USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 407 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 49 THR OG1 : rot 87:sc= 1.06 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 1.07 USER MOD Set 2.1: A 14 TYR OH : rot -100:sc= 0.56 USER MOD Set 2.2: A 16 THR OG1 : rot -83:sc= 1.96 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -6.41! C(o=-6.4!,f=-15!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.97) USER MOD Single : A 11 ASN : amide:sc=-0.00285 X(o=-0.0029,f=-0.0029) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 166:sc=-0.00887 (180deg=-0.142) USER MOD Single : A 25 THR OG1 : rot -160:sc= -1.21 USER MOD Single : A 28 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.31) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -0.187 (180deg=-1.19) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 26:sc= -0.034 USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= 0.0461 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.81 USER MOD Single : A 55 GLN : amide:sc=-0.00154 X(o=-0.0015,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 41 N TYR A 3 9.478 4.343 -0.154 1.00 0.00 N ATOM 42 CA TYR A 3 8.614 3.273 -0.633 1.00 0.00 C ATOM 43 C TYR A 3 7.222 3.803 -0.928 1.00 0.00 C ATOM 44 O TYR A 3 6.760 4.747 -0.286 1.00 0.00 O ATOM 45 CB TYR A 3 8.522 2.146 0.396 1.00 0.00 C ATOM 46 CG TYR A 3 9.815 1.391 0.598 1.00 0.00 C ATOM 47 CD1 TYR A 3 10.951 2.030 1.079 1.00 0.00 C ATOM 48 CD2 TYR A 3 9.898 0.036 0.311 1.00 0.00 C ATOM 49 CE1 TYR A 3 12.133 1.339 1.265 1.00 0.00 C ATOM 50 CE2 TYR A 3 11.076 -0.662 0.495 1.00 0.00 C ATOM 51 CZ TYR A 3 12.189 -0.006 0.971 1.00 0.00 C ATOM 52 OH TYR A 3 13.365 -0.699 1.156 1.00 0.00 O ATOM 0 HA TYR A 3 9.050 2.879 -1.551 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.205 2.565 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.749 1.444 0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.910 3.084 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.027 -0.482 -0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.008 1.850 1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.124 -1.717 0.267 1.00 0.00 H new ATOM 0 HH TYR A 3 13.235 -1.637 0.903 1.00 0.00 H new ATOM 62 N LEU A 4 6.550 3.188 -1.890 1.00 0.00 N ATOM 63 CA LEU A 4 5.201 3.607 -2.244 1.00 0.00 C ATOM 64 C LEU A 4 4.328 2.397 -2.508 1.00 0.00 C ATOM 65 O LEU A 4 4.829 1.323 -2.839 1.00 0.00 O ATOM 66 CB LEU A 4 5.203 4.544 -3.454 1.00 0.00 C ATOM 67 CG LEU A 4 6.269 4.260 -4.514 1.00 0.00 C ATOM 68 CD1 LEU A 4 5.606 3.872 -5.825 1.00 0.00 C ATOM 69 CD2 LEU A 4 7.168 5.473 -4.707 1.00 0.00 C ATOM 0 H LEU A 4 6.911 2.405 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 4 4.790 4.161 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.223 4.495 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.334 5.566 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 4 6.888 3.430 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.372 3.671 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.001 2.978 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.969 4.688 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.920 5.252 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.567 6.323 -5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.662 5.714 -3.765 1.00 0.00 H new ATOM 81 N VAL A 5 3.021 2.562 -2.354 1.00 0.00 N ATOM 82 CA VAL A 5 2.112 1.451 -2.577 1.00 0.00 C ATOM 83 C VAL A 5 1.014 1.814 -3.565 1.00 0.00 C ATOM 84 O VAL A 5 0.614 2.968 -3.658 1.00 0.00 O ATOM 85 CB VAL A 5 1.462 0.955 -1.262 1.00 0.00 C ATOM 86 CG1 VAL A 5 0.331 1.848 -0.807 1.00 0.00 C ATOM 87 CG2 VAL A 5 0.948 -0.449 -1.443 1.00 0.00 C ATOM 0 H VAL A 5 2.575 3.438 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 5 2.719 0.647 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 5 2.233 0.979 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.091 1.457 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.709 2.856 -0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.442 1.876 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.492 -0.792 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.204 -0.464 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.775 -1.108 -1.706 1.00 0.00 H new ATOM 97 N VAL A 6 0.527 0.810 -4.286 1.00 0.00 N ATOM 98 CA VAL A 6 -0.538 0.992 -5.253 1.00 0.00 C ATOM 99 C VAL A 6 -1.559 -0.135 -5.132 1.00 0.00 C ATOM 100 O VAL A 6 -1.261 -1.299 -5.391 1.00 0.00 O ATOM 101 CB VAL A 6 0.024 1.046 -6.685 1.00 