USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 430 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 41 SER OG : rot 180:sc= 0.00354 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 2 THR OG1 : rot 12:sc= 0.85 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 151:sc= 0.00158 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00643 USER MOD Single : A 21 HIS : no HD1:sc= -0.743 K(o=-0.74,f=0.091) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.246) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 31 SER OG : rot 43:sc= 0.27 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0631 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 119:sc= 0.00244 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 -10.069 7.776 3.691 1.00 0.00 N ATOM 18 CA THR A 2 -8.636 7.554 3.601 1.00 0.00 C ATOM 19 C THR A 2 -8.343 6.281 2.805 1.00 0.00 C ATOM 20 O THR A 2 -7.262 5.708 2.919 1.00 0.00 O ATOM 21 CB THR A 2 -8.071 7.525 5.022 1.00 0.00 C ATOM 22 OG1 THR A 2 -8.984 8.318 5.775 1.00 0.00 O ATOM 23 CG2 THR A 2 -6.742 8.276 5.139 1.00 0.00 C ATOM 0 HA THR A 2 -8.145 8.361 3.057 1.00 0.00 H new ATOM 0 HB THR A 2 -7.933 6.491 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.791 8.482 5.243 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.384 8.225 6.167 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.007 7.820 4.476 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.887 9.319 4.857 1.00 0.00 H new ATOM 31 N LEU A 3 -9.328 5.874 2.016 1.00 0.00 N ATOM 32 CA LEU A 3 -9.189 4.679 1.202 1.00 0.00 C ATOM 33 C LEU A 3 -8.424 5.025 -0.077 1.00 0.00 C ATOM 34 O LEU A 3 -8.941 5.726 -0.945 1.00 0.00 O ATOM 35 CB LEU A 3 -10.557 4.044 0.946 1.00 0.00 C ATOM 36 CG LEU A 3 -10.937 2.876 1.860 1.00 0.00 C ATOM 37 CD1 LEU A 3 -10.791 3.265 3.332 1.00 0.00 C ATOM 38 CD2 LEU A 3 -12.341 2.362 1.539 1.00 0.00 C ATOM 0 H LEU A 3 -10.225 6.351 1.924 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.606 3.924 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.318 4.818 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.586 3.696 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.245 2.055 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.067 2.419 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.757 3.545 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.445 4.109 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.585 1.533 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.064 3.165 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.376 2.021 0.504 1.00 0.00 H new ATOM 50 N PHE A 4 -7.202 4.516 -0.152 1.00 0.00 N ATOM 51 CA PHE A 4 -6.359 4.762 -1.311 1.00 0.00 C ATOM 52 C PHE A 4 -6.894 4.031 -2.543 1.00 0.00 C ATOM 53 O PHE A 4 -7.292 2.869 -2.457 1.00 0.00 O ATOM 54 CB PHE A 4 -4.969 4.220 -0.974 1.00 0.00 C ATOM 55 CG PHE A 4 -4.046 5.242 -0.309 1.00 0.00 C ATOM 56 CD1 PHE A 4 -4.121 5.455 1.032 1.00 0.00 C ATOM 57 CD2 PHE A 4 -3.151 5.940 -1.059 1.00 0.00 C ATOM 58 CE1 PHE A 4 -3.264 6.404 1.650 1.00 0.00 C ATOM 59 CE2 PHE A 4 -2.294 6.890 -0.441 1.00 0.00 C ATOM 60 CZ PHE A 4 -2.369 7.102 0.900 1.00 0.00 C ATOM 0 H PHE A 4 -6.776 3.935 0.570 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.337 5.828 -1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.076 3.359 -0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.498 3.862 -1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.833 4.902 1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.092 5.772 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.323 6.572 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.583 7.444 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.718 7.825 1.370 1.00 0.00 H new ATOM 70 N VAL A 5 -6.888 4.741 -3.662 1.00 0.00 N ATOM 71 CA VAL A 5 -7.368 4.174 -4.910 1.00 0.00 C ATOM 72 C VAL A 5 -6.180 3.634 -5.711 1.00 0.00 C ATOM 73 O VAL A 5 -5.316 4.399 -6.137 1.00 0.00 O ATOM 74 CB VAL A 5 -8.183 5.215 -5.679 1.00 0.00 C ATOM 75 CG1 VAL A 5 -8.779 4.614 -6.954 1.00 0.00 C ATOM 76 CG2 VAL A 5 -9.275 5.819 -4.795 1.00 0.00 C ATOM 0 H VAL A 5 -6.558 5.704 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.037 3.336 -4.716 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.507 6.018 -5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.353 5.376 -7.481 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.975 4.255 -7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.433 3.782 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.839 6.556 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.947 5.030 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.818 6.302 -3.931 1.00 0.00 H new ATOM 86 N ALA A 6 -6.176 2.321 -5.890 1.00 0.00 N ATOM 87 CA ALA A 6 -5.109 1.671 -6.631 1.00 0.00 C ATOM 88 C ALA A 6 -5.442 1.697 -8.125 1.00 0.00 C ATOM 89 O ALA A 6 -6.570 1.406 -8.518 1.00 0.00 O ATOM 90 CB ALA A 6 -4.913 0.248 -6.102 1.00 0.00 C ATOM 0 H ALA A 6 -6.895 1.690 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.167 2.203 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.112 -0.240 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.650 0.286 -5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.837 -0.317 -6.226 1.00 0.00 H new ATOM 96 N LEU A 7 -4.438 2.049 -8.915 1.00 0.00 N ATOM 97 CA LEU A 7 -4.610 2.117 -10.357 1.00 0.00 C ATOM 98 C LEU A 7 -3.810 0.991 -11.016 1.00 0.00 C ATOM 99 O LEU A 7 -4.353 0.210 -11.794 1.00 0.00 O ATOM 100 CB LEU A 7 -4.252 3.511 -10.874 1.00 0.00 C ATOM 101 CG LEU A 7 -5.156 4.072 -11.974 1.00 0.00 C ATOM 102 CD1 LEU A 7 -5.922 5.300 -11.480 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.355 4.368 -13.244 1.00 0.00 C ATOM 0 H LEU A 7 -3.504 2.290 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.656 1.963 -10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.265 4.203 -10.032 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.229 3.486 -11.250 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.895 3.313 -12.230 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.557 5.679 -12.281 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.541 5.024 -10.626 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.215 6.074 -11.180 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.021 4.766 -14.010 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.579 5.101 -13.022 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.894 3.449 -13.606 1.00 0.00 H new ATOM 115 N TYR A 8 -2.529 0.945 -10.679 1.00 0.00 N ATOM 116 CA TYR A 8 -1.647 -0.072 -11.228 1.00 0.00 C ATOM 117 C TYR A 8 -0.966 -0.867 -10.112 1.00 0.00 C ATOM 118 O TYR A 8 -0.985 -0.458 -8.952 1.00 0.00 O ATOM 119 CB TYR A 8 -0.580 0.682 -12.024 1.00 0.00 C ATOM 120 CG TYR A 8 -0.552 0.330 -13.513 1.00 0.00 C ATOM 121 CD1 TYR A 8 -0.136 -0.922 -13.919 1.00 0.00 C ATOM 122 CD2 TYR A 8 -0.940 1.266 -14.450 1.00 0.00 C ATOM 123 CE1 TYR A 8 -0.110 -1.253 -15.320 1.00 0.00 C ATOM 124 CE2 TYR A 8 -0.913 0.935 -15.851 1.00 0.00 C ATOM 125 CZ TYR A 8 -0.499 -0.307 -16.217 1.00 0.00 C ATOM 126 OH TYR A 8 -0.474 -0.620 -17.541 1.00 0.00 O ATOM 0 H TYR A 8 -2.081 1.595 -10.033 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.208 -0.776 -11.842 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.751 1.753 -11.917 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.398 0.470 -11.592 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.170 -1.653 -13.186 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.264 2.246 -14.133 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.211 -2.230 -15.651 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.215 1.658 -16.595 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.779 0.150 -18.065 1.00 0.00 H new ATOM 136 N ASP A 9 -0.382 -1.991 -10.502 1.00 0.00 N ATOM 137 CA ASP A 9 0.303 -2.848 -9.550 1.00 0.00 C ATOM 138 C ASP A 9 1.813 -2.643 -9.680 1.00 0.00 C ATOM 139 O ASP A 9 2.263 -1.754 -10.403 1.00 0.00 O ATOM 140 CB ASP A 9 0.001 -4.323 -9.820 1.00 0.00 C ATOM 141 CG ASP A 9 -0.515 -4.630 -11.227 1.00 0.00 C ATOM 142 OD1 ASP A 9 -1.575 -5.250 -11.397 1.00 0.00 O ATOM 143 OD2 ASP A 9 0.230 -4.199 -12.187 1.00 0.00 O ATOM 0 H ASP A 9 -0.369 -2.328 -11.465 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.044 -2.586 -8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.909 -4.902 -9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.738 -4.666 -9.095 1.00 0.00 H new ATOM 149 N TYR A 10 2.556 -3.478 -8.968 1.00 0.00 N ATOM 150 CA TYR A 10 4.007 -3.400 -8.995 1.00 0.00 C ATOM 151 C TYR A 10 4.632 -4.796 -8.956 1.00 0.00 C ATOM 152 O TYR A 10 3.936 -5.786 -8.738 1.00 0.00 O ATOM 153 CB TYR A 10 4.411 -2.636 -7.733 1.00 0.00 C ATOM 154 CG TYR A 10 5.510 -1.597 -7.960 1.00 0.00 C ATOM 155 CD1 TYR A 10 5.300 -0.550 -8.834 1.00 0.00 C ATOM 156 CD2 TYR A 10 6.712 -1.706 -7.290 1.00 0.00 C ATOM 157 CE1 TYR A 10 6.335 0.429 -9.047 1.00 0.00 C ATOM 158 CE2 TYR A 10 7.747 -0.729 -7.504 1.00 0.00 C ATOM 159 CZ TYR A 10 7.508 0.291 -8.371 1.00 0.00 C ATOM 160 OH TYR A 10 8.486 1.215 -8.573 1.00 0.00 O ATOM 0 H TYR A 10 2.180 -4.213 -8.368 1.00 0.00 H new ATOM 0 HA TYR A 10 4.349 -2.910 -9.907 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.532 -2.137 -7.326 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.749 -3.349 -6.981 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.360 -0.465 -9.358 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.876 -2.525 -6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.184 1.254 -9.728 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.692 -0.804 -6.987 1.00 0.00 H new ATOM 0 HH TYR A 10 9.266 0.991 -8.024 1.00 0.00 H new ATOM 170 N GLU A 11 5.939 -4.830 -9.171 1.00 0.00 N ATOM 171 CA GLU A 11 6.666 -6.087 -9.162 1.00 0.00 C ATOM 172 C GLU A 11 7.709 -6.091 -8.043 1.00 0.00 C ATOM 173 O GLU A 11 8.564 -5.208 -7.984 1.00 0.00 O ATOM 174 CB GLU A 11 7.320 -6.352 -10.520 1.00 0.00 C ATOM 175 CG GLU A 11 6.373 -7.123 -11.443 1.00 0.00 C ATOM 176 CD GLU A 11 5.720 -6.188 -12.463 1.00 0.00 C ATOM 177 OE1 GLU A 11 6.327 -5.882 -13.501 1.00 0.00 O ATOM 178 OE2 GLU A 11 4.539 -5.776 -12.148 1.00 0.00 O ATOM 0 H GLU A 11 6.513 -4.007 -9.352 1.00 0.00 H new ATOM 0 HA GLU A 11 5.956 -6.892 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.597 -5.406 -10.985 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.240 -6.920 -10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.924 -7.906 -11.963 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.602 -7.615 -10.850 1.00 0.00 H new ATOM 186 N ALA A 12 7.604 -7.091 -7.182 1.00 0.00 N ATOM 187 CA ALA A 12 8.527 -7.221 -6.067 1.00 0.00 C ATOM 188 C ALA A 12 8.730 -8.704 -5.748 1.00 0.00 C ATOM 189 O ALA A 12 7.927 -9.545 -6.149 1.00 0.00 O ATOM 190 CB ALA A 12 7.992 -6.435 -4.867 1.00 0.00 C ATOM 0 H ALA A 12 6.893 -7.820 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 12 9.500 -6.803 -6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.684 -6.532 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.893 -5.383 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.017 -6.829 -4.579 1.00 0.00 H new ATOM 196 N ARG A 13 9.809 -8.978 -5.030 1.00 0.00 N ATOM 197 CA ARG A 13 10.128 -10.345 -4.652 1.00 0.00 C ATOM 198 C ARG A 13 10.995 -10.359 -3.392 1.00 0.00 C ATOM 199 O ARG A 13 12.002 -11.062 -3.334 1.00 0.00 O ATOM 200 CB ARG A 13 10.868 -11.069 -5.779 1.00 0.00 C ATOM 201 CG ARG A 13 10.743 -12.587 -5.632 1.00 0.00 C ATOM 202 CD ARG A 13 11.869 -13.304 -6.377 1.00 0.00 C ATOM 203 NE ARG A 13 11.628 -14.765 -6.373 1.00 0.00 N ATOM 204 CZ ARG A 13 11.032 -15.436 -7.382 1.00 0.00 C ATOM 205 NH1 ARG A 13 10.612 -14.783 -8.485 1.00 0.00 N ATOM 206 NH2 ARG A 13 10.867 -16.741 -7.272 1.00 0.00 N ATOM 0 H ARG A 13 10.473 -8.278 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 13 9.189 -10.863 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.463 -10.759 -6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.920 -10.785 -5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.771 -12.857 -4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.779 -12.915 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.928 -12.939 -7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.827 -13.084 -5.905 1.00 0.00 H new ATOM 0 HE ARG A 13 11.931 -15.298 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.744 -13.774 -8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.163 -15.298 -9.242 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.188 -17.227 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.419 -17.264 -8.025 1.00 0.00 H new ATOM 219 N THR A 14 10.571 -9.573 -2.412 1.00 0.00 N ATOM 220 CA THR A 14 11.296 -9.486 -1.156 1.00 0.00 C ATOM 221 C THR A 14 10.427 -9.994 -0.004 1.00 0.00 C ATOM 222 O THR A 14 9.246 -10.278 -0.190 1.00 0.00 O ATOM 223 CB THR A 14 11.759 -8.039 -0.976 1.00 0.00 C ATOM 224 OG1 THR A 14 11.572 -7.452 -2.261 1.00 0.00 O ATOM 225 CG2 THR A 14 13.266 -7.932 -0.734 1.00 0.00 C ATOM 0 H THR A 14 9.735 -8.991 -2.463 1.00 0.00 H new ATOM 0 HA THR A 14 12.179 -10.126 -1.163 1.00 0.00 H new ATOM 0 HB THR A 14 11.224 -7.589 -0.140 