 1.00 0.00 C ATOM 997 O SER A 63 -15.853 20.984 -4.574 1.00 0.00 O ATOM 998 CB SER A 63 -13.677 22.321 -6.528 1.00 0.00 C ATOM 999 OG SER A 63 -14.827 22.617 -7.308 1.00 0.00 O ATOM 0 H SER A 63 -11.961 22.800 -4.820 1.00 0.00 H new ATOM 0 HA SER A 63 -14.744 23.274 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.862 22.995 -6.790 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.332 21.308 -6.736 1.00 0.00 H new ATOM 0 HG SER A 63 -14.609 22.528 -8.259 1.00 0.00 H new ATOM 1005 N ILE A 64 -13.787 20.265 -4.050 1.00 0.00 N ATOM 1006 CA ILE A 64 -14.266 18.993 -3.523 1.00 0.00 C ATOM 1007 C ILE A 64 -15.149 19.226 -2.298 1.00 0.00 C ATOM 1008 O ILE A 64 -16.102 18.483 -2.065 1.00 0.00 O ATOM 1009 CB ILE A 64 -13.089 18.058 -3.179 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -13.462 16.629 -3.582 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -12.777 18.085 -1.673 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -12.345 15.671 -3.168 1.00 0.00 C ATOM 0 H ILE A 64 -12.776 20.391 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.863 18.506 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.206 18.398 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -14.399 16.339 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.621 16.574 -4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.943 17.416 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.513 19.099 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.654 17.759 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.612 14.654 -3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -11.418 15.957 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.207 15.718 -2.088 1.00 0.00 H new ATOM 1024 N ARG A 65 -14.837 20.264 -1.518 1.00 0.00 N ATOM 1025 CA ARG A 65 -15.634 20.562 -0.334 1.00 0.00 C ATOM 1026 C ARG A 65 -17.077 20.789 -0.747 1.00 0.00 C ATOM 1027 O ARG A 65 -18.005 20.451 -0.013 1.00 0.00 O ATOM 1028 CB ARG A 65 -15.117 21.813 0.387 1.00 0.00 C ATOM 1029 CG ARG A 65 -13.740 21.544 0.996 1.00 0.00 C ATOM 1030 CD ARG A 65 -13.370 22.700 1.929 1.00 0.00 C ATOM 1031 NE ARG A 65 -12.036 22.503 2.486 1.00 0.00 N ATOM 1032 CZ ARG A 65 -11.847 21.869 3.642 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -12.860 21.375 4.304 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.638 21.735 4.115 1.00 0.00 N ATOM 0 H ARG A 65 -14.055 20.898 -1.682 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.560 19.716 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.056 22.646 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -15.817 22.106 1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.750 20.604 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -12.994 21.443 0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.406 23.642 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -14.100 22.772 2.735 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.227 22.860 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.806 21.473 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.704 20.891 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.844 22.115 3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.487 21.250 5.000 1.00 0.00 H new ATOM 1048 N ARG A 66 -17.261 21.343 -1.943 1.00 0.00 N ATOM 1049 CA ARG A 66 -18.595 21.580 -2.453 1.00 0.00 C ATOM 1050 C ARG A 66 -19.351 20.266 -2.446 1.00 0.00 C ATOM 1051 O ARG A 66 -20.540 20.225 -2.178 1.00 0.00 O ATOM 1052 CB ARG A 66 -18.521 22.135 -3.877 1.00 0.00 C ATOM 1053 CG ARG A 66 -19.869 22.744 -4.261 1.00 0.00 C ATOM 1054 CD ARG A 66 -19.841 23.154 -5.734 1.00 0.00 C ATOM 1055 NE ARG A 66 -18.742 24.081 -5.983 1.00 0.00 N ATOM 1056 CZ ARG A 66 -18.260 24.259 -7.208 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -18.776 23.607 -8.213 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -17.272 25.088 -7.406 1.00 0.00 N ATOM 0 H ARG A 66 -16.507 21.631 -2.566 1.00 0.00 H new ATOM 0 HA ARG A 66 -19.109 22.309 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.737 