USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot 152:sc= -1.29! USER MOD Set 1.2: A 18 SER OG : rot 121:sc= 0.795 USER MOD Single : A 9 THR OG1 : rot -13:sc= 0.775 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -44:sc= -0.923! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0566 X(o=-0.057,f=-0.095) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 37 ASN : amide:sc= -2.79! C(o=-2.8!,f=-10!) USER MOD Single : A 38 THR OG1 : rot -144:sc= -0.755 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.146 F(o=-2.2,f=-0.15) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -65:sc= -3.55! USER MOD Single : A 59 ASN : amide:sc= 0.14 X(o=0.14,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.891 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 15.913 14.073 -4.023 1.00 0.00 N ATOM 2 CA THR A 9 15.421 13.528 -2.726 1.00 0.00 C ATOM 3 C THR A 9 14.183 12.664 -2.972 1.00 0.00 C ATOM 4 O THR A 9 13.063 13.109 -2.821 1.00 0.00 O ATOM 5 CB THR A 9 15.062 14.686 -1.790 1.00 0.00 C ATOM 6 OG1 THR A 9 15.389 15.918 -2.416 1.00 0.00 O ATOM 7 CG2 THR A 9 15.848 14.550 -0.485 1.00 0.00 C ATOM 0 HA THR A 9 16.201 12.920 -2.267 1.00 0.00 H new ATOM 0 HB THR A 9 13.994 14.661 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.950 15.747 -3.201 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.593 15.374 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.596 13.604 -0.005 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.916 14.575 -0.699 1.00 0.00 H new ATOM 17 N PHE A 10 14.379 11.431 -3.351 1.00 0.00 N ATOM 18 CA PHE A 10 13.217 10.533 -3.609 1.00 0.00 C ATOM 19 C PHE A 10 12.844 9.800 -2.316 1.00 0.00 C ATOM 20 O PHE A 10 13.255 10.181 -1.238 1.00 0.00 O ATOM 21 CB PHE A 10 13.596 9.521 -4.694 1.00 0.00 C ATOM 22 CG PHE A 10 13.432 10.168 -6.071 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.857 11.466 -6.290 1.00 0.00 C ATOM 24 CD2 PHE A 10 12.861 9.462 -7.116 1.00 0.00 C ATOM 25 CE1 PHE A 10 13.713 12.049 -7.533 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.719 10.046 -8.358 1.00 0.00 C ATOM 27 CZ PHE A 10 13.145 11.338 -8.567 1.00 0.00 C ATOM 0 H PHE A 10 15.295 11.006 -3.493 1.00 0.00 H new ATOM 0 HA PHE A 10 12.362 11.119 -3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.625 9.191 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.964 8.636 -4.618 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.305 12.027 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.525 8.448 -6.958 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.046 13.064 -7.695 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.273 9.488 -9.168 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.034 11.793 -9.540 1.00 0.00 H new ATOM 37 N VAL A 11 12.068 8.752 -2.410 1.00 0.00 N ATOM 38 CA VAL A 11 11.675 8.004 -1.183 1.00 0.00 C ATOM 39 C VAL A 11 11.599 6.513 -1.509 1.00 0.00 C ATOM 40 O VAL A 11 10.861 6.098 -2.378 1.00 0.00 O ATOM 41 CB VAL A 11 10.308 8.494 -0.703 1.00 0.00 C ATOM 42 CG1 VAL A 11 9.773 7.542 0.370 1.00 0.00 C ATOM 43 CG2 VAL A 11 10.449 9.900 -0.114 1.00 0.00 C ATOM 0 H VAL A 11 11.691 8.383 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 11 12.413 8.170 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 11 9.615 8.520 -1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.799 7.891 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.673 6.541 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.465 7.516 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.475 10.250 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.142 9.874 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.830 10.578 -0.878 1.00 0.00 H new ATOM 53 N ALA A 12 12.355 5.703 -0.817 1.00 0.00 N ATOM 54 CA ALA A 12 12.323 4.239 -1.092 1.00 0.00 C ATOM 55 C ALA A 12 10.939 3.675 -0.763 1.00 0.00 C ATOM 56 O ALA A 12 10.693 3.210 0.332 1.00 0.00 O ATOM 57 CB ALA A 12 13.373 3.536 -0.231 1.00 0.00 C ATOM 0 H ALA A 12 12.992 5.992 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 12 12.538 4.070 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.350 2.465 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.361 3.929 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.157 3.712 0.823 1.00 0.00 H new ATOM 63 N LEU A 13 10.032 3.719 -1.703 1.00 0.00 N ATOM 64 CA LEU A 13 8.664 3.185 -1.450 1.00 0.00 C ATOM 65 C LEU A 13 8.766 1.867 -0.685 1.00 0.00 C ATOM 66 O LEU A 13 8.017 1.611 0.236 1.00 0.00 O ATOM 67 CB LEU A 13 7.969 2.919 -2.785 1.00 0.00 C ATOM 68 CG LEU A 13 7.240 4.174 -3.258 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.531 3.866 -4.577 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.210 4.596 -2.209 1.00 0.00 C ATOM 0 H LEU A 13 10.181 4.103 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 13 8.096 3.912 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.703 2.613 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.261 2.097 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 13 7.955 4.984 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.006 4.756 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.266 3.563 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.815 3.059 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.691 5.492 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.489 3.792 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.716 4.805 -1.266 1.00 0.00 H new ATOM 82 N TYR A 14 9.690 1.026 -1.064 1.00 0.00 N ATOM 83 CA TYR A 14 9.841 -0.278 -0.362 1.00 0.00 C ATOM 84 C TYR A 14 11.311 -0.518 -0.023 1.00 0.00 C ATOM 85 O TYR A 14 12.183 0.228 -0.423 1.00 0.00 O ATOM 86 CB TYR A 14 9.353 -1.398 -1.277 1.00 0.00 C ATOM 87 CG TYR A 14 7.859 -1.222 -1.543 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.423 -0.393 -2.555 1.00 0.00 C ATOM 89 CD2 TYR A 14 6.929 -1.894 -0.780 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.074 -0.238 -2.801 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.579 -1.741 -1.026 1.00 0.00 C ATOM 92 CZ TYR A 14 5.142 -0.912 -2.039 1.00 0.00 C ATOM 93 OH TYR A 14 3.793 -0.762 -2.287 1.00 0.00 O ATOM 0 H TYR A 14 10.346 1.186 -1.829 1.00 0.00 H new ATOM 0 HA TYR A 14 9.255 -0.262 0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.905 -1.381 -2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.539 -2.367 -0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.143 0.139 -3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.258 -2.545 0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.745 0.416 -3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.860 -2.274 -0.421 1.00 0.00 H new ATOM 0 HH TYR A 14 3.281 -1.311 -1.656 1.00 0.00 H new ATOM 103 N ASP A 15 11.589 -1.556 0.715 1.00 0.00 N ATOM 104 CA ASP A 15 12.999 -1.853 1.083 1.00 0.00 C ATOM 105 C ASP A 15 13.641 -2.695 -0.021 1.00 0.00 C ATOM 106 O ASP A 15 14.040 -3.820 0.205 1.00 0.00 O ATOM 107 CB ASP A 15 13.028 -2.631 2.400 1.00 0.00 C ATOM 108 CG ASP A 15 12.066 -3.818 2.312 1.00 0.00 C ATOM 109 OD1 ASP A 15 11.890 -4.334 1.220 1.00 0.00 O ATOM 110 OD2 ASP A 15 11.522 -4.192 3.338 1.00 0.00 O ATOM 0 H ASP A 15 10.898 -2.212 1.079 1.00 0.00 H new ATOM 0 HA ASP A 15 13.552 -0.921 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.039 -2.983 2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.744 -1.979 3.226 1.00 0.00 H new ATOM 115 N TYR A 16 13.719 -2.154 -1.215 1.00 0.00 N ATOM 116 CA TYR A 16 14.331 -2.890 -2.370 1.00 0.00 C ATOM 117 C TYR A 16 15.383 -3.890 -1.876 1.00 0.00 C ATOM 118 O TYR A 16 16.386 -3.519 -1.301 1.00 0.00 O ATOM 119 CB TYR A 16 14.995 -1.878 -3.307 1.00 0.00 C ATOM 120 CG TYR A 16 15.862 -2.612 -4.334 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.367 -3.704 -5.017 1.00 0.00 C ATOM 122 CD2 TYR A 16 17.147 -2.184 -4.597 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.147 -4.360 -5.947 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.928 -2.840 -5.527 1.00 0.00 C ATOM 125 CZ TYR A 16 17.433 -3.933 -6.210 1.00 0.00 C ATOM 126 OH TYR A 16 18.213 -4.590 -7.140 1.00 0.00 O ATOM 0 H TYR A 16 13.379 -1.219 -1.442 1.00 0.00 H new ATOM 0 HA TYR A 16 13.550 -3.438 -2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.234 -1.287 -3.816 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.607 -1.183 -2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.362 -4.048 -4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.545 -1.329 -4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.748 -5.214 -6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.933 -2.496 -5.722 1.00 0.00 H new ATOM 0 HH TYR A 16 18.860 -3.963 -7.525 1.00 0.00 H new ATOM 136 N GLU A 17 15.155 -5.158 -2.100 1.00 0.00 N ATOM 137 CA GLU A 17 16.136 -6.188 -1.648 1.00 0.00 C ATOM 138 C GLU A 17 16.571 -7.036 -2.847 1.00 0.00 C ATOM 139 O GLU A 17 16.028 -8.094 -3.101 1.00 0.00 O ATOM 140 CB GLU A 17 15.475 -7.088 -0.601 1.00 0.00 C ATOM 141 CG GLU A 17 16.510 -8.064 -0.037 1.00 0.00 C ATOM 142 CD GLU A 17 15.865 -9.439 0.153 1.00 0.00 C ATOM 143 OE1 GLU A 17 15.132 -9.599 1.116 1.00 0.00 O ATOM 144 OE2 GLU A 17 16.115 -10.307 -0.667 1.00 0.00 O ATOM 0 H GLU A 17 14.331 -5.525 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 17 17.008 -5.699 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.056 -6.482 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.648 -7.638 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.361 -8.140 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 17 16.892 -7.695 0.915 1.00 0.00 H new ATOM 151 N SER A 18 17.549 -6.583 -3.583 1.00 0.00 N ATOM 152 CA SER A 18 18.019 -7.363 -4.765 1.00 0.00 C ATOM 153 C SER A 18 18.639 -8.683 -4.303 1.00 0.00 C ATOM 154 O SER A 18 18.944 -8.867 -3.141 1.00 0.00 O ATOM 155 CB SER A 18 19.068 -6.553 -5.526 1.00 0.00 C ATOM 156 OG SER A 18 18.935 -6.796 -6.919 1.00 0.00 O ATOM 0 H SER A 18 18.043 -5.706 -3.418 1.00 0.00 H new ATOM 0 HA SER A 18 17.170 -7.571 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 18 18.944 -5.490 -5.318 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.068 -6.828 -5.192 1.00 0.00 H new ATOM 0 HG SER A 18 18.753 -5.952 -7.382 1.00 0.00 H new ATOM 162 N ARG A 19 18.827 -9.604 -5.208 1.00 0.00 N ATOM 163 CA ARG A 19 19.428 -10.915 -4.831 1.00 0.00 C ATOM 164 C ARG A 19 20.947 -10.837 -4.995 1.00 0.00 C ATOM 165 O ARG A 19 21.688 -11.566 -4.366 1.00 0.00 O ATOM 166 CB ARG A 19 18.872 -12.013 -5.740 1.00 0.00 C ATOM 167 CG ARG A 19 17.344 -12.031 -5.645 1.00 0.00 C ATOM 168 CD ARG A 19 16.871 -13.444 -5.296 1.00 0.00 C ATOM 169 NE ARG A 19 15.770 -13.366 -4.294 1.00 0.00 N ATOM 170 CZ ARG A 19 14.585 -12.955 -4.656 1.00 0.00 C ATOM 171 NH1 ARG A 19 14.362 -11.682 -4.835 1.00 0.00 N ATOM 172 NH2 ARG A 19 13.623 -13.818 -4.837 1.00 0.00 N ATOM 0 H ARG A 19 18.590 -9.505 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 19 19.182 -11.146 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.181 -11.837 -6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.276 -12.982 -5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.008 -11.325 -4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.906 -11.713 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.524 -13.955 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.700 -14.028 -4.897 1.00 0.00 H new ATOM 0 HE ARG A 19 15.943 -13.634 -3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.114 -11.008 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.436 -11.361 -5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.797 -14.813 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.697 -13.498 -5.120 1.00 0.00 H new ATOM 186 N THR A 20 21.418 -9.957 -5.837 1.00 0.00 N ATOM 187 CA THR A 20 22.888 -9.831 -6.045 1.00 0.00 C ATOM 188 C THR A 20 23.425 -8.674 -5.201 1.00 0.00 C ATOM 189 O THR A 20 22.687 -7.807 -4.774 1.00 0.00 O ATOM 190 CB THR A 20 23.174 -9.556 -7.523 1.00 0.00 C ATOM 191 OG1 THR A 20 21.946 -9.474 -8.234 1.00 0.00 O ATOM 192 CG2 THR A 20 24.025 -10.688 -8.099 1.00 0.00 C ATOM 0 H THR A 20 20.846 -9.319 -6.391 1.00 0.00 H new ATOM 0 HA THR A 20 23.377 -10.758 -5.746 1.00 0.00 H new ATOM 0 HB THR A 20 23.714 -8.614 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 20 22.127 -9.296 -9.181 1.00 0.00 H new ATOM 0 HG21 THR A 20 24.228 -10.491 -9.152 1.00 0.00 H new ATOM 0 HG22 THR A 20 24.966 -10.749 -7.553 1.00 0.00 H new ATOM 0 HG23 THR A 20 23.488 -11.632 -8.003 1.00 0.00 H new ATOM 200 N GLU A 21 24.707 -8.650 -4.957 1.00 0.00 N ATOM 201 CA GLU A 21 25.291 -7.550 -4.142 1.00 0.00 C ATOM 202 C GLU A 21 25.710 -6.397 -5.057 1.00 0.00 C ATOM 203 O GLU A 21 26.409 -5.492 -4.649 1.00 0.00 O ATOM 204 CB GLU A 21 26.517 -8.069 -3.387 1.00 0.00 C ATOM 205 CG GLU A 21 26.943 -7.038 -2.339 1.00 0.00 C ATOM 206 CD GLU A 21 28.332 -6.499 -2.690 1.00 0.00 C ATOM 207 OE1 GLU A 21 28.566 -6.239 -3.858 1.00 0.00 O ATOM 208 OE2 GLU A 21 29.136 -6.354 -1.784 1.00 0.00 O ATOM 0 H GLU A 21 25.375 -9.346 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 21 24.546 -7.195 -3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 21 26.286 -9.019 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 21 27.335 -8.255 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.222 -6.221 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 21 26.957 -7.494 -1.349 1.00 0.00 H new ATOM 215 N THR A 22 25.289 -6.422 -6.292 1.00 0.00 N ATOM 216 CA THR A 22 25.665 -5.324 -7.227 1.00 0.00 C ATOM 217 C THR A 22 24.899 -4.054 -6.854 1.00 0.00 C ATOM 218 O THR A 22 25.459 -2.979 -6.777 1.00 0.00 O ATOM 219 CB THR A 22 25.315 -5.730 -8.660 1.00 0.00 C ATOM 220 OG1 THR A 22 25.973 -6.948 -8.977 1.00 0.00 O ATOM 221 CG2 THR A 22 25.766 -4.635 -9.627 1.00 0.00 C ATOM 0 H THR A 22 24.702 -7.154 -6.693 1.00 0.00 H new ATOM 0 HA THR A 22 26.736 -5.137 -7.156 1.00 0.00 H new ATOM 0 HB THR A 22 24.237 -5.865 -8.748 1.00 0.00 H new ATOM 0 HG1 THR A 22 25.749 -7.212 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.516 -4.925 -10.647 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.260 -3.701 -9.381 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.844 -4.497 -9.543 1.00 0.00 H new ATOM 229 N ASP A 23 23.621 -4.171 -6.624 1.00 0.00 N ATOM 230 CA ASP A 23 22.816 -2.974 -6.256 1.00 0.00 C ATOM 231 C ASP A 23 22.688 -2.900 -4.734 1.00 0.00 C ATOM 232 O ASP A 23 22.645 -3.905 -4.055 1.00 0.00 O ATOM 233 CB ASP A 23 21.425 -3.083 -6.882 1.00 0.00 C ATOM 234 CG ASP A 23 21.555 -3.493 -8.351 1.00 0.00 C ATOM 235 OD1 ASP A 23 22.677 -3.660 -8.802 1.00 0.00 O ATOM 236 OD2 ASP A 23 20.532 -3.633 -9.000 1.00 0.00 O ATOM 0 H ASP A 23 23.099 -5.046 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 23 23.308 -2.074 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.828 -3.817 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.904 -2.128 -6.805 1.00 0.00 H new ATOM 241 N LEU A 24 22.626 -1.714 -4.194 1.00 0.00 N ATOM 242 CA LEU A 24 22.500 -1.572 -2.716 1.00 0.00 C ATOM 243 C LEU A 24 21.041 -1.768 -2.306 1.00 0.00 C ATOM 244 O LEU A 24 20.137 -1.620 -3.105 1.00 0.00 O ATOM 245 CB LEU A 24 22.965 -0.173 -2.297 1.00 0.00 C ATOM 246 CG LEU A 24 24.499 -0.112 -2.250 1.00 0.00 C ATOM 247 CD1 LEU A 24 24.986 -0.646 -0.902 1.00 0.00 C ATOM 248 CD2 LEU A 24 25.100 -0.958 -3.379 1.00 0.00 C ATOM 0 H LEU A 24 22.657 -0.836 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 24 23.118 -2.324 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 24 22.586 0.569 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.554 0.076 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 24 24.816 0.923 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.075 -0.604 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.572 -0.037 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.659 -1.678 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.188 -0.905 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 24 24.782 -1.994 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.758 -0.576 -4.341 1.00 0.00 H new ATOM 260 N SER A 25 20.804 -2.099 -1.069 1.00 0.00 N ATOM 261 CA SER A 25 19.403 -2.302 -0.609 1.00 0.00 C ATOM 262 C SER A 25 19.030 -1.201 0.382 1.00 0.00 C ATOM 263 O SER A 25 19.691 -1.001 1.381 1.00 0.00 O ATOM 264 CB SER A 25 19.282 -3.664 0.077 1.00 0.00 C ATOM 265 OG SER A 25 18.763 -4.614 -0.842 1.00 0.00 O ATOM 0 H SER A 25 21.520 -2.238 -0.356 1.00 0.00 H new ATOM 0 HA SER A 25 18.731 -2.266 -1.466 1.00 0.00 H new ATOM 0 HB2 SER A 25 20.258 -3.988 0.439 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.628 -3.588 0.946 1.00 0.00 H new ATOM 0 HG SER A 25 18.020 -4.215 -1.341 1.00 0.00 H new ATOM 271 N PHE A 26 17.976 -0.483 0.113 1.00 0.00 N ATOM 272 CA PHE A 26 17.561 0.605 1.041 1.00 0.00 C ATOM 273 C PHE A 26 16.289 0.180 1.776 1.00 0.00 C ATOM 274 O PHE A 26 15.816 -0.928 1.623 1.00 0.00 O ATOM 275 CB PHE A 26 17.299 1.889 0.249 1.00 0.00 C ATOM 276 CG PHE A 26 16.517 1.559 -1.025 1.00 0.00 C ATOM 277 CD1 PHE A 26 15.161 1.295 -0.966 1.00 0.00 C ATOM 278 CD2 PHE A 26 17.154 1.531 -2.253 1.00 0.00 C ATOM 279 CE1 PHE A 26 14.453 1.009 -2.114 1.00 0.00 C ATOM 280 CE2 PHE A 26 16.445 1.244 -3.402 1.00 0.00 C ATOM 281 CZ PHE A 26 15.095 0.984 -3.333 1.00 0.00 C ATOM 0 H PHE A 26 17.384 -0.602 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 26 18.355 0.791 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 26 16.737 2.596 0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 26 18.244 2.369 -0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.653 1.313 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 26 18.213 1.735 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.394 0.804 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.950 1.223 -4.356 1.00 0.00 H new ATOM 0 HZ PHE A 26 14.540 0.761 -4.232 1.00 0.00 H new ATOM 291 N LYS A 27 15.729 1.047 2.572 1.00 0.00 N ATOM 292 CA LYS A 27 14.489 0.679 3.310 1.00 0.00 C ATOM 293 C LYS A 27 13.479 1.823 3.232 1.00 0.00 C ATOM 294 O LYS A 27 13.809 2.935 2.873 1.00 0.00 O ATOM 295 CB LYS A 27 14.834 0.405 4.775 1.00 0.00 C ATOM 296 CG LYS A 27 15.424 -0.999 4.903 1.00 0.00 C ATOM 297 CD LYS A 27 14.380 -1.936 5.513 1.00 0.00 C ATOM 298 CE LYS A 27 14.999 -2.689 6.692 1.00 0.00 C ATOM 299 NZ LYS A 27 14.222 -2.397 7.930 1.00 0.00 N ATOM 0 H LYS A 27 16.075 1.991 2.743 1.00 0.00 H new ATOM 0 HA LYS A 27 14.055 -0.214 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.547 1.146 5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.941 0.494 5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.731 -1.367 3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.316 -0.975 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.514 -1.365 5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.026 -2.642 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.998 -3.761 6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.039 -2.390 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.642 -2.908 8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.244 -1.375 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.237 -2.704 7.802 1.00 0.00 H new ATOM 313 N LYS A 28 12.247 1.555 3.566 1.00 0.00 N ATOM 314 CA LYS A 28 11.210 2.622 3.515 1.00 0.00 C ATOM 315 C LYS A 28 11.544 3.698 4.553 1.00 0.00 C ATOM 316 O LYS A 28 11.344 3.515 5.737 1.00 0.00 O ATOM 317 CB LYS A 28 9.838 2.002 3.815 1.00 0.00 C ATOM 318 CG LYS A 28 8.852 3.088 4.256 1.00 0.00 C ATOM 319 CD LYS A 28 7.534 2.436 4.683 1.00 0.00 C ATOM 320 CE LYS A 28 6.924 3.229 5.841 1.00 0.00 C ATOM 321 NZ LYS A 28 7.176 2.510 7.121 1.00 0.00 N ATOM 0 H LYS A 28 11.914 0.641 3.873 1.00 0.00 H new ATOM 0 HA LYS A 28 11.187 3.078 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.458 1.494 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.934 1.249 