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.387 -6.495 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.542 -6.884 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.530 -8.483 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.802 -8.352 -1.585 1.00 0.00 H new ATOM 233 N GLU A 15 11.047 -10.093 1.163 1.00 0.00 N ATOM 234 CA GLU A 15 10.346 -10.561 2.346 1.00 0.00 C ATOM 235 C GLU A 15 9.515 -9.429 2.954 1.00 0.00 C ATOM 236 O GLU A 15 8.359 -9.631 3.320 1.00 0.00 O ATOM 237 CB GLU A 15 11.324 -11.134 3.373 1.00 0.00 C ATOM 238 CG GLU A 15 11.052 -12.619 3.621 1.00 0.00 C ATOM 239 CD GLU A 15 10.154 -12.815 4.845 1.00 0.00 C ATOM 240 OE1 GLU A 15 9.464 -11.873 5.264 1.00 0.00 O ATOM 241 OE2 GLU A 15 10.188 -13.996 5.362 1.00 0.00 O ATOM 0 H GLU A 15 12.028 -9.857 1.314 1.00 0.00 H new ATOM 0 HA GLU A 15 9.670 -11.363 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.347 -11.002 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.237 -10.583 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.577 -13.057 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.995 -13.145 3.769 1.00 0.00 H new ATOM 249 N ASP A 16 10.136 -8.262 3.041 1.00 0.00 N ATOM 250 CA ASP A 16 9.470 -7.097 3.597 1.00 0.00 C ATOM 251 C ASP A 16 8.408 -6.605 2.612 1.00 0.00 C ATOM 252 O ASP A 16 7.246 -6.433 2.980 1.00 0.00 O ATOM 253 CB ASP A 16 10.459 -5.956 3.835 1.00 0.00 C ATOM 254 CG ASP A 16 11.629 -6.297 4.761 1.00 0.00 C ATOM 255 OD1 ASP A 16 11.519 -6.195 5.992 1.00 0.00 O ATOM 256 OD2 ASP A 16 12.703 -6.686 4.163 1.00 0.00 O ATOM 0 H ASP A 16 11.095 -8.098 2.735 1.00 0.00 H new ATOM 0 HA ASP A 16 9.021 -7.387 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.858 -5.635 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.918 -5.108 4.255 1.00 0.00 H new ATOM 262 N ASP A 17 8.844 -6.392 1.379 1.00 0.00 N ATOM 263 CA ASP A 17 7.945 -5.922 0.338 1.00 0.00 C ATOM 264 C ASP A 17 7.192 -7.114 -0.254 1.00 0.00 C ATOM 265 O ASP A 17 7.630 -8.256 -0.127 1.00 0.00 O ATOM 266 CB ASP A 17 8.720 -5.242 -0.792 1.00 0.00 C ATOM 267 CG ASP A 17 9.943 -4.439 -0.346 1.00 0.00 C ATOM 268 OD1 ASP A 17 10.989 -4.445 -1.013 1.00 0.00 O ATOM 269 OD2 ASP A 17 9.792 -3.778 0.752 1.00 0.00 O ATOM 0 H ASP A 17 9.808 -6.536 1.077 1.00 0.00 H new ATOM 0 HA ASP A 17 7.256 -5.205 0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.044 -6.005 -1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.043 -4.577 -1.327 1.00 0.00 H new ATOM 275 N LEU A 18 6.070 -6.807 -0.892 1.00 0.00 N ATOM 276 CA LEU A 18 5.251 -7.839 -1.505 1.00 0.00 C ATOM 277 C LEU A 18 4.477 -7.238 -2.679 1.00 0.00 C ATOM 278 O LEU A 18 4.214 -6.037 -2.704 1.00 0.00 O ATOM 279 CB LEU A 18 4.360 -8.509 -0.457 1.00 0.00 C ATOM 280 CG LEU A 18 4.397 -10.038 -0.425 1.00 0.00 C ATOM 281 CD1 LEU A 18 4.675 -10.551 0.989 1.00 0.00 C ATOM 282 CD2 LEU A 18 3.109 -10.629 -1.005 1.00 0.00 C ATOM 0 H LEU A 18 5.710 -5.858 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 18 5.878 -8.634 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.647 -8.138 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.331 -8.194 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 18 5.220 -10.373 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.696 -11.641 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.638 -10.171 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.890 -10.207 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.160 -11.717 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.256 -10.287 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.993 -10.304 -2.039 1.00 0.00 H new ATOM 294 N SER A 19 4.130 -8.101 -3.622 1.00 0.00 N ATOM 295 CA SER A 19 3.390 -7.671 -4.796 1.00 0.00 C ATOM 296 C SER A 19 1.954 -7.315 -4.407 1.00 0.00 C ATOM 297 O SER A 19 1.452 -7.776 -3.382 1.00 0.00 O ATOM 298 CB SER A 19 3.395 -8.752 -5.877 1.00 0.00 C ATOM 299 OG SER A 19 4.616 -9.486 -5.892 1.00 0.00 O ATOM 0 H SER A 19 4.348 -9.097 -3.597 1.00 0.00 H new ATOM 0 HA SER A 19 3.879 -6.786 -5.204 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.563 -9.436 -5.710 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.237 -8.291 -6.852 1.00 0.00 H new ATOM 0 HG SER A 19 4.579 -10.168 -6.595 1.00 0.00 H new ATOM 305 N PHE A 20 1.331 -6.500 -5.246 1.00 0.00 N ATOM 306 CA PHE A 20 -0.038 -6.078 -5.003 1.00 0.00 C ATOM 307 C PHE A 20 -0.838 -6.036 -6.306 1.00 0.00 C ATOM 308 O PHE A 20 -0.282 -6.229 -7.386 1.00 0.00 O ATOM 309 CB PHE A 20 0.027 -4.668 -4.412 1.00 0.00 C ATOM 310 CG PHE A 20 0.095 -4.636 -2.884 1.00 0.00 C ATOM 311 CD1 PHE A 20 -0.944 -5.115 -2.147 1.00 0.00 C ATOM 312 CD2 PHE A 20 1.193 -4.130 -2.263 1.00 0.00 C ATOM 313 CE1 PHE A 20 -0.880 -5.085 -0.729 1.00 0.00 C ATOM 314 CE2 PHE A 20 1.257 -4.100 -0.844 1.00 0.00 C ATOM 315 CZ PHE A 20 0.219 -4.578 -0.108 1.00 0.00 C ATOM 0 H PHE A 20 1.750 -6.121 -6.095 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.530 -6.779 -4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.901 -4.156 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.849 -4.108 -4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.816 -5.518 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.017 -3.751 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.704 -5.465 -0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.129 -3.698 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.267 -4.555 0.971 1.00 0.00 H new ATOM 325 N HIS A 21 -2.131 -5.784 -6.162 1.00 0.00 N ATOM 326 CA HIS A 21 -3.013 -5.713 -7.314 1.00 0.00 C ATOM 327 C HIS A 21 -3.947 -4.509 -7.173 1.00 0.00 C ATOM 328 O HIS A 21 -4.235 -4.069 -6.061 1.00 0.00 O ATOM 329 CB HIS A 21 -3.768 -7.031 -7.500 1.00 0.00 C ATOM 330 CG HIS A 21 -3.379 -7.790 -8.745 1.00 0.00 C ATOM 331 ND1 HIS A 21 -3.233 -9.167 -8.769 1.00 0.00 N ATOM 332 CD2 HIS A 21 -3.109 -7.353 -10.009 1.00 0.00 C ATOM 333 CE1 HIS A 21 -2.888 -9.530 -9.996 1.00 0.00 C ATOM 334 NE2 HIS A 21 -2.812 -8.405 -10.762 1.00 0.00 N ATOM 0 H HIS A 21 -2.589 -5.626 -5.264 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.424 -5.567 -8.220 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.592 -7.665 -6.631 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -4.838 -6.824 -7.532 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.133 -6.325 -10.341 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.700 -10.540 -10.330 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -2.567 -8.376 -11.752 1.00 0.00 H new ATOM 342 N LYS A 22 -4.394 -4.011 -8.316 1.00 0.00 N ATOM 343 CA LYS A 22 -5.290 -2.867 -8.335 1.00 0.00 