USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -28:sc= -1.55! USER MOD Single : A 11 GLN : amide:sc= 0.587 K(o=0.59,f=-0.14) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -2.58 USER MOD Single : A 19 GLN : amide:sc= -0.335 K(o=-0.33,f=-2.2!) USER MOD Single : A 20 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.68) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -7.03! C(o=-7!,f=-5.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 53 MET CE :methyl 136:sc= -0.0618 (180deg=-0.478) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0988 K(o=-0.099,f=0.92) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.353 2.785 -5.778 1.00 0.00 N ATOM 2 CA GLY A 1 -25.938 2.780 -5.448 1.00 0.00 C ATOM 3 C GLY A 1 -25.615 1.679 -4.437 1.00 0.00 C ATOM 4 O GLY A 1 -25.800 1.861 -3.235 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.546 3.541 -6.466 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.617 1.867 -6.189 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.910 2.951 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.350 2.631 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.653 3.749 -5.039 1.00 0.00 H new ATOM 8 N SER A 2 -25.137 0.560 -4.961 1.00 0.00 N ATOM 9 CA SER A 2 -24.786 -0.571 -4.120 1.00 0.00 C ATOM 10 C SER A 2 -23.346 -1.005 -4.399 1.00 0.00 C ATOM 11 O SER A 2 -22.977 -1.243 -5.548 1.00 0.00 O ATOM 12 CB SER A 2 -25.745 -1.742 -4.342 1.00 0.00 C ATOM 13 OG SER A 2 -25.198 -2.975 -3.884 1.00 0.00 O ATOM 0 H SER A 2 -24.985 0.413 -5.959 1.00 0.00 H new ATOM 0 HA SER A 2 -24.870 -0.260 -3.079 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.683 -1.546 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.980 -1.822 -5.403 1.00 0.00 H new ATOM 0 HG SER A 2 -25.841 -3.697 -4.042 1.00 0.00 H new ATOM 19 N SER A 3 -22.570 -1.094 -3.329 1.00 0.00 N ATOM 20 CA SER A 3 -21.178 -1.495 -3.445 1.00 0.00 C ATOM 21 C SER A 3 -20.798 -2.411 -2.279 1.00 0.00 C ATOM 22 O SER A 3 -21.447 -2.393 -1.234 1.00 0.00 O ATOM 23 CB SER A 3 -20.255 -0.276 -3.484 1.00 0.00 C ATOM 24 OG SER A 3 -19.357 -0.321 -4.589 1.00 0.00 O ATOM 0 H SER A 3 -22.879 -0.895 -2.377 1.00 0.00 H new ATOM 0 HA SER A 3 -21.056 -2.039 -4.381 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.856 0.632 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.686 -0.223 -2.556 1.00 0.00 H new ATOM 0 HG SER A 3 -18.786 0.476 -4.579 1.00 0.00 H new ATOM 30 N GLY A 4 -19.749 -3.190 -2.498 1.00 0.00 N ATOM 31 CA GLY A 4 -19.275 -4.111 -1.479 1.00 0.00 C ATOM 32 C GLY A 4 -17.936 -4.732 -1.881 1.00 0.00 C ATOM 33 O GLY A 4 -17.887 -5.882 -2.313 1.00 0.00 O ATOM 0 H GLY A 4 -19.214 -3.202 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.166 -3.585 -0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.013 -4.898 -1.324 1.00 0.00 H new ATOM 37 N SER A 5 -16.883 -3.943 -1.724 1.00 0.00 N ATOM 38 CA SER A 5 -15.547 -4.402 -2.065 1.00 0.00 C ATOM 39 C SER A 5 -14.730 -4.627 -0.791 1.00 0.00 C ATOM 40 O SER A 5 -14.709 -3.775 0.096 1.00 0.00 O ATOM 41 CB SER A 5 -14.839 -3.401 -2.980 1.00 0.00 C ATOM 42 OG SER A 5 -13.797 -4.013 -3.736 1.00 0.00 O ATOM 0 H SER A 5 -16.928 -2.989 -1.365 1.00 0.00 H new ATOM 0 HA SER A 5 -15.636 -5.346 -2.603 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.565 -2.954 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.424 -2.592 -2.379 1.00 0.00 H new ATOM 0 HG SER A 5 -13.371 -3.342 -4.309 1.00 0.00 H new ATOM 48 N SER A 6 -14.077 -5.778 -0.741 1.00 0.00 N ATOM 49 CA SER A 6 -13.260 -6.126 0.409 1.00 0.00 C ATOM 50 C SER A 6 -11.953 -6.773 -0.054 1.00 0.00 C ATOM 51 O SER A 6 -11.876 -7.993 -0.193 1.00 0.00 O ATOM 52 CB SER A 6 -14.012 -7.066 1.354 1.00 0.00 C ATOM 53 OG SER A 6 -13.756 -6.763 2.723 1.00 0.00 O ATOM 0 H SER A 6 -14.097 -6.482 -1.479 1.00 0.00 H new ATOM 0 HA SER A 6 -13.031 -5.211 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.082 -6.994 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.719 -8.096 1.150 1.00 0.00 H new ATOM 0 HG SER A 6 -14.255 -7.383 3.294 1.00 0.00 H new ATOM 59 N GLY A 7 -10.959 -5.927 -0.279 1.00 0.00 N ATOM 60 CA GLY A 7 -9.659 -6.402 -0.723 1.00 0.00 C ATOM 61 C GLY A 7 -8.714 -6.602 0.463 1.00 0.00 C ATOM 62 O GLY A 7 -9.085 -7.221 1.459 1.00 0.00 O ATOM 0 H GLY A 7 -11.027 -4.916 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.776 -7.342 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.225 -5.686 -1.421 1.00 0.00 H new ATOM 66 N ARG A 8 -7.511 -6.066 0.317 1.00 0.00 N ATOM 67 CA ARG A 8 -6.510 -6.178 1.364 1.00 0.00 C ATOM 68 C ARG A 8 -6.103 -4.789 1.861 1.00 0.00 C ATOM 69 O ARG A 8 -6.035 -3.842 1.080 1.00 0.00 O ATOM 70 CB ARG A 8 -5.267 -6.916 0.862 1.00 0.00 C ATOM 71 CG ARG A 8 -5.316 -8.396 1.247 1.00 0.00 C ATOM 72 CD ARG A 8 -4.048 -8.810 1.996 1.00 0.00 C ATOM 73 NE ARG A 8 -4.404 -9.600 3.196 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.518 -10.275 3.941 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.218 -10.260 3.614 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.931 -10.965 5.012 1.00 0.00 N ATOM 0 H ARG A 8 -7.207 -5.553 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.950 -6.747 2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.196 -6.820 -0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.372 -6.457 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.189 -8.584 1.871 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.428 -9.005 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.405 -9.398 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.483 -7.925 2.288 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.385 -9.633 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.903 -9.735 2.798 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.544 -10.774 4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.920 -10.977 5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.256 -11.479 5.579 1.00 0.00 H new ATOM 90 N ARG A 9 -5.844 -4.712 3.158 1.00 0.00 N ATOM 91 CA ARG A 9 -5.446 -3.455 3.768 1.00 0.00 C ATOM 92 C ARG A 9 -4.056 -3.585 4.394 1.00 0.00 C ATOM 93 O ARG A 9 -3.718 -4.628 4.953 1.00 0.00 O ATOM 94 CB ARG A 9 -6.444 -3.025 4.845 1.00 0.00 C ATOM 95 CG ARG A 9 -7.346 -1.898 4.338 1.00 0.00 C ATOM 96 CD ARG A 9 -8.320 -1.443 5.427 1.00 0.00 C ATOM 97 NE ARG A 9 -9.664 -2.006 5.172 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.723 -1.813 5.969 1.00 0.00 C ATOM 99 NH1 ARG A 9 -10.601 -1.070 7.077 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.905 -2.364 5.658 1.00 0.00 N ATOM 0 H ARG A 9 -5.902 -5.500 3.803 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.426 -2.698 2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.054 -3.878 5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.906 -2.693 5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.735 -1.055 4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.904 -2.238 3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.961 -1.765 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.371 -0.354 5.449 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.792 -2.577 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.702 -0.651 7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.408 -0.923 7.684 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.998 -2.930 4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.712 -2.217 6.265 1.00 0.00 H new ATOM 114 N CYS A 10 -3.287 -2.512 4.280 1.00 0.00 N ATOM 115 CA CYS A 10 -1.942 -2.493 4.828 1.00 0.00 C