4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.271 3.661 5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.676 3.788 3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.841 2.408 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.708 1.404 4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.358 4.228 5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.852 3.354 5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.762 3.048 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.742 1.566 7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.201 2.413 7.269 1.00 0.00 H new ATOM 335 N GLY A 29 12.052 4.818 4.116 1.00 0.00 N ATOM 336 CA GLY A 29 12.399 5.907 5.073 1.00 0.00 C ATOM 337 C GLY A 29 13.895 6.222 4.970 1.00 0.00 C ATOM 338 O GLY A 29 14.414 7.052 5.690 1.00 0.00 O ATOM 0 H GLY A 29 12.242 5.026 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.813 6.799 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.150 5.605 6.090 1.00 0.00 H new ATOM 342 N GLU A 30 14.591 5.567 4.081 1.00 0.00 N ATOM 343 CA GLU A 30 16.050 5.832 3.934 1.00 0.00 C ATOM 344 C GLU A 30 16.265 6.942 2.904 1.00 0.00 C ATOM 345 O GLU A 30 15.634 6.969 1.866 1.00 0.00 O ATOM 346 CB GLU A 30 16.755 4.557 3.465 1.00 0.00 C ATOM 347 CG GLU A 30 17.891 4.216 4.431 1.00 0.00 C ATOM 348 CD GLU A 30 18.611 2.955 3.946 1.00 0.00 C ATOM 349 OE1 GLU A 30 19.118 2.977 2.836 1.00 0.00 O ATOM 350 OE2 GLU A 30 18.643 1.991 4.692 1.00 0.00 O ATOM 0 H GLU A 30 14.212 4.860 3.451 1.00 0.00 H new ATOM 0 HA GLU A 30 16.462 6.143 4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.044 3.732 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.149 4.696 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.593 5.048 4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.495 4.059 5.434 1.00 0.00 H new ATOM 357 N ARG A 31 17.151 7.859 3.181 1.00 0.00 N ATOM 358 CA ARG A 31 17.403 8.965 2.216 1.00 0.00 C ATOM 359 C ARG A 31 18.358 8.475 1.124 1.00 0.00 C ATOM 360 O ARG A 31 19.256 7.696 1.376 1.00 0.00 O ATOM 361 CB ARG A 31 18.032 10.152 2.950 1.00 0.00 C ATOM 362 CG ARG A 31 16.974 11.234 3.170 1.00 0.00 C ATOM 363 CD ARG A 31 16.426 11.131 4.595 1.00 0.00 C ATOM 364 NE ARG A 31 15.422 12.208 4.822 1.00 0.00 N ATOM 365 CZ ARG A 31 14.320 12.233 4.122 1.00 0.00 C ATOM 366 NH1 ARG A 31 13.990 11.207 3.387 1.00 0.00 N ATOM 367 NH2 ARG A 31 13.549 13.286 4.157 1.00 0.00 N ATOM 0 H ARG A 31 17.711 7.890 4.033 1.00 0.00 H new ATOM 0 HA ARG A 31 16.461 9.278 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 31 18.440 9.827 3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.863 10.553 2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 31 17.408 12.220 3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 31 16.165 11.118 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 31 15.968 10.154 4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 31 17.239 11.220 5.316 1.00 0.00 H new ATOM 0 HE ARG A 31 15.596 12.927 5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.593 10.385 3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.129 11.227 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.808 14.089 4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.688 13.306 3.610 1.00 0.00 H new ATOM 381 N LEU A 32 18.171 8.922 -0.088 1.00 0.00 N ATOM 382 CA LEU A 32 19.070 8.477 -1.191 1.00 0.00 C ATOM 383 C LEU A 32 19.156 9.569 -2.259 1.00 0.00 C ATOM 384 O LEU A 32 18.162 10.147 -2.652 1.00 0.00 O ATOM 385 CB LEU A 32 18.508 7.200 -1.818 1.00 0.00 C ATOM 386 CG LEU A 32 19.162 5.978 -1.170 1.00 0.00 C ATOM 387 CD1 LEU A 32 18.084 5.101 -0.530 1.00 0.00 C ATOM 388 CD2 LEU A 32 19.906 5.172 -2.237 1.00 0.00 C ATOM 0 H LEU A 32 17.436 9.575 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 32 20.065 8.284 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.427 7.161 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.694 7.198 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 32 19.865 6.306 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 32 18.550 4.230 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.553 5.674 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.380 4.773 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 32 20.372 4.301 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 32 19.202 4.844 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 32 20.674 5.796 -2.694 1.00 0.00 H new ATOM 400 N GLN A 33 20.339 9.858 -2.733 1.00 0.00 N ATOM 401 CA GLN A 33 20.488 10.912 -3.775 1.00 0.00 C ATOM 402 C GLN A 33 20.354 10.273 -5.159 1.00 0.00 C ATOM 403 O GLN A 33 21.260 9.625 -5.645 1.00 0.00 O ATOM 404 CB GLN A 33 21.864 11.570 -3.645 1.00 0.00 C ATOM 405 CG GLN A 33 21.911 12.831 -4.511 1.00 0.00 C ATOM 406 CD GLN A 33 21.191 13.973 -3.791 1.00 0.00 C ATOM 407 OE1 GLN A 33 20.039 14.250 -4.066 1.00 0.00 O ATOM 408 NE2 GLN A 33 21.823 14.652 -2.875 1.00 0.00 N ATOM 0 H GLN A 33 21.208 9.409 -2.443 1.00 0.00 H new ATOM 0 HA GLN A 33 19.714 11.668 -3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 33 22.060 11.824 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.643 10.873 -3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.946 13.109 -4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.440 12.640 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.789 14.420 -2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 33 21.351 15.415 -2.389 1.00 0.00 H new ATOM 417 N ILE A 34 19.232 10.454 -5.800 1.00 0.00 N ATOM 418 CA ILE A 34 19.040 9.857 -7.152 1.00 0.00 C ATOM 419 C ILE A 34 19.980 10.526 -8.155 1.00 0.00 C ATOM 420 O ILE A 34 20.364 11.668 -8.000 1.00 0.00 O ATOM 421 CB ILE A 34 17.591 10.067 -7.598 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.644 9.499 -6.540 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.358 9.346 -8.927 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.719 7.971 -6.553 1.00 0.00 C ATOM 0 H ILE A 34 18.440 10.990 -5.446 1.00 0.00 H new ATOM 0 HA ILE A 34 19.262 8.791 -7.108 1.00 0.00 H new ATOM 0 HB ILE A 34 17.400 11.133 -7.723 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.914 9.878 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.623 9.825 -6.738 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.326 9.495 -9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.033 9.748 -9.682 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.549 8.280 -8.801 1.00 0.00 H new ATOM 0 HD11 ILE A 34 16.044 7.567 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.428 7.601 -7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.739 