C ATOM 344 C LYS A 22 -6.707 -3.328 -7.993 1.00 0.00 C ATOM 345 O LYS A 22 -7.059 -4.485 -8.220 1.00 0.00 O ATOM 346 CB LYS A 22 -5.189 -2.129 -9.672 1.00 0.00 C ATOM 347 CG LYS A 22 -5.351 -3.097 -10.845 1.00 0.00 C ATOM 348 CD LYS A 22 -6.027 -2.410 -12.034 1.00 0.00 C ATOM 349 CE LYS A 22 -5.853 -3.230 -13.314 1.00 0.00 C ATOM 350 NZ LYS A 22 -5.669 -2.337 -14.480 1.00 0.00 N ATOM 0 H LYS A 22 -4.152 -4.379 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.998 -2.143 -7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.957 -1.357 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.225 -1.625 -9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.374 -3.475 -11.146 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.943 -3.957 -10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.088 -2.276 -11.825 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.602 -1.416 -12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.992 -3.891 -13.215 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.726 -3.864 -13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.552 -2.909 -15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.503 -1.724 -14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.823 -1.750 -14.337 1.00 0.00 H new ATOM 363 N GLY A 23 -7.483 -2.401 -7.451 1.00 0.00 N ATOM 364 CA GLY A 23 -8.854 -2.697 -7.075 1.00 0.00 C ATOM 365 C GLY A 23 -8.997 -2.799 -5.554 1.00 0.00 C ATOM 366 O GLY A 23 -10.085 -2.603 -5.015 1.00 0.00 O ATOM 0 H GLY A 23 -7.187 -1.443 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.515 -1.918 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.167 -3.633 -7.537 1.00 0.00 H new ATOM 370 N GLU A 24 -7.881 -3.104 -4.907 1.00 0.00 N ATOM 371 CA GLU A 24 -7.868 -3.233 -3.459 1.00 0.00 C ATOM 372 C GLU A 24 -7.753 -1.855 -2.805 1.00 0.00 C ATOM 373 O GLU A 24 -7.252 -0.913 -3.417 1.00 0.00 O ATOM 374 CB GLU A 24 -6.736 -4.154 -3.002 1.00 0.00 C ATOM 375 CG GLU A 24 -6.881 -5.548 -3.616 1.00 0.00 C ATOM 376 CD GLU A 24 -5.794 -6.492 -3.097 1.00 0.00 C ATOM 377 OE1 GLU A 24 -5.123 -7.163 -3.895 1.00 0.00 O ATOM 378 OE2 GLU A 24 -5.657 -6.513 -1.815 1.00 0.00 O ATOM 0 H GLU A 24 -6.981 -3.265 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.809 -3.685 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.776 -3.725 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.740 -4.229 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.864 -5.954 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.819 -5.479 -4.702 1.00 0.00 H new ATOM 386 N LYS A 25 -8.223 -1.781 -1.569 1.00 0.00 N ATOM 387 CA LYS A 25 -8.180 -0.535 -0.824 1.00 0.00 C ATOM 388 C LYS A 25 -7.049 -0.599 0.205 1.00 0.00 C ATOM 389 O LYS A 25 -6.896 -1.601 0.902 1.00 0.00 O ATOM 390 CB LYS A 25 -9.548 -0.225 -0.215 1.00 0.00 C ATOM 391 CG LYS A 25 -10.655 -1.002 -0.930 1.00 0.00 C ATOM 392 CD LYS A 25 -11.494 -1.804 0.068 1.00 0.00 C ATOM 393 CE LYS A 25 -12.200 -2.972 -0.624 1.00 0.00 C ATOM 394 NZ LYS A 25 -12.921 -2.503 -1.827 1.00 0.00 N ATOM 0 H LYS A 25 -8.636 -2.565 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.959 0.298 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.545 -0.481 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.747 0.845 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.296 -0.310 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.215 -1.676 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.854 -2.182 0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.233 -1.152 0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.470 -3.732 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.900 -3.442 0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.615 -3.221 -2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.413 -1.613 -1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.242 -2.345 -2.599 1.00 0.00 H new ATOM 407 N PHE A 26 -6.285 0.481 0.266 1.00 0.00 N ATOM 408 CA PHE A 26 -5.173 0.559 1.198 1.00 0.00 C ATOM 409 C PHE A 26 -5.364 1.713 2.185 1.00 0.00 C ATOM 410 O PHE A 26 -5.496 2.867 1.778 1.00 0.00 O ATOM 411 CB PHE A 26 -3.913 0.817 0.369 1.00 0.00 C ATOM 412 CG PHE A 26 -3.702 -0.184 -0.769 1.00 0.00 C ATOM 413 CD1 PHE A 26 -3.683 -1.517 -0.507 1.00 0.00 C ATOM 414 CD2 PHE A 26 -3.533 0.263 -2.043 1.00 0.00 C ATOM 415 CE1 PHE A 26 -3.487 -2.446 -1.565 1.00 0.00 C ATOM 416 CE2 PHE A 26 -3.336 -0.665 -3.100 1.00 0.00 C ATOM 417 CZ PHE A 26 -3.318 -1.999 -2.838 1.00 0.00 C ATOM 0 H PHE A 26 -6.414 1.310 -0.315 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.102 -0.366 1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.965 1.822 -0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.045 0.791 1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.817 -1.871 0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.549 1.323 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.472 -3.506 -1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.201 -0.311 -4.111 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.169 -2.705 -3.642 1.00 0.00 H new ATOM 427 N GLN A 27 -5.373 1.361 3.463 1.00 0.00 N ATOM 428 CA GLN A 27 -5.546 2.353 4.510 1.00 0.00 C ATOM 429 C GLN A 27 -4.185 2.860 4.992 1.00 0.00 C ATOM 430 O GLN A 27 -3.161 2.585 4.368 1.00 0.00 O ATOM 431 CB GLN A 27 -6.362 1.785 5.674 1.00 0.00 C ATOM 432 CG GLN A 27 -7.829 2.208 5.572 1.00 0.00 C ATOM 433 CD GLN A 27 -8.758 0.999 5.706 1.00 0.00 C ATOM 434 OE1 GLN A 27 -9.305 0.495 4.739 1.00 0.00 O ATOM 435 NE2 GLN A 27 -8.904 0.565 6.954 1.00 0.00 N ATOM 0 H GLN A 27 -5.263 0.403 3.796 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.100 3.196 4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.293 0.697 5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.944 2.132 6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.057 2.935 6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.004 2.701 4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.416 1.034 7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.504 -0.237 7.148 1.00 0.00 H new ATOM 444 N ILE A 28 -4.218 3.592 6.095 1.00 0.00 N ATOM 445 CA ILE A 28 -3.000 4.140 6.667 1.00 0.00 C ATOM 446 C ILE A 28 -2.741 3.488 8.026 1.00 0.00 C ATOM 447 O ILE A 28 -3.665 2.978 8.660 1.00 0.00 O ATOM 448 CB ILE A 28 -3.074 5.667 6.721 1.00 0.00 C ATOM 449 CG1 ILE A 28 -4.251 6.129 7.582 1.00 0.00 C ATOM 450 CG2 ILE A 28 -3.125 6.265 5.314 1.00 0.00 C ATOM 451 CD1 ILE A 28 -4.115 7.608 7.951 1.00 0.00 C ATOM 0 H ILE A 28 -5.070 3.819 6.608 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.144 3.908 