ATOM 116 C CYS A 10 -1.601 -1.053 5.216 1.00 0.00 C ATOM 117 O CYS A 10 -2.053 -0.109 4.571 1.00 0.00 O ATOM 118 CB CYS A 10 -0.923 -3.075 3.845 1.00 0.00 C ATOM 119 SG CYS A 10 -1.600 -4.584 3.062 1.00 0.00 S ATOM 0 H CYS A 10 -3.570 -1.649 3.816 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.899 -3.127 5.714 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.680 -2.337 3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.004 -3.311 4.367 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.448 -5.148 3.869 1.00 0.00 H new ATOM 125 N GLN A 11 -0.808 -0.931 6.270 1.00 0.00 N ATOM 126 CA GLN A 11 -0.402 0.378 6.753 1.00 0.00 C ATOM 127 C GLN A 11 1.009 0.711 6.262 1.00 0.00 C ATOM 128 O GLN A 11 1.837 -0.182 6.090 1.00 0.00 O ATOM 129 CB GLN A 11 -0.482 0.449 8.279 1.00 0.00 C ATOM 130 CG GLN A 11 -0.623 1.897 8.754 1.00 0.00 C ATOM 131 CD GLN A 11 -1.526 1.984 9.987 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.499 1.141 10.868 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.325 3.047 9.998 1.00 0.00 N ATOM 0 H GLN A 11 -0.436 -1.717 6.803 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.091 1.121 6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.332 -0.137 8.630 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.413 0.005 8.715 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.360 2.304 8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.037 2.508 7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.296 3.714 9.227 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.966 3.195 10.777 1.00 0.00 H new ATOM 142 N VAL A 12 1.239 1.998 6.051 1.00 0.00 N ATOM 143 CA VAL A 12 2.535 2.460 5.584 1.00 0.00 C ATOM 144 C VAL A 12 3.423 2.779 6.788 1.00 0.00 C ATOM 145 O VAL A 12 3.087 3.639 7.601 1.00 0.00 O ATOM 146 CB VAL A 12 2.357 3.651 4.640 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.699 4.326 4.350 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.667 3.225 3.343 1.00 0.00 C ATOM 0 H VAL A 12 0.550 2.736 6.195 1.00 0.00 H new ATOM 0 HA VAL A 12 3.034 1.679 5.010 1.00 0.00 H new ATOM 0 HB VAL A 12 1.716 4.379 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.544 5.169 3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.136 4.682 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.374 3.608 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.553 4.090 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.271 2.469 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.685 2.812 3.572 1.00 0.00 H new ATOM 158 N ALA A 13 4.539 2.069 6.865 1.00 0.00 N ATOM 159 CA ALA A 13 5.478 2.266 7.956 1.00 0.00 C ATOM 160 C ALA A 13 6.562 3.253 7.519 1.00 0.00 C ATOM 161 O ALA A 13 7.176 3.916 8.354 1.00 0.00 O ATOM 162 CB ALA A 13 6.056 0.915 8.382 1.00 0.00 C ATOM 0 H ALA A 13 4.814 1.356 6.189 1.00 0.00 H new ATOM 0 HA ALA A 13 4.975 2.693 8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.761 1.062 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.248 0.261 8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.571 0.457 7.538 1.00 0.00 H new ATOM 168 N PHE A 14 6.764 3.319 6.212 1.00 0.00 N ATOM 169 CA PHE A 14 7.764 4.214 5.654 1.00 0.00 C ATOM 170 C PHE A 14 7.195 5.002 4.472 1.00 0.00 C ATOM 171 O PHE A 14 6.765 4.416 3.479 1.00 0.00 O ATOM 172 CB PHE A 14 8.920 3.342 5.161 1.00 0.00 C ATOM 173 CG PHE A 14 9.236 2.155 6.073 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.516 1.006 5.969 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.238 2.249 6.988 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.810 -0.095 6.815 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.532 1.147 7.834 1.00 0.00 C ATOM 178 CZ PHE A 14 9.812 -0.002 7.730 1.00 0.00 C ATOM 0 H PHE A 14 6.253 2.768 5.523 1.00 0.00 H new ATOM 0 HA PHE A 14 8.088 4.928 6.411 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.681 2.969 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.812 3.960 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.720 0.931 5.243 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.810 3.161 7.071 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.238 -1.007 6.732 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.328 1.221 8.560 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.036 -0.840 8.373 1.00 0.00 H new ATOM 188 N SER A 15 7.212 6.319 4.617 1.00 0.00 N ATOM 189 CA SER A 15 6.704 7.193 3.573 1.00 0.00 C ATOM 190 C SER A 15 7.532 7.023 2.298 1.00 0.00 C ATOM 191 O SER A 15 8.751 6.870 2.361 1.00 0.00 O ATOM 192 CB SER A 15 6.718 8.655 4.024 1.00 0.00 C ATOM 193 OG SER A 15 7.979 9.034 4.569 1.00 0.00 O ATOM 0 H SER A 15 7.569 6.802 5.441 1.00 0.00 H new ATOM 0 HA SER A 15 5.671 6.914 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.482 9.298 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.939 8.812 4.770 1.00 0.00 H new ATOM 0 HG SER A 15 7.948 9.974 4.843 1.00 0.00 H new ATOM 199 N TYR A 16 6.838 7.057 1.170 1.00 0.00 N ATOM 200 CA TYR A 16 7.494 6.908 -0.117 1.00 0.00 C ATOM 201 C TYR A 16 6.985 7.950 -1.115 1.00 0.00 C ATOM 202 O TYR A 16 5.792 8.002 -1.410 1.00 0.00 O ATOM 203 CB TYR A 16 7.122 5.512 -0.622 1.00 0.00 C ATOM 204 CG TYR A 16 7.560 5.233 -2.061 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.758 5.622 -3.114 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.758 4.593 -2.305 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.170 5.359 -4.469 1.00 0.00 C ATOM 208 CE2 TYR A 16 9.170 4.330 -3.660 1.00 0.00 C ATOM 209 CZ TYR A 16 8.356 4.726 -4.674 1.00 0.00 C ATOM 210 OH TYR A 16 8.746 4.478 -5.954 1.00 0.00 O ATOM 0 H TYR A 16 5.827 7.186 1.121 1.00 0.00 H new ATOM 0 HA TYR A 16 8.571 7.043 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.572 4.768 0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.041 5.387 -0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.821 6.124 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.386 4.290 -1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.552 5.658 -5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.105 3.829 -3.866 1.00 0.00 H new ATOM 0 HH TYR A 16 9.613 4.021 -5.949 1.00 0.00 H new ATOM 220 N LEU A 17 7.916 8.754 -1.608 1.00 0.00 N ATOM 221 CA LEU A 17 7.577 9.792 -2.567 1.00 0.00 C ATOM 222 C LEU A 17 7.653 9.217 -3.983 1.00 0.00 C ATOM 223 O LEU A 17 8.670 8.642 -4.369 1.00 0.00 O ATOM 224 CB LEU A 17 8.457 11.025 -2.356 1.00 0.00 C ATOM 225 CG LEU A 17 8.321 11.722 -1.000 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.010 12.508 -0.917 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.463 10.721 0.148 1.00 0.00 C ATOM 0 H LEU A 17 8.905 8.708 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 17 6.552 10.131 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.498 10.731 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.228 11.748 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 17 9.134 12.441 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.938 12.994 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.989 13.264 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.169 11.827 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.362 11.242 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.686 9.961 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.442 10.245 0.097 1.00 0.00 H new ATOM 239 N PRO A 18 6.536 9.398 -4.738 1.00 0.00 N ATOM 240 CA PRO A 18 6.468 8.903 -6.102 1.00 0.00 C ATOM 241 C PRO A 18 7.290 9.783 -7.046 1.00 0.00 C ATOM 242 O PRO A 18 6.959 10.949 -7.260 1.00 0.00 O ATOM 243 CB PRO A 18 4.986 8.891 -6.442 1.00 0.00 C ATOM 244 CG PRO A 18 4.319 9.810 -5.432 1.00 0.00 C ATOM 245 CD PRO A 18 5.314 10.074 -4.314 1.00 0.00 C ATOM 0 HA PRO A 18 6.897 7.907 -6.210 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.816 9.241 -7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.579 7.882 -6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.020 10.745 -5.906 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.414 9.350 -5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.480 11.142 -4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.954 9.682 -3.363 1.00 0.00 H new ATOM 253 N GLN A 19 8.345 9.192 -7.586 1.00 0.00 N ATOM 254 CA GLN A 19 9.217 9.907 -8.502 1.00 0.00 C ATOM 255 C GLN A 19 8.543 10.060 -9.867 1.00 0.00 C ATOM 256 O GLN A 19 9.122 10.632 -10.789 1.00 0.00 O ATOM 257 CB GLN A 19 10.570 9.203 -8.634 1.00 0.00 C ATOM 258 CG GLN A 19 11.071 8.720 -7.272 1.00 0.00 C ATOM 259 CD GLN A 19 12.458 9.290 -6.965 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.166 9.771 -7.834 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.804 9.209 -5.683 1.00 0.00 N ATOM 0 H GLN A 19 8.616 8.225 -7.407 1.00 0.00 H new ATOM 0 HA GLN A 19 9.400 10.902 -8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.478 8.356 -9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.298 9.886 -9.072 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.369 9.022 -6.494 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.111 7.631 -7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.163 8.794 -5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.710 9.562 -5.376 1.00 0.00 H new ATOM 270 N ASN A 20 7.328 9.538 -9.953 1.00 0.00 N ATOM 271 CA ASN A 20 6.569 9.609 -11.189 1.00 0.00 C ATOM 272 C ASN A 20 5.146 10.080 -10.883 1.00 0.00 C ATOM 273 O ASN A 20 4.837 10.434 -9.746 1.00 0.00 O ATOM 274 CB ASN A 20 6.478 8.237 -11.860 1.00 0.00 C ATOM 275 CG ASN A 20 7.740 7.412 -11.594 1.00 0.00 C ATOM 276 OD1 ASN A 20 7.971 6.918 -10.502 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.540 7.292 -12.649 1.00 0.00 N ATOM 0 H ASN A 20 6.851 9.064 -9.186 1.00 0.00 H new ATOM 0 HA ASN A 20 7.078 10.304 -11.857 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.604 7.703 -11.487 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.340 8.362 -12.934 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.407 6.761 -12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.286 7.731 -13.534 1.00 0.00 H new ATOM 284 N ASP A 21 4.317 10.068 -11.916 1.00 0.00 N ATOM 285 CA ASP A 21 2.934 10.490 -11.772 1.00 0.00 C ATOM 286 C ASP A 21 2.018 9.272 -11.903 1.00 0.00 C ATOM 287 O ASP A 21 0.845 9.407 -12.247 1.00 0.00 O ATOM 288 CB ASP A 21 2.547 11.492 -12.861 1.00 0.00 C ATOM 289 CG ASP A 21 3.035 11.140 -14.267 1.00 0.00 C ATOM 290 OD1 ASP A 21 3.437 9.970 -14.452 1.00 0.00 O ATOM 291 OD2 ASP A 21 2.996 12.047 -15.126 1.00 0.00 O ATOM 0 H ASP A 21 4.577 9.772 -12.857 1.00 0.00 H new ATOM 0 HA ASP A 21 2.825 10.960 -10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.461 11.582 -12.882 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.943 12.471 -12.590 1.00 0.00 H new ATOM 296 N ASP A 22 2.588 8.109 -11.622 1.00 0.00 N ATOM 297 CA ASP A 22 1.837 6.868 -11.704 1.00 0.00 C ATOM 298 C ASP A 22 2.156 6.002 -10.484 1.00 0.00 C ATOM 299 O ASP A 22 1.804 4.824 -10.445 1.00 0.00 O ATOM 300 CB ASP A 22 2.216 6.077 -12.958 1.00 0.00 C ATOM 301 CG ASP A 22 1.102 5.196 -13.528 1.00 0.00 C ATOM 302 OD1 ASP A 22 -0.040 5.699 -13.596 1.00 0.00 O ATOM 303 OD2 ASP A 22 1.419 4.040 -13.883 1.00 0.00 O ATOM 0 H ASP A 22 3.561 8.000 -11.337 1.00 0.00 H new ATOM 0 HA ASP A 22 0.777 7.117 -11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.535 6.778 -13.729 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.074 5.447 -12.726 1.00 0.00 H new ATOM 308 N GLU A 23 2.821 6.619 -9.518 1.00 0.00 N ATOM 309 CA GLU A 23 3.192 5.919 -8.300 1.00 0.00 C ATOM 310 C GLU A 23 2.357 6.424 -7.122 1.00 0.00 C ATOM 311 O GLU A 23 1.773 7.505 -7.189 1.00 0.00 O ATOM 312 CB GLU A 23 4.688 6.068 -8.016 1.00 0.00 C ATOM 313 CG GLU A 23 5.486 4.938 -8.671 1.00 0.00 C ATOM 314 CD GLU A 23 6.734 4.603 -7.853 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.562 3.970 -6.789 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.832 4.988 -8.310 1.00 0.00 O ATOM 0 H GLU A 23 3.112 7.596 -9.554 1.00 0.00 H new ATOM 0 HA GLU A 23 2.986 4.857 -8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.039 7.030 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.860 6.063 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.859 4.051 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.776 5.230 -9.680 1.00 0.00 H new ATOM 323 N LEU A 24 2.327 5.619 -6.070 1.00 0.00 N ATOM 324 CA LEU A 24 1.573 5.971 -4.879 1.00 0.00 C ATOM 325 C LEU A 24 2.503 6.659 -3.877 1.00 0.00 C ATOM 326 O LEU A 24 3.692 6.348 -3.813 1.00 0.00 O ATOM 327 CB LEU A 24 0.861 4.742 -4.312 1.00 0.00 C ATOM 328 CG LEU A 24 -0.530 4.452 -4.879 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.212 3.320 -4.108 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.385 5.721 -4.910 1.00 0.00 C ATOM 0 H LEU A 24 2.813 4.724 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 24 0.784 6.682 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.491 3.870 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.774 4.863 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.415 4.116 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.199 3.134 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.609 2.415 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.314 3.603 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.369 5.487 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.495 6.111 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.902 6.470 -5.537 1.00 0.00 H new ATOM 342 N GLU A 25 1.927 7.581 -3.120 1.00 0.00 N ATOM 343 CA GLU A 25 2.689 8.315 -2.124 1.00 0.00 C ATOM 344 C GLU A 25 2.442 7.733 -0.731 1.00 0.00 C ATOM 345 O GLU A 25 1.438 8.047 -0.093 1.00 0.00 O ATOM 346 CB GLU A 25 2.349 9.807 -2.164 1.00 0.00 C ATOM 347 CG GLU A 25 3.096 10.569 -1.068 1.00 0.00 C ATOM 348 CD GLU A 25 2.672 12.038 -1.035 1.00 0.00 C ATOM 349 OE1 GLU A 25 1.615 12.310 -0.425 1.00 0.00 O ATOM 350 OE2 GLU A 25 3.413 12.856 -1.620 1.00 0.00 O ATOM 0 H GLU A 25 0.941 7.837 -3.176 1.00 0.00 H new ATOM 0 HA GLU A 25 3.749 8.211 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.610 10.217 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.275 9.942 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.898 10.108 -0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.170 10.501 -1.240 1.00 0.00 H new ATOM 357 N LEU A 26 3.374 6.896 -0.301 1.00 0.00 N ATOM 358 CA LEU A 26 3.270 6.268 1.005 1.00 0.00 C ATOM 359 C LEU A 26 3.572 7.303 2.091 1.00 0.00 C ATOM 360 O LEU A 26 4.524 8.074 1.971 1.00 0.00 O ATOM 361 CB LEU A 26 4.162 5.026 1.075 1.00 0.00 C ATOM 362 CG LEU A 26 4.092 4.083 -0.127 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.191 3.020 -0.055 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.701 3.460 -0.256 1.00 0.00 C ATOM 0 H LEU A 26 4.205 6.638 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 26 2.254 5.913 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.195 5.351 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.897 4.463 1.970 1.00 0.00 H new ATOM 0 HG LEU A 26 4.268 4.668 