22.890 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.258 21.340 -4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -20.668 22.023 -4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -20.080 23.611 -3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.729 22.270 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.788 23.621 -6.006 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.337 24.601 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.550 22.960 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.406 23.744 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.870 25.599 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.902 25.225 -8.347 1.00 0.00 H new ATOM 1072 N LEU A 67 -18.629 19.194 -2.729 1.00 0.00 N ATOM 1073 CA LEU A 67 -19.214 17.860 -2.750 1.00 0.00 C ATOM 1074 C LEU A 67 -19.856 17.522 -1.403 1.00 0.00 C ATOM 1075 O LEU A 67 -20.717 16.646 -1.322 1.00 0.00 O ATOM 1076 CB LEU A 67 -18.122 16.837 -3.070 1.00 0.00 C ATOM 1077 CG LEU A 67 -18.755 15.568 -3.641 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -18.830 15.674 -5.166 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -17.896 14.364 -3.256 1.00 0.00 C ATOM 0 H LEU A 67 -17.633 19.220 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.990 17.831 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.416 17.257 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -17.558 16.599 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.761 15.447 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.281 14.769 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.437 16.537 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.825 15.792 -5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -18.342 13.455 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.892 14.488 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.840 14.289 -2.170 1.00 0.00 H new ATOM 1091 N SER A 68 -19.416 18.202 -0.346 1.00 0.00 N ATOM 1092 CA SER A 68 -19.945 17.940 0.991 1.00 0.00 C ATOM 1093 C SER A 68 -21.400 18.391 1.127 1.00 0.00 C ATOM 1094 O SER A 68 -22.244 17.637 1.612 1.00 0.00 O ATOM 1095 CB SER A 68 -19.092 18.659 2.034 1.00 0.00 C ATOM 1096 OG SER A 68 -17.726 18.313 1.847 1.00 0.00 O ATOM 0 H SER A 68 -18.703 18.930 -0.387 1.00 0.00 H new ATOM 0 HA SER A 68 -19.910 16.863 1.154 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.221 19.738 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.415 18.382 3.038 1.00 0.00 H new ATOM 0 HG SER A 68 -17.349 18.851 1.120 1.00 0.00 H new ATOM 1102 N THR A 69 -21.687 19.620 0.704 1.00 0.00 N ATOM 1103 CA THR A 69 -23.045 20.156 0.793 1.00 0.00 C ATOM 1104 C THR A 69 -23.695 20.173 -0.582 1.00 0.00 C ATOM 1105 O THR A 69 -24.900 19.958 -0.704 1.00 0.00 O ATOM 1106 CB THR A 69 -23.007 21.579 1.364 1.00 0.00 C ATOM 1107 OG1 THR A 69 -22.796 21.518 2.767 1.00 0.00 O ATOM 1108 CG2 THR A 69 -24.332 22.287 1.076 1.00 0.00 C ATOM 0 H THR A 69 -21.004 20.260 0.299 1.00 0.00 H new ATOM 0 HA THR A 69 -23.631 19.518 1.454 1.00 0.00 H new ATOM 0 HB THR A 69 -22.194 22.135 0.896 1.00 0.00 H new ATOM 0 HG1 THR A 69 -22.770 22.426 3.134 1.00 0.00 H new ATOM 0 HG21 THR A 69 -24.301 23.298 1.483 1.00 0.00 H new ATOM 0 HG22 THR A 69 -24.492 22.335 -0.001 1.00 0.00 H new ATOM 0 HG23 THR A 69 -25.148 21.734 1.540 1.00 0.00 H new ATOM 1116 N ARG A 70 -22.858 20.429 -1.593 1.00 0.00 N ATOM 1117 CA ARG A 70 -23.263 20.492 -3.012 1.00 0.00 C ATOM 1118 C ARG A 70 -24.772 20.631 -3.202 1.00 0.00 C ATOM 1119 O ARG A 70 -25.409 19.805 -3.854 1.00 0.00 O ATOM 1120 CB ARG A 70 -22.744 19.268 -3.801 1.00 0.00 C ATOM 1121 CG ARG A 70 -22.860 17.963 -2.987 1.00 0.00 C ATOM 1122 CD ARG A 70 -24.321 17.514 -2.896 1.00 0.00 C ATOM 1123 NE ARG A 70 -24.392 16.156 -2.368 1.00 0.00 N ATOM 1124 CZ ARG A 70 -24.387 15.922 -1.060 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -24.320 16.917 -0.218 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -24.450 14.696 -0.618 1.00 0.00 N ATOM 