0.00 C ATOM 102 CG1 VAL A 6 1.127 2.087 -6.779 1.00 0.00 C ATOM 103 CG2 VAL A 6 0.551 -0.317 -7.100 1.00 0.00 C ATOM 0 H VAL A 6 0.862 -0.151 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.031 1.941 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.782 1.328 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.515 2.115 -7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.726 3.066 -6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.931 1.828 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.945 -0.261 -8.115 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.345 -0.623 -6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.258 -1.046 -7.064 1.00 0.00 H new ATOM 113 N ASN A 7 -2.761 0.225 -4.725 1.00 0.00 N ATOM 114 CA ASN A 7 -3.837 -0.744 -4.543 1.00 0.00 C ATOM 115 C ASN A 7 -4.580 -1.001 -5.850 1.00 0.00 C ATOM 116 O ASN A 7 -5.007 -0.067 -6.527 1.00 0.00 O ATOM 117 CB ASN A 7 -4.808 -0.245 -3.457 1.00 0.00 C ATOM 118 CG ASN A 7 -6.165 -0.940 -3.468 1.00 0.00 C ATOM 119 OD1 ASN A 7 -6.426 -1.827 -4.282 1.00 0.00 O ATOM 120 ND2 ASN A 7 -7.040 -0.531 -2.558 1.00 0.00 N ATOM 0 H ASN A 7 -3.023 1.187 -4.511 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.398 -1.689 -4.224 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.347 -0.387 -2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.960 0.827 -3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.967 -0.954 -2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.786 0.207 -1.901 1.00 0.00 H new ATOM 127 N LYS A 8 -4.744 -2.280 -6.189 1.00 0.00 N ATOM 128 CA LYS A 8 -5.455 -2.650 -7.408 1.00 0.00 C ATOM 129 C LYS A 8 -6.430 -3.797 -7.150 1.00 0.00 C ATOM 130 O LYS A 8 -6.025 -4.915 -6.842 1.00 0.00 O ATOM 131 CB LYS A 8 -4.462 -3.048 -8.501 1.00 0.00 C ATOM 132 CG LYS A 8 -3.386 -2.006 -8.753 1.00 0.00 C ATOM 133 CD LYS A 8 -3.848 -0.954 -9.744 1.00 0.00 C ATOM 134 CE LYS A 8 -2.918 0.249 -9.764 1.00 0.00 C ATOM 135 NZ LYS A 8 -3.668 1.535 -9.769 1.00 0.00 N ATOM 0 H LYS A 8 -4.398 -3.068 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.026 -1.783 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.987 -3.989 -8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.007 -3.227 -9.428 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.116 -1.527 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.488 -2.494 -9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.899 -1.391 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.856 -0.630 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.263 0.215 -8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.279 0.199 -10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.996 2.329 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.274 1.580 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.258 1.596 -8.915 1.00 0.00 H new ATOM 149 N GLY A 9 -7.715 -3.514 -7.291 1.00 0.00 N ATOM 150 CA GLY A 9 -8.728 -4.532 -7.081 1.00 0.00 C ATOM 151 C GLY A 9 -9.638 -4.682 -8.282 1.00 0.00 C ATOM 152 O GLY A 9 -9.182 -4.964 -9.391 1.00 0.00 O ATOM 0 H GLY A 9 -8.078 -2.596 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.245 -5.486 -6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.323 -4.276 -6.205 1.00 0.00 H new ATOM 156 N GLN A 10 -10.941 -4.484 -8.073 1.00 0.00 N ATOM 157 CA GLN A 10 -11.913 -4.596 -9.149 1.00 0.00 C ATOM 158 C GLN A 10 -12.573 -3.249 -9.427 1.00 0.00 C ATOM 159 O GLN A 10 -12.970 -2.962 -10.557 1.00 0.00 O ATOM 160 CB GLN A 10 -12.974 -5.638 -8.796 1.00 0.00 C ATOM 161 CG GLN A 10 -13.664 -6.237 -10.012 1.00 0.00 C ATOM 162 CD GLN A 10 -13.061 -7.567 -10.425 1.00 0.00 C ATOM 163 OE1 GLN A 10 -12.701 -8.383 -9.586 1.00 0.00 O ATOM 164 NE2 GLN A 10 -12.959 -7.785 -11.735 1.00 0.00 N ATOM 0 H GLN A 10 -11.342 -4.245 -7.166 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.389 -4.914 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.509 -6.439 -8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.724 -5.178 -8.152 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.723 -6.374 -9.794 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.598 -5.537 -10.845 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.273 -7.075 -12.396 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.567 -8.662 -12.077 1.00 0.00 H new ATOM 173 N ASN A 11 -12.694 -2.425 -8.390 1.00 0.00 N ATOM 174 CA ASN A 11 -13.306 -1.116 -8.517 1.00 0.00 C ATOM 175 C ASN A 11 -12.765 -0.148 -7.474 1.00 0.00 C ATOM 176 O ASN A 11 -13.503 0.664 -6.919 