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.119 2.363 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.167 3.505 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.071 2.434 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.679 2.794 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.471 2.893 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.960 4.248 -0.388 1.00 0.00 H new ATOM 376 N LYS A 27 2.745 7.288 3.125 1.00 0.00 N ATOM 377 CA LYS A 27 2.911 8.216 4.230 1.00 0.00 C ATOM 378 C LYS A 27 2.679 7.478 5.550 1.00 0.00 C ATOM 379 O LYS A 27 1.585 6.974 5.799 1.00 0.00 O ATOM 380 CB LYS A 27 2.011 9.439 4.043 1.00 0.00 C ATOM 381 CG LYS A 27 2.799 10.617 3.466 1.00 0.00 C ATOM 382 CD LYS A 27 1.985 11.910 3.539 1.00 0.00 C ATOM 383 CE LYS A 27 2.172 12.600 4.892 1.00 0.00 C ATOM 384 NZ LYS A 27 2.435 14.045 4.704 1.00 0.00 N ATOM 0 H LYS A 27 1.957 6.647 3.221 1.00 0.00 H new ATOM 0 HA LYS A 27 3.931 8.600 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.185 9.189 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.574 9.723 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.732 10.739 4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.065 10.409 2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.292 12.583 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.929 11.689 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.280 12.463 5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.001 12.140 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.560 14.499 5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.299 14.170 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.631 14.483 4.210 1.00 0.00 H new ATOM 398 N VAL A 28 3.726 7.437 6.361 1.00 0.00 N ATOM 399 CA VAL A 28 3.650 6.768 7.648 1.00 0.00 C ATOM 400 C VAL A 28 2.257 6.978 8.246 1.00 0.00 C ATOM 401 O VAL A 28 1.945 8.063 8.735 1.00 0.00 O ATOM 402 CB VAL A 28 4.773 7.263 8.562 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.698 6.593 9.936 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.143 7.040 7.917 1.00 0.00 C ATOM 0 H VAL A 28 4.632 7.857 6.151 1.00 0.00 H new ATOM 0 HA VAL A 28 3.795 5.694 7.529 1.00 0.00 H new ATOM 0 HB VAL A 28 4.640 8.335 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.507 6.963 10.566 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.740 6.825 10.402 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.793 5.513 9.820 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.924 7.400 8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.288 5.976 7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.194 7.585 6.974 1.00 0.00 H new ATOM 414 N GLY A 29 1.458 5.923 8.186 1.00 0.00 N ATOM 415 CA GLY A 29 0.105 5.979 8.715 1.00 0.00 C ATOM 416 C GLY A 29 -0.923 5.680 7.623 1.00 0.00 C ATOM 417 O GLY A 29 -1.944 5.045 7.884 1.00 0.00 O ATOM 0 H GLY A 29 1.721 5.025 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.002 5.260 9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.084 6.966 9.137 1.00 0.00 H new ATOM 421 N ASP A 30 -0.619 6.151 6.423 1.00 0.00 N ATOM 422 CA ASP A 30 -1.504 5.942 5.290 1.00 0.00 C ATOM 423 C ASP A 30 -1.801 4.448 5.149 1.00 0.00 C ATOM 424 O ASP A 30 -0.922 3.614 5.359 1.00 0.00 O ATOM 425 CB ASP A 30 -0.856 6.420 3.989 1.00 0.00 C ATOM 426 CG ASP A 30 -0.816 7.939 3.807 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.543 8.624 4.816 1.00 0.00 O ATOM 428 OD2 ASP A 30 -1.058 8.380 2.662 1.00 0.00 O ATOM 0 H ASP A 30 0.229 6.677 6.210 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.418 6.509 5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.164 6.037 3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.396 5.983 3.149 1.00 0.00 H new ATOM 433 N ILE A 31 -3.043 4.155 4.794 1.00 0.00 N ATOM 434 CA ILE A 31 -3.467 2.776 4.622 1.00 0.00 C ATOM 435 C ILE A 31 -3.931 2.565 3.180 1.00 0.00 C ATOM 436 O ILE A 31 -4.903 3.178 2.741 1.00 0.00 O ATOM 437 CB ILE A 31 -4.521 2.405 5.668 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.030 2.728 7.080 1.00 0.00 C ATOM 439 CG2 ILE A 31 -4.941 0.940 5.528 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.106 2.413 8.121 1.00 0.00 C ATOM 0 H ILE A 31 -3.770 4.849 4.621 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.631 2.097 4.790 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.408 3.013 5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.130 2.152 7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.757 3.781 7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.690 0.703 6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.361 0.775 4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.071 0.297 5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.731 2.652 9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.996 3.008 7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.359 1.354 8.073 1.00 0.00 H new ATOM 452 N ILE A 32 -3.214 1.696 2.482 1.00 0.00 N ATOM 453 CA ILE A 32 -3.540 1.397 1.098 1.00 0.00 C ATOM 454 C ILE A 32 -4.376 0.117 1.041 1.00 0.00 C ATOM 455 O ILE A 32 -4.084 -0.851 1.742 1.00 0.00 O ATOM 456 CB ILE A 32 -2.269 1.341 0.248 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.720 2.745 -0.011 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.513 0.572 -1.052 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.244 2.837 0.383 1.00 0.00 C ATOM 0 H ILE A 32 -2.408 1.189 2.849 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.147 2.194 0.669 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.508 0.796 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.835 2.996 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.298 3.476 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.594 0.547 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.823 -0.447 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.296 1.067 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.122 3.845 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.136 2.609 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.334 2.122 -0.202 1.00 0.00 H new ATOM 471 N GLU A 33 -5.398 0.152 0.199 1.00 0.00 N ATOM 472 CA GLU A 33 -6.278 -0.993 0.041 1.00 0.00 C ATOM 473 C GLU A 33 -5.792 -1.881 -1.106 1.00 0.00 C ATOM 474 O GLU A 33 -6.343 -1.839 -2.206 1.00 0.00 O ATOM 475 CB GLU A 33 -7.724 -0.547 -0.186 1.00 0.00 C ATOM 476 CG GLU A 33 -8.595 -0.875 1.028 1.00 0.00 C ATOM 477 CD GLU A 33 -10.034 -1.177 0.605 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.532 -0.445 -0.278 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.604 -2.133 1.173 1.00 0.00 O ATOM 0 H GLU A 33 -5.636 0.956 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.253 -1.575 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.752 0.525 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.126 -1.041 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.180 -1.733 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.585 -0.036 1.724 1.00 0.00 H new ATOM 486 N VAL A 34 -4.766 -2.666 -0.811 1.00 0.00 N ATOM 487 CA VAL A 34 -4.200 -3.563 -1.804 1.00 0.00 C ATOM 488 C VAL A 34 -5.330 -4.189 -2.623 1.00 0.00 C ATOM 489 O VAL A 34 -6.084 -5.018 -2.115 1.00 0.00 O ATOM 490 CB VAL A 34 -3.308 -4.603 -1.122 1.00 0.00 C ATOM 491 CG1 VAL A 34 -2.511 -5.403 -2.154 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.378 -3.943 -0.102 1.00 0.00 C ATOM 0 H VAL A 34 -4.312 -2.699 0.102 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.563 -3.013 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.954 -5.298 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.885 -6.135 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.198 -5.918 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.880 -4.726 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.755 -4.704 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.743 -3.215 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.973 -3.439 0.660 1.00 0.00 H new ATOM 502 N VAL A 35 -5.413 -3.768 -3.877 1.00 0.00 N ATOM 503 CA VAL A 35 -6.439 -4.278 -4.771 1.00 0.00 C ATOM 504 C VAL A 35 -5.921 -5.537 -5.469 1.00 0.00 C ATOM 505 O VAL A 35 -6.664 -6.501 -5.648 1.00 0.00 O ATOM 506 CB VAL A 35 -6.868 -3.184 -5.751 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.607 -2.058 -5.026 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.667 -2.642 -6.528 1.00 0.00 C ATOM 0 H VAL A 35 -4.787 -3.080 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.330 -4.561 -4.210 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.557 -3.628 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.901 -1.294 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.496 -2.460 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.951 -1.617 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.000 -1.866 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.942 -2.222 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.202 -3.452 -7.090 1.00 0.00 H new ATOM 518 N GLY A 36 -4.652 -5.488 -5.844 1.00 0.00 N ATOM 519 CA GLY A 36 -4.026 -6.613 -6.518 1.00 0.00 C ATOM 520 C GLY A 36 -2.521 -6.649 -6.245 1.00 0.00 C ATOM 521 O GLY A 36 -2.045 -6.028 -5.296 1.00 0.00 O ATOM 0 H GLY A 36 -4.039 -4.686 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.483 -7.543 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.203 -6.542 -7.591 1.00 0.00 H new ATOM 525 N GLU A 37 -1.815 -7.381 -7.093 1.00 0.00 N ATOM 526 CA GLU A 37 -0.374 -7.506 -6.955 1.00 0.00 C ATOM 527 C GLU A 37 0.314 -7.215 -8.289 1.00 0.00 C ATOM 528 O GLU A 37 0.285 -8.040 -9.201 1.00 0.00 O ATOM 529 CB GLU A 37 0.008 -8.892 -6.432 1.00 0.00 C ATOM 530 CG GLU A 37 1.520 -9.111 -6.514 1.00 0.00 C ATOM 531 CD GLU A 37 1.843 -10.516 -7.029 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.912 -10.664 -8.268 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.014 -11.409 -6.171 1.00 0.00 O ATOM 0 H GLU A 37 -2.214 -7.894 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.033 -6.772 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.323 -8.999 -5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.506 -9.658 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.964 -8.366 -7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.966 -8.969 -5.529 1.00 0.00 H new ATOM 540 N VAL A 38 0.918 -6.037 -8.362 1.00 0.00 N ATOM 541 CA VAL A 38 1.614 -5.627 -9.570 1.00 0.00 C ATOM 542 C VAL A 38 2.713 -6.641 -9.891 1.00 0.00 C ATOM 543 O VAL A 38 2.715 -7.242 -10.964 1.00 0.00 O ATOM 544 CB VAL A 38 2.144 -4.201 -9.410 1.00 0.00 C ATOM 545 CG1 VAL A 38 0.997 -3.188 -9.387 1.00 0.00 C ATOM 546 CG2 VAL A 38 3.010 -4.076 -8.154 1.00 0.00 C ATOM 0 H VAL A 38 0.940 -5.354 -7.605 1.00 0.00 H new ATOM 0 HA VAL A 38 0.929 -5.612 -10.418 1.00 0.00 H new ATOM 0 HB VAL A 38 2.770 -3.978 -10.274 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.402 -2.182 -9.272 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.438 -3.250 -10.321 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.333 -3.409 -8.551 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.374 -3.053 -8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.416 -4.329 -7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.857 -4.758 -8.227 1.00 0.00 H new ATOM 556 N GLU A 39 3.623 -6.799 -8.940 1.00 0.00 N ATOM 557 CA GLU A 39 4.726 -7.730 -9.108 1.00 0.00 C ATOM 558 C GLU A 39 5.420 -7.977 -7.767 1.00 0.00 C ATOM 559 O GLU A 39 4.947 -7.525 -6.726 1.00 0.00 O ATOM 560 CB GLU A 39 5.719 -7.221 -10.154 1.00 0.00 C ATOM 561 CG GLU A 39 5.878 -5.702 -10.066 1.00 0.00 C ATOM 562 CD GLU A 39 6.739 -5.173 -11.215 1.00 0.00 C ATOM 563 OE1 GLU A 39 6.181 -5.031 -12.324 1.00 0.00 O ATOM 564 OE2 GLU A 39 7.937 -4.924 -10.957 1.00 0.00 O ATOM 0 H GLU A 39 3.619 -6.298 -8.051 1.00 0.00 H new ATOM 0 HA GLU A 39 4.325 -8.678 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.687 -7.701 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.376 -7.497 -11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.897 -5.228 -10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.334 -5.435 -9.113 1.00 0.00 H new ATOM 571 N GLU A 40 6.532 -8.695 -7.836 1.00 0.00 N ATOM 572 CA GLU A 40 7.297 -9.007 -6.641 1.00 0.00 C ATOM 573 C GLU A 40 7.983 -7.749 -6.105 1.00 0.00 C ATOM 574 O GLU A 40 8.748 -7.103 -6.820 1.00 0.00 O ATOM 575 CB GLU A 40 8.317 -10.113 -6.916 1.00 0.00 C ATOM 576 CG GLU A 40 8.560 -10.959 -5.664 1.00 0.00 C ATOM 577 CD GLU A 40 10.057 -11.104 -5.383 1.00 0.00 C ATOM 578 OE1 GLU A 40 10.643 -12.072 -5.914 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.581 -10.244 -4.643 1.00 0.00 O ATOM 0 H GLU A 40 6.921 -9.069 -8.701 1.00 0.00 H new ATOM 0 HA GLU A 40 6.609 -9.374 -5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.959 -10.749 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.256 -9.672 -7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.069 -10.497 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.114 -11.945 -5.794 1.00 0.00 H new ATOM 586 N GLY A 41 7.685 -7.438 -4.852 1.00 0.00 N ATOM 587 CA GLY A 41 8.263 -6.269 -4.213 1.00 0.00 C ATOM 588 C GLY A 41 7.377 -5.038 -4.416 1.00 0.00 C ATOM 589 O GLY A 41 7.664 -3.968 -3.882 1.00 0.00 O ATOM 0 H GLY A 41 7.050 -7.976 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.390 -6.458 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.255 -6.079 -4.623 1.00 0.00 H new ATOM 593 N TRP A 42 6.318 -5.232 -5.188 1.00 0.00 N ATOM 594 CA TRP A 42 5.388 -4.151 -5.468 1.00 0.00 C ATOM 595 C TRP A 42 3.970 -4.724 -5.419 1.00 0.00 C ATOM 596 O TRP A 42 3.784 -5.938 -5.479 1.00 0.00 O ATOM 597 CB TRP A 42 5.715 -3.478 -6.802 1.00 0.00 C ATOM 598 CG TRP A 42 7.017 -2.674 -6.791 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.273 -3.137 -6.732 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.140 -1.237 -6.842 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.192 -2.109 -6.742 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.482 -0.916 -6.811 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.150 -0.241 -6.912 1.00 0.00 C ATOM 604 CZ2 TRP A 42 8.956 0.401 -6.846 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.641 1.070 -6.946 1.00 0.00 C ATOM 606 CH2 TRP A 42 7.988 1.410 -6.915 1.00 0.00 C ATOM 0 H TRP A 42 6.083 -6.122 -5.628 1.00 0.00 H new ATOM 0 HA TRP A 42 5.473 -3.365 -4.718 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.778 -4.242 -7.577 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.893 -2.816 -7.074 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.533 -4.184 -6.683 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.207 -2.206 -6.705 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.095 -0.469 -6.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.012 0.626 -6.