7.655 -6.334 1.00 0.00 H new ATOM 436 N VAL A 35 20.353 9.818 -9.186 1.00 0.00 N ATOM 437 CA VAL A 35 21.268 10.401 -10.207 1.00 0.00 C ATOM 438 C VAL A 35 20.454 10.766 -11.448 1.00 0.00 C ATOM 439 O VAL A 35 20.413 11.905 -11.868 1.00 0.00 O ATOM 440 CB VAL A 35 22.339 9.373 -10.577 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.149 9.886 -11.769 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.273 9.158 -9.383 1.00 0.00 C ATOM 0 H VAL A 35 20.062 8.857 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 35 21.751 11.293 -9.808 1.00 0.00 H new ATOM 0 HB VAL A 35 21.861 8.430 -10.841 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.912 9.154 -12.033 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.486 10.041 -12.620 1.00 0.00 H new ATOM 0 HG13 VAL A 35 23.627 10.829 -11.505 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.036 8.426 -9.646 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.751 10.102 -9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.698 8.793 -8.532 1.00 0.00 H new ATOM 452 N ASN A 36 19.809 9.800 -12.034 1.00 0.00 N ATOM 453 CA ASN A 36 18.990 10.069 -13.248 1.00 0.00 C ATOM 454 C ASN A 36 17.598 9.467 -13.047 1.00 0.00 C ATOM 455 O ASN A 36 17.265 9.007 -11.973 1.00 0.00 O ATOM 456 CB ASN A 36 19.655 9.430 -14.469 1.00 0.00 C ATOM 457 CG ASN A 36 20.309 10.519 -15.323 1.00 0.00 C ATOM 458 OD1 ASN A 36 19.631 11.356 -15.885 1.00 0.00 O ATOM 459 ND2 ASN A 36 21.609 10.545 -15.443 1.00 0.00 N ATOM 0 H ASN A 36 19.813 8.829 -11.723 1.00 0.00 H new ATOM 0 HA ASN A 36 18.909 11.144 -13.409 1.00 0.00 H new ATOM 0 HB2 ASN A 36 20.403 8.704 -14.151 1.00 0.00 H new ATOM 0 HB3 ASN A 36 18.915 8.887 -15.057 1.00 0.00 H new ATOM 0 HD21 ASN A 36 22.055 11.268 -16.008 1.00 0.00 H new ATOM 0 HD22 ASN A 36 22.179 9.843 -14.971 1.00 0.00 H new ATOM 466 N ASN A 37 16.780 9.462 -14.062 1.00 0.00 N ATOM 467 CA ASN A 37 15.415 8.885 -13.905 1.00 0.00 C ATOM 468 C ASN A 37 14.607 9.100 -15.184 1.00 0.00 C ATOM 469 O ASN A 37 13.881 10.066 -15.315 1.00 0.00 O ATOM 470 CB ASN A 37 14.704 9.570 -12.736 1.00 0.00 C ATOM 471 CG ASN A 37 14.814 11.088 -12.892 1.00 0.00 C ATOM 472 OD1 ASN A 37 15.819 11.591 -13.356 1.00 0.00 O ATOM 473 ND2 ASN A 37 13.816 11.844 -12.524 1.00 0.00 N ATOM 0 H ASN A 37 16.995 9.830 -14.989 1.00 0.00 H new ATOM 0 HA ASN A 37 15.500 7.816 -13.710 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.656 9.271 -12.708 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.150 9.257 -11.792 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.879 12.857 -12.626 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.973 11.422 -12.135 1.00 0.00 H new ATOM 480 N THR A 38 14.726 8.212 -16.133 1.00 0.00 N ATOM 481 CA THR A 38 13.959 8.377 -17.398 1.00 0.00 C ATOM 482 C THR A 38 12.591 7.701 -17.241 1.00 0.00 C ATOM 483 O THR A 38 11.702 8.238 -16.613 1.00 0.00 O ATOM 484 CB THR A 38 14.740 7.756 -18.564 1.00 0.00 C ATOM 485 OG1 THR A 38 13.855 7.500 -19.646 1.00 0.00 O ATOM 486 CG2 THR A 38 15.397 6.449 -18.115 1.00 0.00 C ATOM 0 H THR A 38 15.319 7.383 -16.087 1.00 0.00 H new ATOM 0 HA THR A 38 13.812 9.436 -17.611 1.00 0.00 H new ATOM 0 HB THR A 38 15.515 8.451 -18.886 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.123 6.674 -20.100 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.949 6.014 -18.948 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.082 6.650 -17.291 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.628 5.750 -17.785 1.00 0.00 H new ATOM 494 N GLU A 39 12.406 6.534 -17.797 1.00 0.00 N ATOM 495 CA GLU A 39 11.093 5.854 -17.662 1.00 0.00 C ATOM 496 C GLU A 39 11.120 4.978 -16.410 1.00 0.00 C ATOM 497 O GLU A 39 12.173 4.639 -15.908 1.00 0.00 O ATOM 498 CB GLU A 39 10.846 4.979 -18.892 1.00 0.00 C ATOM 499 CG GLU A 39 11.502 5.612 -20.121 1.00 0.00 C ATOM 500 CD GLU A 39 12.755 4.818 -20.499 1.00 0.00 C ATOM 501 OE1 GLU A 39 12.618 3.841 -21.219 1.00 0.00 O ATOM 502 OE2 GLU A 39 13.829 5.199 -20.065 1.00 0.00 O ATOM 0 H GLU A 39 13.107 6.026 -18.337 1.00 0.00 H new ATOM 0 HA GLU A 39 10.296 6.593 -17.580 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.251 3.981 -18.726 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.775 4.865 -19.059 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.801 5.623 -20.955 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.765 6.649 -19.912 1.00 0.00 H new ATOM 509 N GLY A 40 9.980 4.613 -15.893 1.00 0.00 N ATOM 510 CA GLY A 40 9.963 3.758 -14.673 1.00 0.00 C ATOM 511 C GLY A 40 10.841 2.532 -14.922 1.00 0.00 C ATOM 512 O GLY A 40 10.384 1.517 -15.409 1.00 0.00 O ATOM 0 H GLY A 40 9.063 4.868 -16.260 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.331 4.318 -13.814 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.943 3.452 -14.440 1.00 0.00 H new ATOM 516 N ASP A 41 12.101 2.615 -14.591 1.00 0.00 N ATOM 517 CA ASP A 41 13.004 1.456 -14.811 1.00 0.00 C ATOM 518 C ASP A 41 13.900 1.262 -13.582 1.00 0.00 C ATOM 519 O ASP A 41 13.433 0.942 -12.508 1.00 0.00 O ATOM 520 CB ASP A 41 13.867 1.737 -16.043 1.00 0.00 C ATOM 521 CG ASP A 41 12.969 1.912 -17.269 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.042 2.700 -17.194 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.225 1.252 -18.264 1.00 0.00 O ATOM 0 H ASP A 41 12.542 3.437 -14.178 1.00 0.00 H new ATOM 0 HA ASP A 41 12.419 0.550 -14.967 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.463 2.636 -15.885 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.565 0.916 -16.205 1.00 0.00 H new ATOM 528 N TRP A 42 15.183 1.453 -13.732 1.00 0.00 N ATOM 529 CA TRP A 42 16.109 1.283 -12.585 1.00 0.00 C ATOM 530 C TRP A 42 17.147 2.397 -12.651 1.00 0.00 C ATOM 531 O TRP A 42 18.204 2.245 -13.232 1.00 0.00 O ATOM 532 CB TRP A 42 16.800 -0.078 -12.676 1.00 0.00 C ATOM 533 CG TRP A 42 15.739 -1.178 -12.661 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.830 -1.385 -13.627 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.563 -2.054 -11.675 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.114 -2.413 -13.170 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.502 -2.892 -11.959 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.266 -2.203 -10.497 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.146 -3.878 -11.062 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.909 -3.190 -9.601 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.849 -4.028 -9.883 1.00 0.00 C ATOM 0 H TRP A 42 15.629 1.722 -14.609 1.00 0.00 H new ATOM 0 HA TRP A 42 15.562 1.331 -11.643 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.392 -0.139 -13.589 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.488 -0.207 -11.840 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.708 -0.846 -14.555 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.333 -2.811 -13.691 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.095 -1.547 -10.