1.00 0.00 O ATOM 177 CB ASN A 11 -14.820 -1.242 -8.369 1.00 0.00 C ATOM 178 CG ASN A 11 -15.570 -0.119 -9.062 1.00 0.00 C ATOM 179 OD1 ASN A 11 -16.091 0.784 -8.410 1.00 0.00 O ATOM 180 ND2 ASN A 11 -15.621 -0.173 -10.385 1.00 0.00 N ATOM 0 H ASN A 11 -12.372 -2.648 -7.448 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.063 -0.720 -9.503 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.143 -2.198 -8.781 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -15.079 -1.247 -7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -16.108 0.555 -10.907 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -15.173 -0.943 -10.882 1.00 0.00 H new ATOM 187 N ALA A 12 -11.468 -0.241 -7.200 1.00 0.00 N ATOM 188 CA ALA A 12 -10.830 0.626 -6.207 1.00 0.00 C ATOM 189 C ALA A 12 -9.324 0.707 -6.420 1.00 0.00 C ATOM 190 O ALA A 12 -8.623 -0.304 -6.361 1.00 0.00 O ATOM 191 CB ALA A 12 -11.147 0.140 -4.805 1.00 0.00 C ATOM 0 H ALA A 12 -10.837 -0.905 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.233 1.631 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.667 0.793 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.226 0.155 -4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.776 -0.877 -4.680 1.00 0.00 H new ATOM 197 N PHE A 13 -8.835 1.919 -6.660 1.00 0.00 N ATOM 198 CA PHE A 13 -7.406 2.141 -6.869 1.00 0.00 C ATOM 199 C PHE A 13 -6.874 3.185 -5.892 1.00 0.00 C ATOM 200 O PHE A 13 -7.273 4.346 -5.922 1.00 0.00 O ATOM 201 CB PHE A 13 -7.145 2.592 -8.307 1.00 0.00 C ATOM 202 CG PHE A 13 -7.639 1.618 -9.342 1.00 0.00 C ATOM 203 CD1 PHE A 13 -7.234 0.292 -9.306 1.00 0.00 C ATOM 204 CD2 PHE A 13 -8.497 2.023 -10.340 1.00 0.00 C ATOM 205 CE1 PHE A 13 -7.679 -0.611 -10.249 1.00 0.00 C ATOM 206 CE2 PHE A 13 -8.956 1.129 -11.294 1.00 0.00 C ATOM 207 CZ PHE A 13 -8.544 -0.190 -11.246 1.00 0.00 C ATOM 0 H PHE A 13 -9.405 2.763 -6.715 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.885 1.201 -6.691 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.625 3.557 -8.469 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.074 2.742 -8.443 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.561 -0.038 -8.529 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -8.817 3.054 -10.380 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.355 -1.641 -10.210 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -9.631 1.460 -12.070 1.00 0.00 H new ATOM 0 HZ PHE A 13 -8.897 -0.893 -11.986 1.00 0.00 H new ATOM 217 N TYR A 14 -5.966 2.757 -5.016 1.00 0.00 N ATOM 218 CA TYR A 14 -5.382 3.649 -4.022 1.00 0.00 C ATOM 219 C TYR A 14 -3.878 3.406 -3.895 1.00 0.00 C ATOM 220 O TYR A 14 -3.446 2.282 -3.673 1.00 0.00 O ATOM 221 CB TYR A 14 -6.064 3.439 -2.665 1.00 0.00 C ATOM 222 CG TYR A 14 -5.194 3.810 -1.484 1.00 0.00 C ATOM 223 CD1 TYR A 14 -4.950 5.142 -1.174 1.00 0.00 C ATOM 224 CD2 TYR A 14 -4.607 2.832 -0.689 1.00 0.00 C ATOM 225 CE1 TYR A 14 -4.150 5.489 -0.104 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.807 3.174 0.379 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.581 4.503 0.670 1.00 0.00 C ATOM 228 OH TYR A 14 -2.790 4.842 1.743 1.00 0.00 O ATOM 0 H TYR A 14 -5.621 1.798 -4.976 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.539 4.678 -4.346 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.978 4.032 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.358 2.393 -2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.393 5.918 -1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.781 1.790 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.971 6.529 0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.358 2.403 0.987 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.846 4.764 1.491 1.00 0.00 H new ATOM 238 N GLU A 15 -3.084 4.464 -4.011 1.00 0.00 N ATOM 239 CA GLU A 15 -1.642 4.337 -3.890 1.00 0.00 C ATOM 240 C GLU A 15 -1.078 5.454 -3.015 1.00 0.00 C ATOM 241 O GLU A 15 -1.465 6.616 -3.139 1.00 0.00 O ATOM 242 CB GLU A 15 -0.986 4.332 -5.279 1.00 0.00 C ATOM 243 CG GLU A 15 0.128 5.346 -5.451 1.00 0.00 C ATOM 244 CD GLU A 15 0.537 5.532 -6.900 1.00 0.00 C ATOM 245 OE1 GLU A 15 -0.361 5.713 -7.750 1.00 0.00 O ATOM 246 OE2 GLU A 15 1.752 5.499 -7.184 1.00 0.00 O ATOM 0 H GLU A 15 -3.414 5.413 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.413 3.387 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.588 3.337 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.753 4.522 -6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.194 6.304 