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.922 1.874 -7.000 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.287 2.447 -6.944 1.00 0.00 H new ATOM 617 N TRP A 43 3.006 -3.822 -5.310 1.00 0.00 N ATOM 618 CA TRP A 43 1.610 -4.221 -5.253 1.00 0.00 C ATOM 619 C TRP A 43 0.770 -3.096 -5.859 1.00 0.00 C ATOM 620 O TRP A 43 1.313 -2.104 -6.345 1.00 0.00 O ATOM 621 CB TRP A 43 1.198 -4.569 -3.821 1.00 0.00 C ATOM 622 CG TRP A 43 1.649 -5.958 -3.363 1.00 0.00 C ATOM 623 CD1 TRP A 43 1.973 -7.012 -4.124 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.813 -6.403 -2.000 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.332 -8.100 -3.355 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.232 -7.718 -2.022 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.614 -5.717 -0.789 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.488 -8.460 -0.863 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.875 -6.473 0.360 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.297 -7.797 0.355 1.00 0.00 C ATOM 0 H TRP A 43 3.164 -2.816 -5.260 1.00 0.00 H new ATOM 0 HA TRP A 43 1.445 -5.129 -5.833 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.612 -3.822 -3.143 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.113 -4.506 -3.741 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.955 -7.010 -5.204 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.618 -9.016 -3.701 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.286 -4.689 -0.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.815 -9.488 -0.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.739 -5.993 1.318 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.477 -8.312 1.287 1.00 0.00 H new ATOM 641 N GLU A 44 -0.540 -3.287 -5.813 1.00 0.00 N ATOM 642 CA GLU A 44 -1.460 -2.300 -6.352 1.00 0.00 C ATOM 643 C GLU A 44 -2.616 -2.064 -5.378 1.00 0.00 C ATOM 644 O GLU A 44 -3.354 -2.991 -5.047 1.00 0.00 O ATOM 645 CB GLU A 44 -1.980 -2.727 -7.726 1.00 0.00 C ATOM 646 CG GLU A 44 -2.329 -1.509 -8.583 1.00 0.00 C ATOM 647 CD GLU A 44 -1.631 -1.578 -9.943 1.00 0.00 C ATOM 648 OE1 GLU A 44 -1.871 -2.577 -10.655 1.00 0.00 O ATOM 649 OE2 GLU A 44 -0.873 -0.629 -10.240 1.00 0.00 O ATOM 0 H GLU A 44 -0.987 -4.111 -5.411 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.921 -1.362 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.226 -3.329 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.862 -3.356 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.408 -1.458 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.033 -0.598 -8.064 1.00 0.00 H new ATOM 656 N GLY A 45 -2.738 -0.817 -4.945 1.00 0.00 N ATOM 657 CA GLY A 45 -3.792 -0.448 -4.015 1.00 0.00 C ATOM 658 C GLY A 45 -4.218 1.007 -4.220 1.00 0.00 C ATOM 659 O GLY A 45 -3.802 1.650 -5.182 1.00 0.00 O ATOM 0 H GLY A 45 -2.125 -0.050 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.651 -1.105 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.445 -0.588 -2.991 1.00 0.00 H new ATOM 663 N VAL A 46 -5.042 1.484 -3.299 1.00 0.00 N ATOM 664 CA VAL A 46 -5.529 2.852 -3.366 1.00 0.00 C ATOM 665 C VAL A 46 -4.916 3.663 -2.223 1.00 0.00 C ATOM 666 O VAL A 46 -4.398 3.096 -1.262 1.00 0.00 O ATOM 667 CB VAL A 46 -7.059 2.864 -3.354 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.592 4.112 -2.648 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.619 2.755 -4.774 1.00 0.00 C ATOM 0 H VAL A 46 -5.385 0.948 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.221 3.322 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.397 1.993 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.682 4.096 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.235 4.128 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.240 5.003 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.708 2.766 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.268 3.598 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.280 1.824 -5.228 1.00 0.00 H new ATOM 679 N LEU A 47 -4.997 4.978 -2.364 1.00 0.00 N ATOM 680 CA LEU A 47 -4.456 5.874 -1.355 1.00 0.00 C ATOM 681 C LEU A 47 -5.312 7.140 -1.293 1.00 0.00 C ATOM 682 O LEU A 47 -5.313 7.939 -2.228 1.00 0.00 O ATOM 683 CB LEU A 47 -2.974 6.145 -1.618 1.00 0.00 C ATOM 684 CG LEU A 47 -2.277 7.080 -0.628 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.204 6.449 0.764 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.897 7.494 -1.142 1.00 0.00 C ATOM 0 H LEU A 47 -5.429 5.445 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.500 5.410 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.446 5.192 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.874 6.567 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.873 7.988 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.704 7.134 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.212 6.247 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.644 5.516 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.424 8.158 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.279 6.607 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.004 8.012 -2.095 1.00 0.00 H new ATOM 698 N ASN A 48 -6.019 7.285 -0.182 1.00 0.00 N ATOM 699 CA ASN A 48 -6.877 8.441 0.015 1.00 0.00 C ATOM 700 C ASN A 48 -7.741 8.647 -1.231 1.00 0.00 C ATOM 701 O ASN A 48 -8.213 9.753 -1.487 1.00 0.00 O ATOM 702 CB ASN A 48 -6.050 9.710 0.232 1.00 0.00 C ATOM 703 CG ASN A 48 -5.400 10.170 -1.074 1.00 0.00 C ATOM 704 OD1 ASN A 48 -6.060 10.560 -2.023 1.00 0.00 O ATOM 705 ND2 ASN A 48 -4.071 10.104 -1.070 1.00 0.00 N ATOM 0 H ASN A 48 -6.015 6.620 0.592 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.494 8.258 0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.688 10.502 0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.279 9.523 0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.544 10.390 -1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.580 9.768 -0.242 1.00 0.00 H new ATOM 712 N GLY A 49 -7.922 7.563 -1.972 1.00 0.00 N ATOM 713 CA GLY A 49 -8.721 7.612 -3.185 1.00 0.00 C ATOM 714 C GLY A 49 -7.848 7.409 -4.425 1.00 0.00 C ATOM 715 O GLY A 49 -8.295 6.833 -5.416 1.00 0.00 O ATOM 0 H GLY A 49 -7.529 6.647 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.492 6.842 -3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.233 8.572 -3.249 1.00 0.00 H new ATOM 719 N LYS A 50 -6.619 7.893 -4.330 1.00 0.00 N ATOM 720 CA LYS A 50 -5.679 7.772 -5.431 1.00 0.00 C ATOM 721 C LYS A 50 -5.328 6.297 -5.637 1.00 0.00 C ATOM 722 O LYS A 50 -5.706 5.447 -4.832 1.00 0.00 O ATOM 723 CB LYS A 50 -4.461 8.667 -5.198 1.00 0.00 C ATOM 724 CG LYS A 50 -3.780 9.024 -6.521 1.00 0.00 C ATOM 725 CD LYS A 50 -3.459 10.518 -6.587 1.00 0.00 C ATOM 726 CE LYS A 50 -1.948 10.755 -6.585 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.389 10.528 -5.233 1.00 0.00 N ATOM 0 H LYS A 50 -6.252 8.370 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.132 8.125 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.768 9.579 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.751 8.158 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.862 8.446 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.429 8.751 -7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.897 10.948 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.912 11.029 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.468 10.087 -7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.733 11.774 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.362 10.693 -5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.834 11.183 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.577 9.548 -4.940 1.00 0.00 H new ATOM 741 N THR A 51 -4.608 6.038 -6.719 1.00 0.00 N ATOM 742 CA THR A 51 -4.202 4.681 -7.040 1.00 