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.316 -4.533 -11.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.459 -3.307 -8.679 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.570 -4.801 -9.182 1.00 0.00 H new ATOM 552 N TRP A 43 16.853 3.513 -12.058 1.00 0.00 N ATOM 553 CA TRP A 43 17.813 4.645 -12.083 1.00 0.00 C ATOM 554 C TRP A 43 18.922 4.400 -11.056 1.00 0.00 C ATOM 555 O TRP A 43 18.741 3.687 -10.091 1.00 0.00 O ATOM 556 CB TRP A 43 17.063 5.932 -11.750 1.00 0.00 C ATOM 557 CG TRP A 43 15.654 5.881 -12.365 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.354 5.411 -13.597 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.552 6.353 -11.781 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.044 5.639 -13.706 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.465 6.218 -12.625 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.381 6.907 -10.526 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.215 6.638 -12.218 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.130 7.327 -10.121 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.048 7.193 -10.966 1.00 0.00 C ATOM 0 H TRP A 43 15.985 3.692 -11.554 1.00 0.00 H new ATOM 0 HA TRP A 43 18.265 4.732 -13.071 1.00 0.00 H new ATOM 0 HB2 TRP A 43 16.995 6.056 -10.669 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.608 6.793 -12.136 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.017 4.959 -14.320 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.515 5.395 -14.543 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.227 7.011 -9.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.368 6.532 -12.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.998 7.761 -9.141 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.070 7.523 -10.648 1.00 0.00 H new ATOM 576 N LEU A 44 20.071 4.986 -11.260 1.00 0.00 N ATOM 577 CA LEU A 44 21.190 4.786 -10.297 1.00 0.00 C ATOM 578 C LEU A 44 21.124 5.844 -9.198 1.00 0.00 C ATOM 579 O LEU A 44 20.889 7.007 -9.455 1.00 0.00 O ATOM 580 CB LEU A 44 22.523 4.905 -11.038 1.00 0.00 C ATOM 581 CG LEU A 44 23.674 4.716 -10.047 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.601 3.608 -10.549 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.463 6.022 -9.926 1.00 0.00 C ATOM 0 H LEU A 44 20.282 5.594 -12.051 1.00 0.00 H new ATOM 0 HA LEU A 44 21.106 3.797 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.581 4.155 -11.827 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.599 5.880 -11.519 1.00 0.00 H new ATOM 0 HG LEU A 44 23.272 4.442 -9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.421 3.473 -9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 44 24.041 2.677 -10.637 1.00 0.00 H new ATOM 0 HD13 LEU A 44 25.003 3.884 -11.524 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.283 5.888 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 44 24.865 6.296 -10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 44 23.804 6.814 -9.570 1.00 0.00 H new ATOM 595 N ALA A 45 21.333 5.451 -7.971 1.00 0.00 N ATOM 596 CA ALA A 45 21.284 6.434 -6.854 1.00 0.00 C ATOM 597 C ALA A 45 22.570 6.332 -6.032 1.00 0.00 C ATOM 598 O ALA A 45 23.417 5.500 -6.288 1.00 0.00 O ATOM 599 CB ALA A 45 20.081 6.128 -5.957 1.00 0.00 C ATOM 0 H ALA A 45 21.536 4.490 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 45 21.188 7.441 -7.259 1.00 0.00 H new ATOM 0 HB1 ALA A 45 20.045 6.847 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 45 19.164 6.197 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 45 20.177 5.121 -5.551 1.00 0.00 H new ATOM 605 N HIS A 46 22.721 7.170 -5.044 1.00 0.00 N ATOM 606 CA HIS A 46 23.953 7.121 -4.207 1.00 0.00 C ATOM 607 C HIS A 46 23.578 7.341 -2.739 1.00 0.00 C ATOM 608 O HIS A 46 23.010 8.353 -2.378 1.00 0.00 O ATOM 609 CB HIS A 46 24.921 8.217 -4.662 1.00 0.00 C ATOM 610 CG HIS A 46 26.018 8.405 -3.611 1.00 0.00 C ATOM 611 ND1 HIS A 46 26.397 9.540 -2.918 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 26.788 7.492 -3.191 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 27.409 9.243 -2.087 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.597 7.953 -2.312 1.00 0.00 N flip ATOM 0 H HIS A 46 22.045 7.887 -4.780 1.00 0.00 H new ATOM 0 HA HIS A 46 24.432 6.148 -4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.365 7.949 -5.621 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.382 9.153 -4.811 1.00 0.00 H new ATOM 0 HD1 HIS A 46 25.973 10.462 -3.022 1.00 0.00 H new ATOM 0 HD2 HIS A 46 26.766 6.466 -3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 46 27.937 9.894 -1.406 1.00 0.00 H new ATOM 622 N SER A 47 23.893 6.401 -1.891 1.00 0.00 N ATOM 623 CA SER A 47 23.555 6.556 -0.448 1.00 0.00 C ATOM 624 C SER A 47 24.538 7.531 0.203 1.00 0.00 C ATOM 625 O SER A 47 25.738 7.396 0.070 1.00 0.00 O ATOM 626 CB SER A 47 23.649 5.195 0.245 1.00 0.00 C ATOM 627 OG SER A 47 22.658 4.326 -0.285 1.00 0.00 O ATOM 0 H SER A 47 24.370 5.533 -2.135 1.00 0.00 H new ATOM 0 HA SER A 47 22.541 6.944 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.640 4.767 0.097 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.509 5.311 1.320 1.00 0.00 H new ATOM 0 HG SER A 47 22.718 3.453 0.157 1.00 0.00 H new ATOM 633 N LEU A 48 24.041 8.510 0.905 1.00 0.00 N ATOM 634 CA LEU A 48 24.948 9.493 1.563 1.00 0.00 C ATOM 635 C LEU A 48 25.405 8.944 2.916 1.00 0.00 C ATOM 636 O LEU A 48 26.540 9.120 3.314 1.00 0.00 O ATOM 637 CB LEU A 48 24.203 10.812 1.772 1.00 0.00 C ATOM 638 CG LEU A 48 23.397 11.146 0.516 1.00 0.00 C ATOM 639 CD1 LEU A 48 22.438 12.298 0.818 1.00 0.00 C ATOM 640 CD2 LEU A 48 24.352 11.557 -0.608 1.00 0.00 C ATOM 0 H LEU A 48 23.045 8.673 1.052 1.00 0.00 H new ATOM 0 HA LEU A 48 25.819 9.663 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.539 10.735 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 48 24.911 11.612 1.986 1.00 0.00 H new ATOM 0 HG LEU A 48 22.826 10.271 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.863 12.537 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.759 12.005 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 48 23.008 13.174 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.778 11.795 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.922 12.433 