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.995 5.028 -4.872 1.00 0.00 H new ATOM 253 N THR A 16 -0.165 5.084 -2.128 1.00 0.00 N ATOM 254 CA THR A 16 0.456 6.036 -1.224 1.00 0.00 C ATOM 255 C THR A 16 1.954 5.784 -1.064 1.00 0.00 C ATOM 256 O THR A 16 2.409 4.646 -0.968 1.00 0.00 O ATOM 257 CB THR A 16 -0.220 5.984 0.145 1.00 0.00 C ATOM 258 OG1 THR A 16 -0.882 4.746 0.327 1.00 0.00 O ATOM 259 CG2 THR A 16 -1.235 7.090 0.348 1.00 0.00 C ATOM 0 H THR A 16 0.162 4.124 -2.017 1.00 0.00 H new ATOM 0 HA THR A 16 0.328 7.026 -1.662 1.00 0.00 H new ATOM 0 HB THR A 16 0.580 6.111 0.874 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.767 4.784 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.680 6.998 1.339 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.741 8.058 0.260 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.015 7.011 -0.409 1.00 0.00 H new ATOM 267 N LEU A 17 2.693 6.878 -1.012 1.00 0.00 N ATOM 268 CA LEU A 17 4.145 6.861 -0.835 1.00 0.00 C ATOM 269 C LEU A 17 4.504 7.421 0.544 1.00 0.00 C ATOM 270 O LEU A 17 4.201 8.576 0.844 1.00 0.00 O ATOM 271 CB LEU A 17 4.853 7.692 -1.921 1.00 0.00 C ATOM 272 CG LEU A 17 4.012 8.077 -3.149 1.00 0.00 C ATOM 273 CD1 LEU A 17 3.268 6.874 -3.712 1.00 0.00 C ATOM 274 CD2 LEU A 17 3.042 9.201 -2.801 1.00 0.00 C ATOM 0 H LEU A 17 2.303 7.817 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 17 4.481 5.828 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.224 8.608 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.723 7.133 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 17 4.692 8.434 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.683 7.181 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.985 6.109 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.602 6.469 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.455 9.461 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.375 8.872 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.602 10.075 -2.468 1.00 0.00 H new ATOM 286 N THR A 18 5.130 6.601 1.388 1.00 0.00 N ATOM 287 CA THR A 18 5.495 7.041 2.735 1.00 0.00 C ATOM 288 C THR A 18 6.893 6.567 3.145 1.00 0.00 C ATOM 289 O THR A 18 7.378 5.535 2.677 1.00 0.00 O ATOM 290 CB THR A 18 4.445 6.560 3.749 1.00 0.00 C ATOM 291 OG1 THR A 18 4.123 7.594 4.661 1.00 0.00 O ATOM 292 CG2 THR A 18 4.872 5.353 4.563 1.00 0.00 C ATOM 0 H THR A 18 5.392 5.640 1.167 1.00 0.00 H new ATOM 0 HA THR A 18 5.519 8.131 2.727 1.00 0.00 H new ATOM 0 HB THR A 18 3.587 6.272 3.142 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.452 7.271 5.298 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.074 5.079 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.076 4.517 3.894 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.773 5.595 5.127 1.00 0.00 H new ATOM 300 N LYS A 19 7.520 7.330 4.043 1.00 0.00 N ATOM 301 CA LYS A 19 8.846 6.993 4.553 1.00 0.00 C ATOM 302 C LYS A 19 8.738 5.836 5.543 1.00 0.00 C ATOM 303 O LYS A 19 8.366 6.031 6.700 1.00 0.00 O ATOM 304 CB LYS A 19 9.481 8.209 5.235 1.00 0.00 C ATOM 305 CG LYS A 19 10.191 9.137 4.274 1.00 0.00 C ATOM 306 CD LYS A 19 11.559 8.600 3.880 1.00 0.00 C ATOM 307 CE LYS A 19 12.383 9.641 3.148 1.00 0.00 C ATOM 308 NZ LYS A 19 12.833 10.729 4.058 1.00 0.00 N ATOM 0 H LYS A 19 7.127 8.187 4.431 1.00 0.00 H new ATOM 0 HA LYS A 19 9.479 6.694 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.706 8.767 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.191 7.864 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.582 9.271 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.304 10.119 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.093 8.276 4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.436 7.722 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.252 9.164 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.793 10.067 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.577 11.286 3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.028 11.347 4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.209 10.315 4.935 1.00 0.00 H new ATOM 322 N ALA A 20 9.025 4.630 5.069 1.00 0.00 N ATOM 323 CA ALA A 20 8.921 3.434 5.899 1.00 0.00 C ATOM 324 C ALA A 20 10.214 3.072 6.620 1.00 0.00 C ATOM 325 O ALA A 20 10.335 1.977 7.160 1.00 0.00 O ATOM 326 CB ALA A 20 8.478 2.268 5.051 1.00 0.00 C ATOM 0 H ALA A 20 9.332 4.453 4.113 1.00 0.00 H new ATOM 0 HA ALA A 20 8.186 3.659 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.401 1.375 