0.00 C ATOM 743 C THR A 51 -2.770 4.666 -7.580 1.00 0.00 C ATOM 744 O THR A 51 -2.234 5.708 -7.954 1.00 0.00 O ATOM 745 CB THR A 51 -5.225 4.099 -8.017 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.218 3.518 -7.175 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.670 2.914 -8.810 1.00 0.00 C ATOM 0 H THR A 51 -4.296 6.745 -7.384 1.00 0.00 H new ATOM 0 HA THR A 51 -4.187 4.052 -6.150 1.00 0.00 H new ATOM 0 HB THR A 51 -5.550 4.877 -8.707 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.922 3.118 -7.727 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.437 2.539 -9.488 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.802 3.236 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.375 2.122 -8.122 1.00 0.00 H new ATOM 755 N GLY A 52 -2.192 3.474 -7.603 1.00 0.00 N ATOM 756 CA GLY A 52 -0.833 3.310 -8.091 1.00 0.00 C ATOM 757 C GLY A 52 -0.176 2.072 -7.478 1.00 0.00 C ATOM 758 O GLY A 52 -0.760 1.418 -6.615 1.00 0.00 O ATOM 0 H GLY A 52 -2.640 2.612 -7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.841 3.221 -9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.246 4.196 -7.848 1.00 0.00 H new ATOM 762 N MET A 53 1.029 1.788 -7.948 1.00 0.00 N ATOM 763 CA MET A 53 1.772 0.640 -7.457 1.00 0.00 C ATOM 764 C MET A 53 2.845 1.069 -6.453 1.00 0.00 C ATOM 765 O MET A 53 3.660 1.942 -6.746 1.00 0.00 O ATOM 766 CB MET A 53 2.433 -0.082 -8.633 1.00 0.00 C ATOM 767 CG MET A 53 3.073 0.917 -9.600 1.00 0.00 C ATOM 768 SD MET A 53 4.532 0.202 -10.339 1.00 0.00 S ATOM 769 CE MET A 53 3.805 -1.207 -11.159 1.00 0.00 C ATOM 0 H MET A 53 1.510 2.333 -8.664 1.00 0.00 H new ATOM 0 HA MET A 53 1.076 -0.030 -6.952 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.192 -0.771 -8.261 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.690 -0.680 -9.161 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.359 1.192 -10.377 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.335 1.832 -9.069 1.00 0.00 H new ATOM 0 HE1 MET A 53 4.220 -1.298 -12.163 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.025 -2.112 -10.592 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.725 -1.073 -11.223 1.00 0.00 H new ATOM 779 N PHE A 54 2.809 0.435 -5.290 1.00 0.00 N ATOM 780 CA PHE A 54 3.767 0.740 -4.242 1.00 0.00 C ATOM 781 C PHE A 54 4.550 -0.510 -3.834 1.00 0.00 C ATOM 782 O PHE A 54 4.103 -1.631 -4.069 1.00 0.00 O ATOM 783 CB PHE A 54 2.968 1.242 -3.038 1.00 0.00 C ATOM 784 CG PHE A 54 2.082 0.176 -2.391 1.00 0.00 C ATOM 785 CD1 PHE A 54 0.891 -0.155 -2.959 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.484 -0.441 -1.248 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.068 -1.144 -2.359 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.661 -1.430 -0.647 1.00 0.00 C ATOM 789 CZ PHE A 54 0.471 -1.761 -1.215 1.00 0.00 C ATOM 0 H PHE A 54 2.131 -0.289 -5.051 1.00 0.00 H new ATOM 0 HA PHE A 54 4.481 1.484 -4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.661 1.627 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.343 2.077 -3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.571 0.335 -3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.430 -0.179 -0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.877 -1.407 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.980 -1.919 0.261 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.155 -2.514 -0.758 1.00 0.00 H new ATOM 799 N PRO A 55 5.737 -0.268 -3.215 1.00 0.00 N ATOM 800 CA PRO A 55 6.586 -1.361 -2.772 1.00 0.00 C ATOM 801 C PRO A 55 6.022 -2.018 -1.511 1.00 0.00 C ATOM 802 O PRO A 55 5.702 -1.333 -0.540 1.00 0.00 O ATOM 803 CB PRO A 55 7.953 -0.733 -2.554 1.00 0.00 C ATOM 804 CG PRO A 55 7.710 0.763 -2.433 1.00 0.00 C ATOM 805 CD PRO A 55 6.299 1.047 -2.920 1.00 0.00 C ATOM 0 HA PRO A 55 6.645 -2.170 -3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.424 -1.126 -1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.622 -0.954 -3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.829 1.087 -1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.437 1.317 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.715 1.566 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.306 1.682 -3.806 1.00 0.00 H new ATOM 813 N SER A 56 5.917 -3.337 -1.566 1.00 0.00 N ATOM 814 CA SER A 56 5.396 -4.094 -0.440 1.00 0.00 C ATOM 815 C SER A 56 6.515 -4.371 0.567 1.00 0.00 C ATOM 816 O SER A 56 6.328 -5.131 1.515 1.00 0.00 O ATOM 817 CB SER A 56 4.764 -5.408 -0.904 1.00 0.00 C ATOM 818 OG SER A 56 5.739 -6.424 -1.117 1.00 0.00 O ATOM 0 H SER A 56 6.184 -3.901 -2.373 1.00 0.00 H new ATOM 0 HA SER A 56 4.620 -3.499 0.042 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.044 -5.747 -0.159 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.210 -5.238 -1.827 1.00 0.00 H new ATOM 0 HG SER A 56 5.295 -7.247 -1.411 1.00 0.00 H new ATOM 824 N ASN A 57 7.654 -3.739 0.325 1.00 0.00 N ATOM 825 CA ASN A 57 8.803 -3.907 1.199 1.00 0.00 C ATOM 826 C ASN A 57 8.990 -2.642 2.039 1.00 0.00 C ATOM 827 O ASN A 57 10.091 -2.363 2.511 1.00 0.00 O ATOM 828 CB ASN A 57 10.082 -4.130 0.389 1.00 0.00 C ATOM 829 CG ASN A 57 11.086 -4.978 1.173 1.00 0.00 C ATOM 830 OD1 ASN A 57 11.648 -4.557 2.171 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.280 -6.192 0.667 1.00 0.00 N ATOM 0 H ASN A 57 7.806 -3.110 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 57 8.621 -4.775 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.839 -4.624 -0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.530 -3.169 0.138 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.932 -6.834 1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.777 -6.481 -0.172 1.00 0.00 H new ATOM 838 N PHE A 58 7.897 -1.910 2.199 1.00 0.00 N ATOM 839 CA PHE A 58 7.926 -0.681 2.974 1.00 0.00 C ATOM 840 C PHE A 58 6.562 -0.399 3.607 1.00 0.00 C ATOM 841 O PHE A 58 6.153 0.755 3.719 1.00 0.00 O ATOM 842 CB PHE A 58 8.270 0.451 2.004 1.00 0.00 C ATOM 843 CG PHE A 58 9.758 0.549 1.664 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.662 0.828 2.641 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.177 0.357 0.384 1.00 0.00 C ATOM 846 CE1 PHE A 58 12.044 0.919 2.325 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.559 0.448 0.069 1.00 0.00 C ATOM 848 CZ PHE A 58 12.463 0.727 1.046 1.00 0.00 C ATOM 0 H PHE A 58 6.986 -2.144 1.805 1.00 0.00 H new ATOM 0 HA PHE A 58 8.658 -0.765 3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.706 0.310 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.943 1.397 2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.329 0.980 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.459 0.136 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.762 1.141 3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.892 0.296 -0.947 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.514 0.796 0.806 1.00 0.00 H new ATOM 858 N ILE A 59 5.896 -1.474 4.003 1.00 0.00 N ATOM 859 CA ILE A 59 4.586 -1.356 4.621 1.00 0.00 C ATOM 860 C ILE A 59 4.473 -2.368 5.762 1.00 0.00 C ATOM 861 O ILE A 59 5.455 -3.015 6.123 1.00 0.00 O ATOM 862 CB ILE A 59 3.483 -1.490 3.569 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.744 -2.684 2.649 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.314 -0.188 2.783 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.236 -3.983 3.280 1.00 0.00 C ATOM 0 H ILE A 59 6.239 -2.430 3.908 1.00 0.00 H new ATOM 0 HA ILE A 59 4.459 -0.366 5.058 1.00 0.00 H new ATOM 0 HB ILE A 59 2.542 -1.680 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.251 -2.524 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.812 -2.766 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.524 -0.310 2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.048 0.618 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.249 0.057 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.434 -4.816 2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.749 -4.152 4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.163 -3.906 3.457 1.00 0.00 H new ATOM 877 N LYS A 60 3.266 -2.474 6.300 1.00 0.00 N ATOM 878 CA LYS A 60 3.012 -3.397 7.393 1.00 0.00 C ATOM 879 C LYS A 60 1.568 -3.896 7.308 1.00 0.00 C ATOM 880 O LYS A 60 0.635 -3.165 7.634 1.00 0.00 O ATOM 881 CB LYS A 60 3.360 -2.748 8.734 1.00 0.00 C ATOM 882 CG LYS A 60 2.611 -1.426 8.914 1.00 0.00 C ATOM 883 CD LYS A 60 3.111 -0.677 10.151 1.00 0.00 C ATOM 884 CE LYS A 60 2.889 0.830 10.006 1.00 0.00 C ATOM 885 NZ LYS A 60 3.526 1.558 11.126 1.00 0.00 N ATOM 0 H LYS A 60 2.454 -1.936 5.999 1.00 0.00 H new ATOM 0 HA LYS A 60 3.658 -4.271 7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.106 -3.428 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.434 -2.572 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.745 -0.804 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.542 -1.619 9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.590 -1.041 11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.172 -0.879 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.303 1.175 9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.821 1.046 9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.366 2.579 11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.112 1.241 12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.548 1.366 11.128 1.00 0.00 H new ATOM 899 N GLU A 61 1.430 -5.138 6.867 1.00 0.00 N ATOM 900 CA GLU A 61 0.116 -5.744 6.735 1.00 0.00 C ATOM 901 C GLU A 61 -0.687 -5.556 8.024 1.00 0.00 C ATOM 902 O GLU A 61 -0.152 -5.095 9.031 1.00 0.00 O ATOM 903 CB GLU A 61 0.229 -7.225 6.370 1.00 0.00 C ATOM 904 CG GLU A 61 0.619 -8.062 7.590 1.00 0.00 C ATOM 905 CD GLU A 61 0.603 -9.556 7.259 1.00 0.00 C ATOM 906 OE1 GLU A 61 1.619 -10.024 6.700 1.00 0.00 O ATOM 907 OE2 GLU A 61 -0.424 -10.195 7.571 1.00 0.00 O ATOM 0 H GLU A 61 2.207 -5.741 6.597 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.413 -5.244 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.722 -7.578 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.973 -7.354 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.613 -7.772 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.071 -7.860 8.409 1.00 0.00 H new ATOM 914 N LEU A 62 -1.958 -5.923 7.950 1.00 0.00 N ATOM 915 CA LEU A 62 -2.840 -5.801 9.098 1.00 0.00 C ATOM 916 C LEU A 62 -3.805 -6.987 9.123 1.00 0.00 C ATOM 917 O LEU A 62 -4.286 -7.422 8.078 1.00 0.00 O ATOM 918 CB LEU A 62 -3.538 -4.439 9.095 1.00 0.00 C ATOM 919 CG LEU A 62 -2.633 -3.221 8.899 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.425 -2.032 8.353 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.895 -2.873 10.193 1.00 0.00 C ATOM 0 H LEU A 62 -2.398 -6.305 7.113 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.267 -5.837 10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.289 -4.440 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.070 -4.323 10.040 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.877 -3.473 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.758 -1.180 8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.865 -2.298 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.217 -1.769 9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.259 -2.004 10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.619 -2.648 10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.280 -3.719 10.500 1.00 0.00 H new ATOM 933 N SER A 63 -4.060 -7.477 10.327 1.00 0.00 N ATOM 934 CA SER A 63 -4.960 -8.605 10.502 1.00 0.00 C ATOM 935 C SER A 63 -6.201 -8.168 11.281 1.00 0.00 C ATOM 936 O SER A 63 -6.128 -7.919 12.484 1.00 0.00 O ATOM 937 CB SER A 63 -4.261 -9.760 11.221 1.00 0.00 C ATOM 938 OG SER A 63 -3.490 -10.558 10.326 1.00 0.00 O ATOM 0 H SER A 63 -3.659 -7.114 11.192 1.00 0.00 H new ATOM 0 HA SER A 63 -5.264 -8.957 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.613 -9.362 12.002 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.006 -10.385 11.713 1.00 0.00 H new ATOM 0 HG SER A 63 -3.058 -11.283 10.824 1.00 0.00 H new ATOM 944 N GLY A 64 -7.313 -8.088 10.565 1.00 0.00 N ATOM 945 CA GLY A 64 -8.569 -7.685 11.174 1.00 0.00 C ATOM 946 C GLY A 64 -8.850 -8.498 12.439 1.00 0.00 C ATOM 947 O GLY A 64 -8.048 -9.347 12.827 1.00 0.00 O ATOM 0 H GLY A 64 -7.370 -8.296 9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.534 -6.624 11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.383 -7.821 10.462 1.00 0.00 H new ATOM 951 N PRO A 65 -10.022 -8.203 13.064 1.00 0.00 N ATOM 952 CA PRO A 65 -10.418 -8.897 14.277 1.00 0.00 C ATOM 953 C PRO A 65 -10.902 -10.315 13.965 1.00 0.00 C ATOM 954 O PRO A 65 -10.421 -11.283 14.553 1.00 0.00 O ATOM 955 CB PRO A 65 -11.498 -8.024 14.895 1.00 0.00 C ATOM 956 CG PRO A 65 -11.993 -7.120 13.777 1.00 0.00 C ATOM 957 CD PRO A 65 -10.996 -7.205 12.633 1.00 0.00 C ATOM 0 HA PRO A 65 -9.590 -9.035 14.972 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.310 -8.631 15.295 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.100 -7.438 15.724 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.983 -7.431 13.444 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.084 -6.092 14.129 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.483 -7.502 11.704 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.521 -6.241 12.449 1.00 0.00 H new ATOM 965 N SER A 66 -11.847 -10.393 13.040 1.00 0.00 N ATOM 966 CA SER A 66 -12.401 -11.676 12.642 1.00 0.00 C ATOM 967 C SER A 66 -12.932 -11.596 11.210 1.00 0.00 C ATOM 968 O SER A 66 -12.505 -12.357 10.342 1.00 0.00 O ATOM 969 CB SER A 66 -13.514 -12.115 13.596 1.00 0.00 C ATOM 970 OG SER A 66 -14.227 -13.245 13.101 1.00 0.00 O ATOM 0 H SER A 66 -12.243 -9.588 12.554 1.00 0.00 H new ATOM 0 HA SER A 66 -11.606 -12.420 12.687 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.084 -12.355 14.568 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.207 -11.288 13.749 1.00 0.00 H new ATOM 0 HG SER A 66 -14.928 -13.495 13.739 1.00 0.00 H new ATOM 976 N SER A 67 -13.855 -10.667 11.005 1.00 0.00 N ATOM 977 CA SER A 67 -14.448 -10.478 9.693 1.00 0.00 C ATOM 978 C SER A 67 -15.210 -11.737 9.276 1.00 0.00 C ATOM 979 O SER A 67 -14.613 -12.695 8.787 1.00 0.00 O ATOM 980 CB SER A 67 -13.381 -10.134 8.651 1.00 0.00 C ATOM 981 OG SER A 67 -13.185 -8.727 8.533 1.00 0.00 O ATOM 0 H SER A 67 -14.206 -10.037 11.726 1.00 0.00 H new ATOM 0 HA SER A 67 -15.145 -9.642 9.750 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.439 -10.610 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.674 -10.542 7.684 1.00 0.00 H new ATOM 0 HG SER A 67 -12.496 -8.548 7.860 1.00 0.00 H new ATOM 987 N GLY A 68 -16.518 -11.695 9.484 1.00 0.00 N ATOM 988 CA GLY A 68 -17.368 -12.821 9.137 1.00 0.00 C ATOM 989 C GLY A 68 -18.390 -13.098 10.241 1.00 0.00 C ATOM 990 O GLY A 68 -19.456 -13.652 9.980 1.00 0.00 O ATOM 0 H GLY A 68 -17.010 -10.898 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.886 -12.615 8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.755 -13.707 8.974 1.00 0.00 H new TER 994 GLY A 68