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.036 10.736 -0.823 1.00 0.00 H new ATOM 652 N THR A 49 24.531 8.285 3.627 1.00 0.00 N ATOM 653 CA THR A 49 24.919 7.727 4.955 1.00 0.00 C ATOM 654 C THR A 49 26.300 7.077 4.851 1.00 0.00 C ATOM 655 O THR A 49 27.283 7.606 5.331 1.00 0.00 O ATOM 656 CB THR A 49 23.896 6.675 5.395 1.00 0.00 C ATOM 657 OG1 THR A 49 22.820 6.640 4.467 1.00 0.00 O ATOM 658 CG2 THR A 49 23.362 7.029 6.784 1.00 0.00 C ATOM 0 H THR A 49 23.566 8.109 3.347 1.00 0.00 H new ATOM 0 HA THR A 49 24.947 8.533 5.688 1.00 0.00 H new ATOM 0 HB THR A 49 24.376 5.697 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 49 22.167 5.966 4.748 1.00 0.00 H new ATOM 0 HG21 THR A 49 22.634 6.280 7.096 1.00 0.00 H new ATOM 0 HG22 THR A 49 24.187 7.052 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 49 22.884 8.008 6.751 1.00 0.00 H new ATOM 666 N THR A 50 26.382 5.934 4.228 1.00 0.00 N ATOM 667 CA THR A 50 27.701 5.254 4.095 1.00 0.00 C ATOM 668 C THR A 50 28.458 5.847 2.904 1.00 0.00 C ATOM 669 O THR A 50 29.596 6.257 3.023 1.00 0.00 O ATOM 670 CB THR A 50 27.483 3.757 3.867 1.00 0.00 C ATOM 671 OG1 THR A 50 26.693 3.229 4.924 1.00 0.00 O ATOM 672 CG2 THR A 50 28.836 3.042 3.833 1.00 0.00 C ATOM 0 H THR A 50 25.594 5.442 3.806 1.00 0.00 H new ATOM 0 HA THR A 50 28.281 5.401 5.006 1.00 0.00 H new ATOM 0 HB THR A 50 26.970 3.604 2.918 1.00 0.00 H new ATOM 0 HG1 THR A 50 26.551 2.270 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 50 28.680 1.976 3.671 1.00 0.00 H new ATOM 0 HG22 THR A 50 29.442 3.448 3.023 1.00 0.00 H new ATOM 0 HG23 THR A 50 29.351 3.193 4.782 1.00 0.00 H new ATOM 680 N GLY A 51 27.836 5.895 1.758 1.00 0.00 N ATOM 681 CA GLY A 51 28.521 6.463 0.562 1.00 0.00 C ATOM 682 C GLY A 51 28.640 5.387 -0.518 1.00 0.00 C ATOM 683 O GLY A 51 29.411 5.513 -1.450 1.00 0.00 O ATOM 0 H GLY A 51 26.884 5.566 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 51 27.960 7.316 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.510 6.829 0.836 1.00 0.00 H new ATOM 687 N GLN A 52 27.888 4.327 -0.402 1.00 0.00 N ATOM 688 CA GLN A 52 27.960 3.246 -1.425 1.00 0.00 C ATOM 689 C GLN A 52 26.939 3.521 -2.533 1.00 0.00 C ATOM 690 O GLN A 52 25.862 4.024 -2.287 1.00 0.00 O ATOM 691 CB GLN A 52 27.650 1.899 -0.767 1.00 0.00 C ATOM 692 CG GLN A 52 28.926 1.329 -0.140 1.00 0.00 C ATOM 693 CD GLN A 52 28.795 -0.190 -0.010 1.00 0.00 C ATOM 694 OE1 GLN A 52 29.167 -0.921 -0.907 1.00 0.00 O ATOM 695 NE2 GLN A 52 28.279 -0.699 1.074 1.00 0.00 N ATOM 0 H GLN A 52 27.227 4.163 0.357 1.00 0.00 H new ATOM 0 HA GLN A 52 28.962 3.219 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 52 26.882 2.024 -0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 52 27.254 1.204 -1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 52 29.790 1.579 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 52 29.093 1.776 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 52 27.967 -0.086 1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 52 28.188 -1.710 1.169 1.00 0.00 H new ATOM 704 N THR A 53 27.272 3.197 -3.754 1.00 0.00 N ATOM 705 CA THR A 53 26.323 3.438 -4.877 1.00 0.00 C ATOM 706 C THR A 53 25.420 2.212 -5.046 1.00 0.00 C ATOM 707 O THR A 53 25.794 1.106 -4.717 1.00 0.00 O ATOM 708 CB THR A 53 27.126 3.695 -6.167 1.00 0.00 C ATOM 709 OG1 THR A 53 27.362 5.089 -6.298 1.00 0.00 O ATOM 710 CG2 THR A 53 26.354 3.196 -7.397 1.00 0.00 C ATOM 0 H THR A 53 28.161 2.775 -4.021 1.00 0.00 H new ATOM 0 HA THR A 53 25.701 4.308 -4.665 1.00 0.00 H new ATOM 0 HB THR A 53 28.071 3.155 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.874 5.259 -7.116 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.939 3.388 -8.296 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.173 2.125 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.401 3.721 -7.466 1.00 0.00 H new ATOM 718 N GLY A 54 24.237 2.401 -5.565 1.00 0.00 N ATOM 719 CA GLY A 54 23.316 1.247 -5.752 1.00 0.00 C ATOM 720 C GLY A 54 22.124 1.673 -6.610 1.00 0.00 C ATOM 721 O GLY A 54 21.568 2.740 -6.432 1.00 0.00 O ATOM 0 H GLY A 54 23.870 3.304 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.844 0.422 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.969 0.886 -4.784 1.00 0.00 H new ATOM 725 N TYR A 55 21.727 0.851 -7.542 1.00 0.00 N ATOM 726 CA TYR A 55 20.574 1.206 -8.409 1.00 0.00 C ATOM 727 C TYR A 55 19.268 0.928 -7.659 1.00 0.00 C ATOM 728 O TYR A 55 19.129 -0.075 -6.987 1.00 0.00 O ATOM 729 CB TYR A 55 20.617 0.360 -9.685 1.00 0.00 C ATOM 730 CG TYR A 55 22.069 0.019 -10.036 1.00 0.00 C ATOM 731 CD1 TYR A 55 23.073 0.951 -9.863 1.00 0.00 C ATOM 732 CD2 TYR A 55 22.393 -1.229 -10.528 1.00 0.00 C ATOM 733 CE1 TYR A 55 24.381 0.637 -10.176 1.00 0.00 C ATOM 734 CE2 TYR A 55 23.700 -1.542 -10.841 1.00 0.00 C ATOM 735 CZ TYR A 55 24.704 -0.612 -10.667 1.00 0.00 C ATOM 736 OH TYR A 55 26.012 -0.926 -10.979 1.00 0.00 O ATOM 0 H TYR A 55 22.155 -0.054 -7.739 1.00 0.00 H new ATOM 0 HA TYR A 55 20.627 2.263 -8.670 1.00 0.00 H new ATOM 0 HB2 TYR A 55 20.043 -0.556 -9.544 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.153 0.904 -10.508 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.834 1.932 -9.480 1.00 0.00 H new ATOM 0 HD2 TYR A 55 21.617 -1.967 -10.669 1.00 0.00 H new ATOM 0 HE1 TYR A 55 25.157 1.375 -10.035 1.00 0.00 H new ATOM 0 HE2 TYR A 55 23.939 -2.523 -11.225 1.00 0.00 H new ATOM 0 HH TYR A 55 26.057 -1.847 -11.310 1.00 0.00 H new ATOM 746 N ILE A 56 18.311 1.808 -7.768 1.00 0.00 N ATOM 747 CA ILE A 56 17.016 1.591 -7.061 1.00 0.00 C ATOM 748 C ILE A 56 15.890 1.475 -8.099 1.00 0.00 C ATOM 749 O ILE A 56 15.798 2.289 -8.996 1.00 0.00 O ATOM 750 CB ILE A 56 16.736 2.767 -6.107 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.169 3.963 -6.882 1.00 0.00 C ATOM 752 CG2 ILE A 56 18.037 3.185 -5.409 1.00 0.00 C ATOM 753 CD1 ILE A 56 17.241 4.532 -7.812 1.00 0.00 C ATOM 0 H ILE A 56 18.369 2.667 -8.315 1.00 0.00 H new ATOM 0 HA ILE A 56 17.067 0.672 -6.476 1.00 0.00 H new ATOM 0 HB ILE A 56 16.005 2.447 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 56 15.299 3.653 -7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 56 15.832 4.732 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.837 4.017 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 56 18.431 2.343 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.769 3.492 -6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 56 16.833 5.381 -8.360 1.00 0.00 H new ATOM 0 HD12 ILE A 56 18.098 4.858 -7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 56 17.557 3.763 -8.517 1.00 0.00 