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.506 2.488 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.207 2.097 4.259 1.00 0.00 H new ATOM 332 N VAL A 21 11.166 3.981 6.639 1.00 0.00 N ATOM 333 CA VAL A 21 12.440 3.739 7.318 1.00 0.00 C ATOM 334 C VAL A 21 13.201 2.540 6.736 1.00 0.00 C ATOM 335 O VAL A 21 14.221 2.715 6.070 1.00 0.00 O ATOM 336 CB VAL A 21 12.228 3.508 8.827 1.00 0.00 C ATOM 337 CG1 VAL A 21 13.563 3.453 9.553 1.00 0.00 C ATOM 338 CG2 VAL A 21 11.340 4.594 9.415 1.00 0.00 C ATOM 0 H VAL A 21 11.091 4.896 6.195 1.00 0.00 H new ATOM 0 HA VAL A 21 13.039 4.635 7.159 1.00 0.00 H new ATOM 0 HB VAL A 21 11.728 2.549 8.960 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.392 3.289 10.617 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.162 2.636 9.152 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.093 4.395 9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.202 4.414 10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.810 5.567 9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.371 4.581 8.916 1.00 0.00 H new ATOM 348 N ASP A 22 12.714 1.324 7.002 1.00 0.00 N ATOM 349 CA ASP A 22 13.368 0.116 6.515 1.00 0.00 C ATOM 350 C ASP A 22 12.489 -0.642 5.521 1.00 0.00 C ATOM 351 O ASP A 22 11.556 -0.082 4.942 1.00 0.00 O ATOM 352 CB ASP A 22 13.729 -0.788 7.698 1.00 0.00 C ATOM 353 CG ASP A 22 15.130 -1.356 7.585 1.00 0.00 C ATOM 354 OD1 ASP A 22 16.012 -0.658 7.044 1.00 0.00 O ATOM 355 OD2 ASP A 22 15.344 -2.501 8.037 1.00 0.00 O ATOM 0 H ASP A 22 11.871 1.155 7.551 1.00 0.00 H new ATOM 0 HA ASP A 22 14.276 0.412 5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.644 -0.220 8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.012 -1.607 7.758 1.00 0.00 H new ATOM 360 N ALA A 23 12.806 -1.918 5.326 1.00 0.00 N ATOM 361 CA ALA A 23 12.069 -2.772 4.397 1.00 0.00 C ATOM 362 C ALA A 23 10.869 -3.432 5.069 1.00 0.00 C ATOM 363 O ALA A 23 9.726 -3.048 4.823 1.00 0.00 O ATOM 364 CB ALA A 23 12.993 -3.830 3.812 1.00 0.00 C ATOM 0 H ALA A 23 13.575 -2.388 5.803 1.00 0.00 H new ATOM 0 HA ALA A 23 11.691 -2.140 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.433 -4.460 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.810 -3.345 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.398 -4.444 4.616 1.00 0.00 H new ATOM 370 N GLU A 24 11.129 -4.423 5.919 1.00 0.00 N ATOM 371 CA GLU A 24 10.053 -5.120 6.624 1.00 0.00 C ATOM 372 C GLU A 24 9.231 -4.130 7.437 1.00 0.00 C ATOM 373 O GLU A 24 8.067 -4.373 7.748 1.00 0.00 O ATOM 374 CB GLU A 24 10.603 -6.209 7.534 1.00 0.00 C ATOM 375 CG GLU A 24 11.676 -7.069 6.882 1.00 0.00 C ATOM 376 CD GLU A 24 12.949 -7.136 7.703 1.00 0.00 C ATOM 377 OE1 GLU A 24 13.416 -6.073 8.165 1.00 0.00 O ATOM 378 OE2 GLU A 24 13.478 -8.253 7.886 1.00 0.00 O ATOM 0 H GLU A 24 12.067 -4.760 6.136 1.00 0.00 H new ATOM 0 HA GLU A 24 9.414 -5.592 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.016 -5.746 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.782 -6.850 7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.289 -8.077 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.906 -6.670 5.894 1.00 0.00 H new ATOM 385 N THR A 25 9.843 -2.992 7.729 1.00 0.00 N ATOM 386 CA THR A 25 9.179 -1.924 8.447 1.00 0.00 C ATOM 387 C THR A 25 8.180 -1.311 7.495 1.00 0.00 C ATOM 388 O THR A 25 7.057 -0.991 7.861 1.00 0.00 O ATOM 389 CB THR A 25 10.185 -0.875 8.924 1.00 0.00 C ATOM 390 OG1 THR A 25 11.408 -1.487 9.297 1.00 0.00 O ATOM 391 CG2 THR A 25 9.694 -0.071 10.108 1.00 0.00 C ATOM 0 H THR A 25 10.809 -2.787 7.475 1.00 0.00 H new ATOM 0 HA THR A 25 8.682 -2.311 9.337 1.00 0.00 H new ATOM 0 HB THR A 25 10.322 -0.200 8.079 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.912 -0.882 9.880 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.455 0.655 10.396 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.777 0.453 9.837 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.496 -0.740 10.945 1.00 0.00 H new ATOM 399 N ALA A 26 8.590 -1.222 6.235 1.00 0.00 N ATOM 400 CA ALA A 26 7.716 -0.731 5.197 1.00 0.00 C ATOM 401 C ALA A 26 6.670 -1.797 4.929 1.00 0.00 C ATOM 402 O ALA A 26 5.585 -1.524 4.430 1.00 0.00 O ATOM 403 CB ALA A 26 8.509 -0.416 3.935 1.00 0.00 C ATOM 0 H ALA A 26 9.522 -1.485 5.916 1.00 0.00 H new ATOM 0 HA ALA A 26 7.233 0.194 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.833 -0.047 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.257 0.345 4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.004 -1.320 3.581 1.00 0.00 H new ATOM 409 N ARG A 27 7.015 -3.029 5.296 1.00 0.00 N ATOM 410 CA ARG A 27 6.119 -4.158 5.134 1.00 0.00 C ATOM 411 C ARG A 27 5.102 -4.184 6.259 1.00 0.00 C ATOM 412 O ARG A 27 3.923 -4.405 6.019 1.00 0.00 O ATOM 413 CB ARG A 27 6.919 -5.467 5.098 1.00 0.00 C ATOM 414 CG ARG A 27 6.249 -6.574 4.298 1.00 0.00 C ATOM 415 CD ARG A 27 4.884 -6.931 4.865 1.00 0.00 C ATOM 416 NE ARG A 27 4.686 -8.377 4.945 1.00 0.00 N ATOM 417 CZ ARG A 27 4.401 -9.143 3.895 1.00 0.00 C ATOM 418 NH1 ARG A 27 4.282 -8.610 2.686 1.00 0.00 N ATOM 419 NH2 ARG A 27 4.236 -10.451 4.056 1.00 0.00 N ATOM 0 H ARG A 27 7.917 -3.266 5.710 1.00 0.00 H new ATOM 0 HA ARG A 27 5.586 -4.054 4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.903 -5.269 4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.077 -5.814 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.141 -6.259 3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.886 -7.459 4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.779 -6.495 5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.106 -6.492 4.240 1.00 0.00 H new ATOM 0 HE ARG A 27 4.771 -8.824 5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.409 -7.606 2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.063 -9.204 1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.328 -10.866 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.017 -11.040 3.253 1.00 0.00 H new ATOM 433 N ASN A 28 5.567 -3.954 7.482 1.00 0.00 N ATOM 434 CA ASN A 28 4.687 -3.960 8.648 1.00 0.00 C ATOM 435 C ASN A 28 4.131 -2.569 8.956 1.00 0.00 C ATOM 436 O ASN A 28 2.936 -2.411 9.182 1.00 0.00 O ATOM 437 CB ASN A 28 5.436 -4.504 9.868 1.00 0.00 C ATOM 438 CG ASN A 28 4.960 -5.886 10.271 1.00 0.00 C ATOM 439 OD1 ASN A 28 4.634 -6.715 9.422 1.00 0.00 O ATOM 440 ND2 ASN A 28 4.918 -6.141 11.574 1.00 0.00 N ATOM 0 H ASN A 28 6.546 -3.761 7.693 1.00 0.00 H new ATOM 0 HA ASN A 28 3.842 -4.608 8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.503 -4.540 9.649 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.305 -3.819 10.706 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.606 -7.054 11.905 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.198 -5.424 12.243 1.00 0.00 H new ATOM 447 N ALA A 29 5.007 -1.573 8.984 1.00 0.00 N ATOM 448 CA ALA A 29 4.603 -0.200 9.288 1.00 0.00 C ATOM 449 C ALA A 29 3.729 0.402 8.192 1.00 0.00 C ATOM 450 O ALA A 29 2.674 0.973 8.473 1.00 0.00 O ATOM 451 CB ALA A 29 5.832 0.671 9.502 1.00 0.00 C ATOM 0 H ALA A 29 6.004 -1.687 8.800 1.00 0.00 H new ATOM 0 HA ALA A 29 4.009 -0.233 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.520 1.691 9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.416 0.278 10.334 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.441 0.669 8.598 1.00 0.00 H new ATOM 457 N PHE A 30 4.180 0.296 6.947 1.00 0.00 N ATOM 458 CA PHE A 30 3.446 0.857 5.817 1.00 0.00 C ATOM 459 C PHE A 30 2.115 0.144 5.599 1.00 0.00 C ATOM 460 O PHE A 30 1.079 0.789 5.462 1.00 0.00 O ATOM 461 CB PHE A 30 4.300 0.771 4.550 1.00 0.00 C ATOM 462 CG PHE A 30 4.076 1.863 3.537 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.181 2.901 3.755 1.00 0.00 C ATOM 464 CD2 PHE A 30 4.774 1.831 2.344 1.00 0.00 C ATOM 465 CE1 PHE A 30 2.997 3.884 2.799 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.596 2.805 1.387 1.00 0.00 C ATOM 467 CZ PHE A 30 3.709 3.837 1.614 1.00 0.00 C ATOM 0 H PHE A 30 5.050 -0.173 6.694 1.00 0.00 H new ATOM 0 HA PHE A 30 3.229 1.901 6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.351 0.780 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.110 -0.189 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.623 2.942 4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.472 1.027 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.298 4.688 2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.150 2.761 0.461 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.571 4.606 0.868 1.00 0.00 H new ATOM 477 N ILE A 31 2.144 -1.186 5.547 1.00 0.00 N ATOM 478 CA ILE A 31 0.945 -1.959 5.323 1.00 0.00 C ATOM 479 C ILE A 31 -0.206 -1.547 6.237 1.00 0.00 C ATOM 480 O ILE A 31 -1.363 -1.581 5.831 1.00 0.00 O ATOM 481 CB ILE A 31 1.241 -3.447 5.496 1.00 0.00 C ATOM 482 CG1 ILE A 31 0.112 -4.283 4.939 1.00 0.00 C ATOM 483 CG2 ILE A 31 1.515 -3.800 6.938 1.00 0.00 C ATOM 484 CD1 ILE A 31 0.619 -5.424 4.105 1.00 0.00 C ATOM 0 H ILE A 31 2.991 -1.743 5.658 1.00 0.00 H new ATOM 0 HA ILE A 31 0.626 -1.759 4.300 1.00 0.00 H