6.034 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.164 6.035 7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.185 5.970 7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.300 5.527 8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.177 7.352 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.228 5.979 4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.006 5.892 4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.965 7.910 8.563 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.192 7.760 8.511 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.091 8.209 7.042 1.00 0.00 H new ATOM 463 N LEU A 29 -1.481 3.525 8.434 1.00 0.00 N ATOM 464 CA LEU A 29 -1.089 2.944 9.707 1.00 0.00 C ATOM 465 C LEU A 29 0.174 3.643 10.214 1.00 0.00 C ATOM 466 O LEU A 29 0.115 4.432 11.155 1.00 0.00 O ATOM 467 CB LEU A 29 -0.945 1.426 9.581 1.00 0.00 C ATOM 468 CG LEU A 29 -1.038 0.633 10.886 1.00 0.00 C ATOM 469 CD1 LEU A 29 -2.489 0.524 11.359 1.00 0.00 C ATOM 470 CD2 LEU A 29 -0.378 -0.740 10.741 1.00 0.00 C ATOM 0 H LEU A 29 -0.718 3.948 7.905 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.865 3.106 10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.717 1.063 8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.016 1.210 9.115 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.488 1.175 11.655 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.527 -0.044 12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.893 1.522 11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.082 0.016 10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.458 -1.283 11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.879 -1.303 9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.674 -0.613 10.484 1.00 0.00 H new ATOM 482 N ASN A 30 1.287 3.324 9.570 1.00 0.00 N ATOM 483 CA ASN A 30 2.562 3.911 9.943 1.00 0.00 C ATOM 484 C ASN A 30 2.816 5.155 9.089 1.00 0.00 C ATOM 485 O ASN A 30 2.317 5.256 7.969 1.00 0.00 O ATOM 486 CB ASN A 30 3.711 2.930 9.704 1.00 0.00 C ATOM 487 CG ASN A 30 4.712 2.964 10.861 1.00 0.00 C ATOM 488 OD1 ASN A 30 5.517 3.871 10.993 1.00 0.00 O ATOM 489 ND2 ASN A 30 4.615 1.929 11.691 1.00 0.00 N ATOM 0 H ASN A 30 1.332 2.666 8.792 1.00 0.00 H new ATOM 0 HA ASN A 30 2.519 4.165 11.002 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.315 1.921 9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.219 3.179 8.772 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.237 1.861 12.496 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.918 1.204 11.522 1.00 0.00 H new ATOM 496 N SER A 31 3.594 6.070 9.648 1.00 0.00 N ATOM 497 CA SER A 31 3.920 7.302 8.952 1.00 0.00 C ATOM 498 C SER A 31 5.140 7.963 9.600 1.00 0.00 C ATOM 499 O SER A 31 4.997 8.810 10.479 1.00 0.00 O ATOM 500 CB SER A 31 2.733 8.266 8.951 1.00 0.00 C ATOM 501 OG SER A 31 1.996 8.204 7.734 1.00 0.00 O ATOM 0 H SER A 31 4.008 5.982 10.576 1.00 0.00 H new ATOM 0 HA SER A 31 4.154 7.057 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.074 8.030 9.786 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.092 9.283 9.106 1.00 0.00 H new ATOM 0 HG SER A 31 1.890 7.268 7.463 1.00 0.00 H new ATOM 507 N SER A 32 6.311 7.548 9.140 1.00 0.00 N ATOM 508 CA SER A 32 7.554 8.088 9.665 1.00 0.00 C ATOM 509 C SER A 32 8.001 9.285 8.822 1.00 0.00 C ATOM 510 O SER A 32 7.392 10.352 8.881 1.00 0.00 O ATOM 511 CB SER A 32 8.650 7.021 9.694 1.00 0.00 C ATOM 512 OG SER A 32 8.336 5.910 8.859 1.00 0.00 O ATOM 0 H SER A 32 6.426 6.845 8.410 1.00 0.00 H new ATOM 0 HA SER A 32 7.378 8.417 10.689 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.593 7.462 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.793 6.676 10.718 1.00 0.00 H new ATOM 0 HG SER A 32 9.061 5.252 8.904 1.00 0.00 H new ATOM 518 N GLU A 33 9.061 9.065 8.056 1.00 0.00 N ATOM 519 CA GLU A 33 9.596 10.112 7.203 1.00 0.00 C ATOM 520 C GLU A 33 8.828 10.165 5.881 1.00 0.00 C ATOM 521 O GLU A 33 7.973 11.029 5.689 1.00 0.00 O ATOM 522 CB GLU A 33 11.093 9.909 6.959 1.00 0.00 C ATOM 523 CG GLU A 33 11.718 11.150 6.321 1.00 0.00 C ATOM 524 CD GLU A 33 12.666 10.764 5.184 1.00 0.00 C ATOM 525 OE1 GLU A 33 12.297 10.871 4.005 1.00 0.00 O ATOM 526 OE2 GLU A 33 13.826 10.342 5.560 1.00 0.00 O ATOM 0 H GLU A 33 9.562 8.178 8.009 1.00 0.00 H new ATOM 0 HA GLU A 33 9.470 11.067 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.592 9.690 7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.246 9.046 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.932 11.801 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.262 11.717 7.076 1.00 0.00 H new ATOM 534 N GLY A 34 9.157 9.228 5.004 1.00 0.00 N ATOM 535 CA GLY A 34 8.508 9.157 3.706 1.00 0.00 C ATOM 536 C GLY A 34 9.268 8.220 2.764 1.00 0.00 C ATOM 537 O GLY A 34 10.048 8.673 1.928 1.00 0.00 O ATOM 0 H GLY A 34 9.865 8.512 5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.483 8.805 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.453 10.153 3.268 1.00 0.00 H new ATOM 541 N ASP A 35 9.014 6.931 2.932 1.00 0.00 N ATOM 542 CA ASP A 35 9.663 5.926 2.107 1.00 0.00 C ATOM 543 C ASP A 35 8.694 4.768 1.862 1.00 0.00 C ATOM 544 O ASP A 35 7.943 4.777 0.888 1.00 0.00 O ATOM 545 CB ASP A 35 10.906 5.364 2.800 1.00 0.00 C ATOM 546 CG ASP A 35 12.205 5.492 2.002 1.00 0.00 C ATOM 547 OD1 ASP A 35 12.297 5.030 0.854 1.00 0.00 O ATOM 548 OD2 ASP A 35 13.162 6.103 2.613 1.00 0.00 O ATOM 0 H ASP A 35 8.367 6.559 3.628 1.00 0.00 H new ATOM 0 HA ASP A 35 9.955 6.398 1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.032 5.873 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.735 4.310 3.021 1.00 0.00 H new ATOM 554 N TRP A 36 8.741 3.798 2.764 1.00 0.00 N ATOM 555 CA TRP A 36 7.877 2.635 2.658 1.00 0.00 C ATOM 556 C TRP A 36 6.711 2.823 3.631 1.00 0.00 C ATOM 557 O TRP A 36 6.876 2.670 4.840 1.00 0.00 O ATOM 558 CB TRP A 36 8.660 1.345 2.907 1.00 0.00 C ATOM 559 CG TRP A 36 9.718 1.045 1.843 1.00 0.00 C ATOM 560 CD1 TRP A 36 9.594 1.119 0.511 1.00 0.00 C ATOM 561 CD2 TRP A 36 11.077 0.617 2.078 1.00 0.00 C ATOM 562 NE1 TRP A 36 10.767 0.771 -0.128 1.00 0.00 N ATOM 563 CE2 TRP A 36 11.697 0.457 0.855 1.00 0.00 C ATOM 564 CE3 TRP A 36 11.759 0.374 3.283 1.00 0.00 C ATOM 565 CZ2 TRP A 36 13.029 0.048 0.720 1.00 0.00 C ATOM 566 CZ3 TRP A 36 13.088 -0.035 3.130 1.00 0.00 C ATOM 567 CH2 TRP A 36 13.728 -0.201 1.907 1.00 0.00 C ATOM 0 H TRP A 36 9.364 3.794 3.571 1.00 0.00 H new ATOM 0 HA TRP A 36 7.478 2.542 1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.146 1.409 3.880 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.960 0.511 2.955 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.689 1.414 0.001 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.922 0.749 -1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 36 11.294 0.494 4.