H new ATOM 765 N PRO A 57 15.065 0.465 -7.953 1.00 0.00 N ATOM 766 CA PRO A 57 13.942 0.236 -8.879 1.00 0.00 C ATOM 767 C PRO A 57 12.979 1.427 -8.848 1.00 0.00 C ATOM 768 O PRO A 57 12.876 2.130 -7.862 1.00 0.00 O ATOM 769 CB PRO A 57 13.254 -1.034 -8.361 1.00 0.00 C ATOM 770 CG PRO A 57 14.025 -1.507 -7.102 1.00 0.00 C ATOM 771 CD PRO A 57 15.182 -0.522 -6.863 1.00 0.00 C ATOM 0 HA PRO A 57 14.272 0.126 -9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.211 -0.832 -8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.258 -1.810 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.363 -1.536 -6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.407 -2.518 -7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.100 -0.045 -5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.146 -1.030 -6.890 1.00 0.00 H new ATOM 779 N SER A 58 12.274 1.658 -9.923 1.00 0.00 N ATOM 780 CA SER A 58 11.318 2.801 -9.958 1.00 0.00 C ATOM 781 C SER A 58 10.027 2.413 -9.235 1.00 0.00 C ATOM 782 O SER A 58 9.197 3.249 -8.937 1.00 0.00 O ATOM 783 CB SER A 58 11.000 3.158 -11.412 1.00 0.00 C ATOM 784 OG SER A 58 11.360 2.074 -12.255 1.00 0.00 O ATOM 0 H SER A 58 12.319 1.104 -10.778 1.00 0.00 H new ATOM 0 HA SER A 58 11.767 3.662 -9.462 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.938 3.379 -11.519 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.544 4.056 -11.704 1.00 0.00 H new ATOM 0 HG SER A 58 12.332 1.951 -12.232 1.00 0.00 H new ATOM 790 N ASN A 59 9.848 1.153 -8.955 1.00 0.00 N ATOM 791 CA ASN A 59 8.610 0.717 -8.253 1.00 0.00 C ATOM 792 C ASN A 59 8.823 0.810 -6.742 1.00 0.00 C ATOM 793 O ASN A 59 7.884 0.838 -5.972 1.00 0.00 O ATOM 794 CB ASN A 59 8.286 -0.730 -8.634 1.00 0.00 C ATOM 795 CG ASN A 59 6.769 -0.910 -8.712 1.00 0.00 C ATOM 796 OD1 ASN A 59 6.222 -1.090 -9.782 1.00 0.00 O ATOM 797 ND2 ASN A 59 6.062 -0.866 -7.617 1.00 0.00 N ATOM 0 H ASN A 59 10.505 0.407 -9.182 1.00 0.00 H new ATOM 0 HA ASN A 59 7.781 1.362 -8.545 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.742 -0.975 -9.593 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.707 -1.414 -7.897 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.050 -0.983 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.522 -0.715 -6.719 1.00 0.00 H new ATOM 804 N TYR A 60 10.054 0.861 -6.308 1.00 0.00 N ATOM 805 CA TYR A 60 10.323 0.953 -4.847 1.00 0.00 C ATOM 806 C TYR A 60 10.817 2.356 -4.491 1.00 0.00 C ATOM 807 O TYR A 60 11.358 2.576 -3.424 1.00 0.00 O ATOM 808 CB TYR A 60 11.382 -0.078 -4.455 1.00 0.00 C ATOM 809 CG TYR A 60 10.841 -1.495 -4.675 1.00 0.00 C ATOM 810 CD1 TYR A 60 9.509 -1.705 -4.975 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.680 -2.587 -4.571 1.00 0.00 C ATOM 812 CE1 TYR A 60 9.025 -2.983 -5.164 1.00 0.00 C ATOM 813 CE2 TYR A 60 11.195 -3.866 -4.761 1.00 0.00 C ATOM 814 CZ TYR A 60 9.864 -4.073 -5.058 1.00 0.00 C ATOM 815 OH TYR A 60 9.379 -5.351 -5.247 1.00 0.00 O ATOM 0 H TYR A 60 10.883 0.843 -6.902 1.00 0.00 H new ATOM 0 HA TYR A 60 9.400 0.753 -4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.284 0.072 -5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 60 11.662 0.055 -3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.841 -0.861 -5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.724 -2.439 -4.339 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.981 -3.131 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.863 -4.711 -4.676 1.00 0.00 H new ATOM 0 HH TYR A 60 10.107 -5.997 -5.136 1.00 0.00 H new ATOM 825 N VAL A 61 10.642 3.306 -5.371 1.00 0.00 N ATOM 826 CA VAL A 61 11.104 4.694 -5.076 1.00 0.00 C ATOM 827 C VAL A 61 10.085 5.694 -5.616 1.00 0.00 C ATOM 828 O VAL A 61 9.120 5.333 -6.261 1.00 0.00 O ATOM 829 CB VAL A 61 12.467 4.947 -5.730 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.301 5.081 -7.248 1.00 0.00 C ATOM 831 CG2 VAL A 61 13.093 6.225 -5.169 1.00 0.00 C ATOM 0 H VAL A 61 10.199 3.181 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 61 11.201 4.815 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 61 13.122 4.104 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.274 5.261 -7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.875 4.162 -7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.636 5.916 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.061 6.394 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.437 7.071 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.228 6.122 -4.092 1.00 0.00 H new ATOM 841 N ALA A 62 10.297 6.949 -5.354 1.00 0.00 N ATOM 842 CA ALA A 62 9.350 7.990 -5.845 1.00 0.00 C ATOM 843 C ALA A 62 9.663 9.325 -5.159 1.00 0.00 C ATOM 844 O ALA A 62 9.987 9.355 -3.988 1.00 0.00 O ATOM 845 CB ALA A 62 7.915 7.570 -5.516 1.00 0.00 C ATOM 0 H ALA A 62 11.089 7.304 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 62 9.456 8.101 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.222 8.331 -5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.694 6.620 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.806 7.460 -4.437 1.00 0.00 H new ATOM 851 N PRO A 63 9.555 10.395 -5.909 1.00 0.00 N ATOM 852 CA PRO A 63 9.824 11.748 -5.387 1.00 0.00 C ATOM 853 C PRO A 63 8.865 12.078 -4.239 1.00 0.00 C ATOM 854 O PRO A 63 7.666 12.161 -4.422 1.00 0.00 O ATOM 855 CB PRO A 63 9.583 12.685 -6.578 1.00 0.00 C ATOM 856 CG PRO A 63 9.187 11.809 -7.795 1.00 0.00 C ATOM 857 CD PRO A 63 9.155 10.345 -7.327 1.00 0.00 C ATOM 0 HA PRO A 63 10.834 11.843 -4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.793 13.400 -6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.481 13.262 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.213 12.108 -8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.904 11.935 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.160 9.914 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.839 9.728 -7.910 1.00 0.00 H new ATOM 865 N SER A 64 9.385 12.269 -3.058 1.00 0.00 N ATOM 866 CA SER A 64 8.506 12.594 -1.899 1.00 0.00 C ATOM 867 C SER A 64 9.371 12.887 -0.671 1.00 0.00 C ATOM 868 O SER A 64 8.830 12.898 0.422 1.00 0.00 O ATOM 869 CB SER A 64 7.589 11.404 -1.606 1.00 0.00 C ATOM 870 OG SER A 64 8.179 10.216 -2.112 1.00 0.00 O ATOM 871 OXT SER A 64 10.561 13.094 -0.846 1.00 0.00 O ATOM 0 H SER A 64 10.381 12.214 -2.845 1.00 0.00 H new ATOM 0 HA SER A 64 7.901 13.469 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.426 11.313 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.613 11.562 -2.065 1.00 0.00 H new ATOM 0 HG SER A 64 7.593 9.454 -1.923 1.00 0.00 H new TER 877 SER A 64