0 H ARG A 70 -21.863 20.602 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 70 -22.803 21.397 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -23.309 19.168 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -21.703 19.431 -4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -22.262 17.181 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -22.457 18.115 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -24.880 18.193 -2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -24.785 17.555 -3.881 1.00 0.00 H new ATOM 0 HE ARG A 70 -24.447 15.370 -3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -24.271 17.875 -0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -24.316 16.736 0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -24.503 13.919 -1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -24.446 14.515 0.386 1.00 0.00 H new ATOM 1140 N ARG A 71 -25.335 21.696 -2.642 1.00 0.00 N ATOM 1141 CA ARG A 71 -26.764 21.945 -2.773 1.00 0.00 C ATOM 1142 C ARG A 71 -27.056 22.603 -4.118 1.00 0.00 C ATOM 1143 O ARG A 71 -26.197 23.280 -4.683 1.00 0.00 O ATOM 1144 CB ARG A 71 -27.247 22.850 -1.635 1.00 0.00 C ATOM 1145 CG ARG A 71 -27.724 21.991 -0.460 1.00 0.00 C ATOM 1146 CD ARG A 71 -29.159 21.516 -0.708 1.00 0.00 C ATOM 1147 NE ARG A 71 -29.334 20.159 -0.199 1.00 0.00 N ATOM 1148 CZ ARG A 71 -30.485 19.510 -0.348 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -31.485 20.084 -0.958 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -30.611 18.296 0.114 1.00 0.00 N ATOM 0 H ARG A 71 -24.828 22.394 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 71 -27.294 20.994 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -26.440 23.508 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -28.058 23.488 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -27.064 21.132 -0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -27.677 22.566 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -29.863 22.190 -0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -29.380 21.544 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 71 -28.559 19.700 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -31.385 21.032 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -32.367 19.585 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -29.828 17.847 0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -31.493 17.796 0.001 1.00 0.00 H new ATOM 1164 N ARG A 72 -28.266 22.391 -4.627 1.00 0.00 N ATOM 1165 CA ARG A 72 -28.660 22.962 -5.913 1.00 0.00 C ATOM 1166 C ARG A 72 -28.129 24.384 -6.065 1.00 0.00 C ATOM 1167 O ARG A 72 -27.950 24.810 -7.195 1.00 0.00 O ATOM 1168 CB ARG A 72 -30.185 22.973 -6.029 1.00 0.00 C ATOM 1169 CG ARG A 72 -30.777 23.754 -4.854 1.00 0.00 C ATOM 1170 CD ARG A 72 -32.300 23.756 -4.958 1.00 0.00 C ATOM 1171 NE ARG A 72 -32.829 22.432 -4.654 1.00 0.00 N ATOM 1172 CZ ARG A 72 -34.084 22.271 -4.253 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -34.864 23.308 -4.118 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -34.536 21.075 -3.990 1.00 0.00 N ATOM 1175 OXT ARG A 72 -27.916 25.027 -5.052 1.00 0.00 O ATOM 0 H ARG A 72 -28.988 21.831 -4.173 1.00 0.00 H new ATOM 0 HA ARG A 72 -28.234 22.346 -6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.486 23.429 -6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -30.568 21.953 -6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -30.467 23.303 -3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -30.401 24.777 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -32.718 24.489 -4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.602 24.054 -5.962 1.00 0.00 H new ATOM 0 HE ARG A 72 -32.225 21.616 -4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.509 24.243 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -35.828 23.184 -3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -33.925 20.265 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -35.500 20.951 -3.682 1.00 0.00 H new TER 1189 ARG A 72