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 13.493 -0.069 -0.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.657 -0.236 4.025 1.00 0.00 H new ATOM 0 HH2 TRP A 36 14.759 -0.520 1.873 1.00 0.00 H new ATOM 578 N TRP A 37 5.558 3.152 3.066 1.00 0.00 N ATOM 579 CA TRP A 37 4.365 3.362 3.868 1.00 0.00 C ATOM 580 C TRP A 37 3.591 2.044 3.919 1.00 0.00 C ATOM 581 O TRP A 37 3.686 1.228 3.003 1.00 0.00 O ATOM 582 CB TRP A 37 3.533 4.524 3.320 1.00 0.00 C ATOM 583 CG TRP A 37 4.041 5.905 3.740 1.00 0.00 C ATOM 584 CD1 TRP A 37 4.696 6.238 4.861 1.00 0.00 C ATOM 585 CD2 TRP A 37 3.905 7.134 2.996 1.00 0.00 C ATOM 586 NE1 TRP A 37 4.992 7.585 4.892 1.00 0.00 N ATOM 587 CE2 TRP A 37 4.496 8.147 3.722 1.00 0.00 C ATOM 588 CE3 TRP A 37 3.304 7.381 1.748 1.00 0.00 C ATOM 589 CZ2 TRP A 37 4.543 9.476 3.284 1.00 0.00 C ATOM 590 CZ3 TRP A 37 3.359 8.714 1.326 1.00 0.00 C ATOM 591 CH2 TRP A 37 3.950 9.746 2.045 1.00 0.00 C ATOM 0 H TRP A 37 5.425 3.278 2.063 1.00 0.00 H new ATOM 0 HA TRP A 37 4.630 3.649 4.886 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.522 4.468 2.232 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.502 4.410 3.656 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.959 5.540 5.642 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.484 8.078 5.637 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.837 6.603 1.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.012 10.252 3.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.910 8.958 0.374 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.952 10.751 1.650 1.00 0.00 H new ATOM 602 N GLU A 38 2.841 1.876 4.999 1.00 0.00 N ATOM 603 CA GLU A 38 2.052 0.670 5.181 1.00 0.00 C ATOM 604 C GLU A 38 0.791 0.726 4.315 1.00 0.00 C ATOM 605 O GLU A 38 0.230 1.798 4.099 1.00 0.00 O ATOM 606 CB GLU A 38 1.695 0.464 6.655 1.00 0.00 C ATOM 607 CG GLU A 38 1.412 -1.010 6.950 1.00 0.00 C ATOM 608 CD GLU A 38 2.701 -1.759 7.292 1.00 0.00 C ATOM 609 OE1 GLU A 38 3.599 -1.189 7.930 1.00 0.00 O ATOM 610 OE2 GLU A 38 2.752 -2.977 6.870 1.00 0.00 O ATOM 0 H GLU A 38 2.763 2.555 5.756 1.00 0.00 H new ATOM 0 HA GLU A 38 2.651 -0.184 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.514 0.814 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.821 1.064 6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.710 -1.090 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.937 -1.473 6.085 1.00 0.00 H new ATOM 618 N ALA A 39 0.384 -0.444 3.843 1.00 0.00 N ATOM 619 CA ALA A 39 -0.800 -0.541 3.007 1.00 0.00 C ATOM 620 C ALA A 39 -1.666 -1.706 3.489 1.00 0.00 C ATOM 621 O ALA A 39 -1.516 -2.833 3.018 1.00 0.00 O ATOM 622 CB ALA A 39 -0.379 -0.694 1.543 1.00 0.00 C ATOM 0 H ALA A 39 0.853 -1.332 4.024 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.398 0.367 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.267 -0.767 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.209 0.173 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.221 -1.597 1.429 1.00 0.00 H new ATOM 628 N ARG A 40 -2.553 -1.395 4.423 1.00 0.00 N ATOM 629 CA ARG A 40 -3.444 -2.402 4.974 1.00 0.00 C ATOM 630 C ARG A 40 -4.704 -2.525 4.115 1.00 0.00 C ATOM 631 O ARG A 40 -5.204 -1.528 3.595 1.00 0.00 O ATOM 632 CB ARG A 40 -3.844 -2.056 6.409 1.00 0.00 C ATOM 633 CG ARG A 40 -4.246 -3.312 7.185 1.00 0.00 C ATOM 634 CD ARG A 40 -5.026 -2.949 8.451 1.00 0.00 C ATOM 635 NE ARG A 40 -5.471 -4.180 9.140 1.00 0.00 N ATOM 636 CZ ARG A 40 -6.572 -4.256 9.919 1.00 0.00 C ATOM 637 NH1 ARG A 40 -7.351 -3.170 10.112 1.00 0.00 N ATOM 638 NH2 ARG A 40 -6.876 -5.407 10.487 1.00 0.00 N ATOM 0 H ARG A 40 -2.674 -0.460 4.812 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.910 -3.352 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.013 -1.563 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.674 -1.350 6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.855 -3.956 6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.355 -3.879 7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.399 -2.356 9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.888 -2.334 8.193 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.912 -5.024 9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.110 -2.284 9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.181 -3.236 10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.283 -6.223 10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.704 -5.481 11.078 1.00 0.00 H new ATOM 651 N SER A 41 -5.181 -3.754 3.993 1.00 0.00 N ATOM 652 CA SER A 41 -6.374 -4.020 3.207 1.00 0.00 C ATOM 653 C SER A 41 -7.492 -4.541 4.112 1.00 0.00 C ATOM 654 O SER A 41 -7.258 -5.394 4.966 1.00 0.00 O ATOM 655 CB SER A 41 -6.085 -5.023 2.089 1.00 0.00 C ATOM 656 OG SER A 41 -5.183 -6.044 2.508 1.00 0.00 O ATOM 0 H SER A 41 -4.763 -4.578 4.425 1.00 0.00 H new ATOM 0 HA SER A 41 -6.695 -3.086 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.019 -5.478 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.665 -4.498 1.231 1.00 0.00 H new ATOM 0 HG SER A 41 -5.025 -6.665 1.767 1.00 0.00 H new ATOM 662 N LEU A 42 -8.685 -4.006 3.893 1.00 0.00 N ATOM 663 CA LEU A 42 -9.840 -4.407 4.677 1.00 0.00 C ATOM 664 C LEU A 42 -10.443 -5.678 4.077 1.00 0.00 C ATOM 665 O LEU A 42 -11.601 -6.002 4.334 1.00 0.00 O ATOM 666 CB LEU A 42 -10.836 -3.251 4.795 1.00 0.00 C ATOM 667 CG LEU A 42 -11.767 -3.286 6.008 1.00 0.00 C ATOM 668 CD1 LEU A 42 -10.968 -3.396 7.309 1.00 0.00 C ATOM 669 CD2 LEU A 42 -12.708 -2.081 6.013 1.00 0.00 C ATOM 0 H LEU A 42 -8.876 -3.298 3.184 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.542 -4.646 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.276 -2.316 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.448 -3.232 3.893 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.389 -4.178 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.654 -3.419 8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.376 -4.311 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.305 -2.536 7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.359 -2.131 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.123 -1.162 6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.315 -2.089 5.107 1.00 0.00 H new ATOM 681 N THR A 43 -9.629 -6.366 3.289 1.00 0.00 N ATOM 682 CA THR A 43 -10.067 -7.595 2.651 1.00 0.00 C ATOM 683 C THR A 43 -9.253 -8.783 3.165 1.00 0.00 C ATOM 684 O THR A 43 -9.784 -9.653 3.854 1.00 0.00 O ATOM 685 CB THR A 43 -9.969 -7.401 1.136 1.00 0.00 C ATOM 686 OG1 THR A 43 -9.966 -5.987 0.966 1.00 0.00 O ATOM 687 CG2 THR A 43 -11.231 -7.862 0.404 1.00 0.00 C ATOM 0 H THR A 43 -8.669 -6.095 3.078 1.00 0.00 H new ATOM 0 HA THR A 43 -11.104 -7.821 2.899 1.00 0.00 H new ATOM 0 HB THR A 43 -9.108 -7.950 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.903 -5.772 0.012 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.109 -7.702 -0.667 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.397 -8.922 0.596 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.088 -7.290 0.761 1.00 0.00 H new ATOM 695 N THR A 44 -7.976 -8.782 2.811 1.00 0.00 N ATOM 696 CA THR A 44 -7.083 -9.849 3.229 1.00 0.00 C ATOM 697 C THR A 44 -6.403 -9.488 4.551 1.00 0.00 C ATOM 698 O THR A 44 -6.162 -10.358 5.387 1.00 0.00 O ATOM 699 CB THR A 44 -6.096 -10.112 2.090 1.00 0.00 C ATOM 700 OG1 THR A 44 -6.511 -9.223 1.058 1.00 0.00 O ATOM 701 CG2 THR A 44 -6.268 -11.503 1.475 1.00 0.00 C ATOM 0 H THR A 44 -7.539 -8.059 2.239 1.00 0.00 H new ATOM 0 HA THR A 44 -7.631 -10.771 3.423 1.00 0.00 H new ATOM 0 HB THR A 44 -5.077 -10.003 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.923 -9.327 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.544 -11.638 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.106 -12.262 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.277 -11.601 1.074 1.00 0.00 H new ATOM 709 N GLY A 45 -6.112 -8.204 4.700 1.00 0.00 N ATOM 710 CA GLY A 45 -5.464 -7.718 5.906 1.00 0.00 C ATOM 711 C GLY A 45 -3.942 -7.784 5.775 1.00 0.00 C ATOM 712 O GLY A 45 -3.219 -7.447 6.712 1.00 0.00 O ATOM 0 H GLY A 45 -6.313 -7.485 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.772 -6.690 6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.785 -8.313 6.761 1.00 0.00 H new ATOM 716 N GLU A 46 -3.498 -8.221 4.606 1.00 0.00 N ATOM 717 CA GLU A 46 -2.073 -8.335 4.340 1.00 0.00 C ATOM 718 C GLU A 46 -1.466 -6.951 4.098 1.00 0.00 C ATOM 719 O GLU A 46 -2.004 -6.160 3.326 1.00 0.00 O ATOM 720 CB GLU A 46 -1.810 -9.265 3.154 1.00 0.00 C ATOM 721 CG GLU A 46 -2.280 -10.689 3.458 1.00 0.00 C ATOM 722 CD GLU A 46 -1.110 -11.571 3.895 1.00 0.00 C ATOM 723 OE1 GLU A 46 -0.253 -11.920 3.068 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.107 -11.895 5.144 1.00 0.00 O ATOM 0 H GLU A 46 -4.100 -8.501 3.831 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.593 -8.772 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.326 -8.889 2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.745 -9.272 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.036 -10.666 4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.752 -11.117 2.573 1.00 0.00 H new ATOM 732 N THR A 47 -0.354 -6.703 4.773 1.00 0.00 N ATOM 733 CA THR A 47 0.333 -5.429 4.641 1.00 0.00 C ATOM 734 C THR A 47 1.705 -5.628 3.993 1.00 0.00 C ATOM 735 O THR A 47 1.979 -6.682 3.423 1.00 0.00 O ATOM 736 CB THR A 47 0.404 -4.786 6.028 1.00 0.00 C ATOM 737 OG1 THR A 47 1.207 -5.685 6.788 1.00 0.00 O ATOM 738 CG2 THR A 47 -0.947 -4.792 6.746 1.00 0.00 C ATOM 0 H THR A 47 0.089 -7.362 5.413 1.00 0.00 H new ATOM 0 HA THR A 47 -0.209 -4.753 3.980 1.00 0.00 H new ATOM 0 HB THR A 47 0.760 -3.760 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.010 -5.220 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.841 -4.325 7.725 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.675 -4.236 6.155 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.289 -5.820 6.870 1.00 0.00 H new ATOM 746 N GLY A 48 2.529 -4.597 4.101 1.00 0.00 N ATOM 747 CA GLY A 48 3.866 -4.644 3.532 1.00 0.00 C ATOM 748 C GLY A 48 4.490 -3.248 3.482 1.00 0.00 C ATOM 749 O GLY A 48 3.826 -2.256 3.778 1.00 0.00 O ATOM 0 H GLY A 48 2.297 -3.724 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.495 -5.306 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.823 -5.063 2.527 1.00 0.00 H new ATOM 753 N TYR A 49 5.761 -3.216 3.107 1.00 0.00 N ATOM 754 CA TYR A 49 6.482 -1.959 3.015 1.00 0.00 C ATOM 755 C TYR A 49 6.696 -1.555 1.554 1.00 0.00 C ATOM 756 O TYR A 49 7.681 -1.953 0.935 1.00 0.00 O ATOM 757 CB TYR A 49 7.843 -2.205 3.669 1.00 0.00 C ATOM 758 CG TYR A 49 7.835 -2.072 5.193 1.00 0.00 C ATOM 759 CD1 TYR A 49 7.534 -3.166 5.979 1.00 0.00 C ATOM 760 CD2 TYR A 49 8.128 -0.859 5.781 1.00 0.00 C ATOM 761 CE1 TYR A 49 7.526 -3.040 7.413 1.00 0.00 C ATOM 762 CE2 TYR A 49 8.120 -0.733 7.216 1.00 0.00 C ATOM 763 CZ TYR A 49 7.820 -1.831 7.961 1.00 0.00 C ATOM 764 OH TYR A 49 7.812 -1.713 9.315 1.00 0.00 O ATOM 0 H TYR A 49 6.309 -4.041 2.864 1.00 0.00 H new ATOM 0 HA TYR A 49 5.923 -1.159 3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.186 -3.205 3.404 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.565 -1.500 3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.305 -4.116 5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.363 -0.004 5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.292 -3.888 8.040 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.347 0.211 7.689 1.00 0.00 H new ATOM 0 HH TYR A 49 8.041 -0.794 9.565 1.00 0.00 H new ATOM 774 N ILE A 50 5.758 -0.769 1.047 1.00 0.00 N ATOM 775 CA ILE A 50 5.832 -0.307 -0.329 1.00 0.00 C ATOM 776 C ILE A 50 5.479 1.181 -0.382 1.00 0.00 C ATOM 777 O ILE A 50 4.936 1.729 0.577 1.00 0.00 O ATOM 778 CB ILE A 50 4.960 -1.178 -1.234 1.00 0.00 C ATOM 779 CG1 ILE A 50 3.760 -1.737 -0.466 1.00 0.00 C ATOM 780 CG2 ILE A 50 5.787 -2.286 -1.889 1.00 0.00 C ATOM 781 CD1 ILE A 50 2.562 -0.791 -0.559 1.00 0.00 C ATOM 0 H ILE A 50 4.943 -0.440 1.564 1.00 0.00 H new ATOM 0 HA ILE A 50 6.848 -0.408 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 50 4.567 -0.552 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.489 -2.713 -0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.030 -1.886 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.143 -2.891 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.580 -1.841 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.228 -2.916 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.723 -1.211 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.829 0.177 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.280 -0.663 -1.604 1.00 0.00 H new ATOM 793 N PRO A 51 5.809 1.809 -1.542 1.00 0.00 N ATOM 794 CA PRO A 51 5.533 3.222 -1.732 1.00 0.00 C ATOM 795 C PRO A 51 4.214 3.427 -2.481 1.00 0.00 C ATOM 796 O PRO A 51 3.907 2.690 -3.418 1.00 0.00 O ATOM 797 CB PRO A 51 6.736 3.760 -2.491 1.00 0.00 C ATOM 798 CG PRO A 51 7.420 2.548 -3.101 1.00 0.00 C ATOM 799 CD PRO A 51 6.851 1.306 -2.432 1.00 0.00 C ATOM 0 HA PRO A 51 5.402 3.755 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.427 4.464 -3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.412 4.295 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.249 2.514 -4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.498 2.602 -2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.443 0.612 -3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.620 0.768 -1.877 1.00 0.00 H new ATOM 807 N SER A 52 3.470 4.432 -2.041 1.00 0.00 N ATOM 808 CA SER A 52 2.192 4.742 -2.658 1.00 0.00 C ATOM 809 C SER A 52 2.235 6.141 -3.277 1.00 0.00 C ATOM 810 O SER A 52 1.443 7.009 -2.915 1.00 0.00 O ATOM 811 CB SER A 52 1.052 4.647 -1.642 1.00 0.00 C ATOM 812 OG SER A 52 1.516 4.240 -0.357 1.00 0.00 O ATOM 0 H SER A 52 3.728 5.041 -1.265 1.00 0.00 H new ATOM 0 HA SER A 52 2.005 4.009 -3.443 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.558 5.615 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.306 3.938 -2.000 1.00 0.00 H new ATOM 0 HG SER A 52 0.759 4.193 0.264 1.00 0.00 H new ATOM 818 N ASN A 53 3.170 6.316 -4.199 1.00 0.00 N ATOM 819 CA ASN A 53 3.327 7.594 -4.872 1.00 0.00 C ATOM 820 C ASN A 53 2.749 7.496 -6.286 1.00 0.00 C ATOM 821 O ASN A 53 2.674 8.496 -7.000 1.00 0.00 O ATOM 822 CB ASN A 53 4.804 7.975 -4.991 1.00 0.00 C ATOM 823 CG ASN A 53 5.290 8.689 -3.727 1.00 0.00 C ATOM 824 OD1 ASN A 53 5.743 9.821 -3.758 1.00 0.00 O ATOM 825 ND2 ASN A 53 5.172 7.965 -2.618 1.00 0.00 N ATOM 0 H ASN A 53 3.827 5.594 -4.496 1.00 0.00 H new ATOM 0 HA ASN A 53 2.805 8.350 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.402 7.079 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.948 8.622 -5.856 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.470 8.352 -1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.784 7.023 -2.663 1.00 0.00 H new ATOM 832 N TYR A 54 2.354 6.285 -6.647 1.00 0.00 N ATOM 833 CA TYR A 54 1.785 6.044 -7.961 1.00 0.00 C ATOM 834 C TYR A 54 0.256 6.014 -7.900 1.00 0.00 C ATOM 835 O TYR A 54 -0.406 5.820 -8.918 1.00 0.00 O ATOM 836 CB TYR A 54 2.293 4.667 -8.395 1.00 0.00 C ATOM 837 CG TYR A 54 3.746 4.662 -8.871 1.00 0.00 C ATOM 838 CD1 TYR A 54 4.773 4.750 -7.954 1.00 0.00 C ATOM 839 CD2 TYR A 54 4.031 4.569 -10.219 1.00 0.00 C ATOM 840 CE1 TYR A 54 6.142 4.745 -8.402 1.00 0.00 C ATOM 841 CE2 TYR A 54 5.400 4.564 -10.667 1.00 0.00 C ATOM 842 CZ TYR A 54 6.387 4.652 -9.737 1.00 0.00 C ATOM 843 OH TYR A 54 7.680 4.648 -10.160 1.00 0.00 O ATOM 0 H TYR A 54 2.417 5.459 -6.052 1.00 0.00 H new ATOM 0 HA TYR A 54 2.074 6.834 -8.654 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.193 3.974 -7.560 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.657 4.293 -9.197 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.550 4.823 -6.900 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.227 4.500 -10.937 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.955 4.813 -7.695 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.637 4.492 -11.718 1.00 0.00 H new ATOM 0 HH TYR A 54 7.704 4.576 -11.137 1.00 0.00 H new ATOM 853 N VAL A 55 -0.260 6.210 -6.695 1.00 0.00 N ATOM 854 CA VAL A 55 -1.698 6.208 -6.487 1.00 0.00 C ATOM 855 C VAL A 55 -2.181 7.646 -6.285 1.00 0.00 C ATOM 856 O VAL A 55 -1.399 8.589 -6.398 1.00 0.00 O ATOM 857 CB VAL A 55 -2.056 5.287 -5.319 1.00 0.00 C ATOM 858 CG1 VAL A 55 -1.776 3.824 -5.669 1.00 0.00 C ATOM 859 CG2 VAL A 55 -1.312 5.698 -4.047 1.00 0.00 C ATOM 0 H VAL A 55 0.292 6.371 -5.853 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.211 5.813 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.125 5.388 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.039 3.190 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.371 3.537 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.718 3.701 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.585 5.027 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.237 5.641 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.583 6.720 -3.781 1.00 0.00 H new ATOM 869 N ALA A 56 -3.467 7.767 -5.991 1.00 0.00 N ATOM 870 CA ALA A 56 -4.064 9.074 -5.773 1.00 0.00 C ATOM 871 C ALA A 56 -5.400 8.904 -5.046 1.00 0.00 C ATOM 872 O ALA A 56 -6.193 8.030 -5.392 1.00 0.00 O ATOM 873 CB ALA A 56 -4.218 9.795 -7.113 1.00 0.00 C ATOM 0 H ALA A 56 -4.112 6.982 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.421 9.689 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.666 10.775 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.239 9.916 -7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.860 9.208 -7.770 1.00 0.00 H new ATOM 879 N PRO A 57 -5.613 9.778 -4.025 1.00 0.00 N ATOM 880 CA PRO A 57 -6.839 9.732 -3.246 1.00 0.00 C ATOM 881 C PRO A 57 -7.965 10.492 -3.951 1.00 0.00 C ATOM 882 O PRO A 57 -7.728 11.179 -4.943 1.00 0.00 O ATOM 883 CB PRO A 57 -6.471 10.332 -1.898 1.00 0.00 C ATOM 884 CG PRO A 57 -5.186 11.112 -2.126 1.00 0.00 C ATOM 885 CD PRO A 57 -4.620 10.695 -3.473 1.00 0.00 C ATOM 0 HA PRO A 57 -7.223 8.719 -3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.264 10.984 -1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.327 9.553 -1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.382 12.184 -2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.469 10.907 -1.331 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.472 11.557 -4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.651 10.209 -3.362 1.00 0.00 H new ATOM 893 N VAL A 58 -9.165 10.343 -3.410 1.00 0.00 N ATOM 894 CA VAL A 58 -10.327 11.006 -3.976 1.00 0.00 C ATOM 895 C VAL A 58 -10.689 12.216 -3.112 1.00 0.00 C ATOM 896 O VAL A 58 -9.837 12.760 -2.411 1.00 0.00 O ATOM 897 CB VAL A 58 -11.480 10.010 -4.120 1.00 0.00 C ATOM 898 CG1 VAL A 58 -11.275 9.108 -5.339 1.00 0.00 C ATOM 899 CG2 VAL A 58 -11.650 9.180 -2.846 1.00 0.00 C ATOM 0 H VAL A 58 -9.358 9.773 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.106 11.375 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.397 10.579 -4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.108 8.409 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.227 9.719 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.344 8.552 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.476 8.480 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.733 8.626 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.863 9.842 -2.006 1.00 0.00 H new