new ATOM 0 HB ILE A 31 2.146 -3.670 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.490 -4.673 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.542 -3.654 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.721 -4.867 7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.378 -3.236 7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.644 -3.552 7.545 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.225 -5.999 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.199 -5.034 3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.251 -6.068 4.716 1.00 0.00 H new ATOM 496 N GLN A 32 0.109 -1.155 7.463 1.00 0.00 N ATOM 497 CA GLN A 32 -0.924 -0.740 8.409 1.00 0.00 C ATOM 498 C GLN A 32 -1.606 0.532 7.935 1.00 0.00 C ATOM 499 O GLN A 32 -2.832 0.611 7.882 1.00 0.00 O ATOM 500 CB GLN A 32 -0.331 -0.517 9.801 1.00 0.00 C ATOM 501 CG GLN A 32 0.629 -1.607 10.235 1.00 0.00 C ATOM 502 CD GLN A 32 0.165 -2.335 11.481 1.00 0.00 C ATOM 503 OE1 GLN A 32 0.491 -1.943 12.601 1.00 0.00 O ATOM 504 NE2 GLN A 32 -0.601 -3.405 11.291 1.00 0.00 N ATOM 0 H GLN A 32 1.061 -1.115 7.826 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.663 -1.540 8.465 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.190 0.441 9.816 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.142 -0.450 10.526 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.748 -2.325 9.423 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.610 -1.169 10.419 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.847 -3.695 10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.943 -3.936 12.092 1.00 0.00 H new ATOM 513 N SER A 33 -0.798 1.522 7.586 1.00 0.00 N ATOM 514 CA SER A 33 -1.313 2.794 7.110 1.00 0.00 C ATOM 515 C SER A 33 -1.880 2.642 5.710 1.00 0.00 C ATOM 516 O SER A 33 -2.953 3.163 5.404 1.00 0.00 O ATOM 517 CB SER A 33 -0.213 3.859 7.123 1.00 0.00 C ATOM 518 OG SER A 33 -0.110 4.470 8.396 1.00 0.00 O ATOM 0 H SER A 33 0.220 1.467 7.624 1.00 0.00 H new ATOM 0 HA SER A 33 -2.112 3.114 7.779 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.741 3.404 6.856 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.427 4.616 6.369 1.00 0.00 H new ATOM 0 HG SER A 33 0.600 5.145 8.378 1.00 0.00 H new ATOM 524 N LEU A 34 -1.167 1.909 4.866 1.00 0.00 N ATOM 525 CA LEU A 34 -1.623 1.677 3.508 1.00 0.00 C ATOM 526 C LEU A 34 -2.952 0.947 3.555 1.00 0.00 C ATOM 527 O LEU A 34 -3.869 1.241 2.790 1.00 0.00 O ATOM 528 CB LEU A 34 -0.559 0.899 2.714 1.00 0.00 C ATOM 529 CG LEU A 34 -1.043 -0.171 1.721 1.00 0.00 C ATOM 530 CD1 LEU A 34 -1.502 -1.426 2.443 1.00 0.00 C ATOM 531 CD2 LEU A 34 -2.149 0.358 0.850 1.00 0.00 C ATOM 0 H LEU A 34 -0.277 1.469 5.098 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.772 2.625 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.041 1.622 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.105 0.415 3.430 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.196 -0.430 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.838 -2.163 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.674 -1.838 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.324 -1.179 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.471 -0.420 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.990 0.660 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.788 1.218 0.286 1.00 0.00 H new ATOM 543 N LYS A 35 -3.065 0.026 4.499 1.00 0.00 N ATOM 544 CA LYS A 35 -4.299 -0.710 4.681 1.00 0.00 C ATOM 545 C LYS A 35 -5.300 0.180 5.386 1.00 0.00 C ATOM 546 O LYS A 35 -6.506 0.079 5.172 1.00 0.00 O ATOM 547 CB LYS A 35 -4.058 -1.978 5.484 1.00 0.00 C ATOM 548 CG LYS A 35 -3.474 -3.106 4.652 1.00 0.00 C ATOM 549 CD LYS A 35 -3.870 -4.467 5.203 1.00 0.00 C ATOM 550 CE LYS A 35 -4.158 -5.458 4.089 1.00 0.00 C ATOM 551 NZ LYS A 35 -2.908 -6.032 3.519 1.00 0.00 N ATOM 0 H LYS A 35 -2.319 -0.227 5.147 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.691 -1.004 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.382 -1.755 6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.000 -2.308 5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.818 -3.015 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.387 -3.022 4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.069 -4.851 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.752 -4.362 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.785 -6.263 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.723 -4.962 3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.122 -6.937 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.508 -5.371 2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.219 -6.190 4.282 1.00 0.00 H new ATOM 565 N ASP A 36 -4.783 1.084 6.210 1.00 0.00 N ATOM 566 CA ASP A 36 -5.635 2.024 6.918 1.00 0.00 C ATOM 567 C ASP A 36 -6.489 2.789 5.911 1.00 0.00 C ATOM 568 O ASP A 36 -7.597 3.227 6.222 1.00 0.00 O ATOM 569 CB ASP A 36 -4.795 2.998 7.744 1.00 0.00 C ATOM 570 CG ASP A 36 -5.620 3.742 8.775 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.761 4.136 8.451 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.127 3.933 9.907 1.00 0.00 O ATOM 0 H ASP A 36 -3.786 1.184 6.402 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.282 1.472 7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.998 2.450 8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.317 3.716 7.078 1.00 0.00 H new ATOM 577 N ASP A 37 -5.959 2.937 4.694 1.00 0.00 N ATOM 578 CA ASP A 37 -6.668 3.637 3.629 1.00 0.00 C ATOM 579 C ASP A 37 -7.463 2.660 2.763 1.00 0.00 C ATOM 580 O ASP A 37 -8.646 2.873 2.497 1.00 0.00 O ATOM 581 CB ASP A 37 -5.681 4.418 2.763 1.00 0.00 C ATOM 582 CG ASP A 37 -5.542 5.862 3.204 1.00 0.00 C ATOM 583 OD1 ASP A 37 -5.342 6.095 4.415 1.00 0.00 O ATOM 584 OD2 ASP A 37 -5.632 6.760 2.339 1.00 0.00 O ATOM 0 H ASP A 37 -5.042 2.580 4.426 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.369 4.333 4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.705 3.934 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.010 4.388 1.724 1.00 0.00 H new ATOM 589 N GLY A 38 -6.802 1.591 2.320 1.00 0.00 N ATOM 590 CA GLY A 38 -7.461 0.602 1.483 1.00 0.00 C ATOM 591 C GLY A 38 -7.150 -0.823 1.905 1.00 0.00 C ATOM 592 O GLY A 38 -6.711 -1.638 1.094 1.00 0.00 O ATOM 0 H GLY A 38 -5.823 1.393 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.539 0.761 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.153 0.745 0.447 1.00 0.00 H new ATOM 596 N VAL A 39 -7.377 -1.117 3.180 1.00 0.00 N ATOM 597 CA VAL A 39 -7.122 -2.448 3.731 1.00 0.00 C ATOM 598 C VAL A 39 -7.762 -3.548 2.884 1.00 0.00 C ATOM 599 O VAL A 39 -7.162 -4.602 2.669 1.00 0.00 O ATOM 600 CB VAL A 39 -7.645 -2.569 5.184 1.00 0.00 C ATOM 601 CG1 VAL A 39 -8.940 -1.789 5.371 1.00 0.00 C ATOM 602 CG2 VAL A 39 -7.848 -4.031 5.559 1.00 0.00 C ATOM 0 H VAL A 39 -7.740 -0.447 3.858 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.040 -2.578 3.722 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.894 -2.139 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.282 -1.893 6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.765 -0.736 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.701 -2.179 4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.216 -4.096 6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.574 -4.482 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.899 -4.562 5.479 1.00 0.00 H new ATOM 612 N GLN A 40 -8.992 -3.299 2.445 1.00 0.00 N ATOM 613 CA GLN A 40 -9.771 -4.257 1.642 1.00 0.00 C ATOM 614 C GLN A 40 -8.896 -5.128 0.743 1.00 0.00 C ATOM 615 O GLN A 40 -9.242 -6.271 0.445 1.00 0.00 O ATOM 616 CB GLN A 40 -10.789 -3.517 0.769 1.00 0.00 C ATOM 617 CG GLN A 40 -11.355 -2.260 1.407 1.00 0.00 C ATOM 618 CD GLN A 40 -12.566 -1.724 0.668 1.00 0.00 C ATOM 619 OE1 GLN A 40 -13.666 -1.669 1.215 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.364 -1.328 -0.581 1.00 0.00 N ATOM 0 H GLN A 40 -9.485 -2.426 2.633 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.278 -4.910 2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.316 -3.250 -0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.610 -4.194 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.630 -2.474 2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.582 -1.492 1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.433 -1.393 -0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.140 -0.958 -1.131 1.00 0.00 H new ATOM 629 N GLY A 41 -7.772 -4.580 0.310 1.00 0.00 N ATOM 630 CA GLY A 41 -6.875 -5.321 -0.557 1.00 0.00 C ATOM 631 C GLY A 41 -5.596 -5.748 0.133 1.00 0.00 C ATOM 632 O GLY A 41 -5.223 -5.197 1.168 1.00 0.00 O ATOM 0 H GLY A 41 -7.463 -3.636 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.391 -6.205 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.626 -4.706 -1.422 1.00 0.00 H new ATOM 636 N VAL A 42 -4.913 -6.719 -0.463 1.00 0.00 N ATOM 637 CA VAL A 42 -3.649 -7.217 0.072 1.00 0.00 C ATOM 638 C VAL A 42 -2.539 -6.922 -0.924 1.00 0.00 C ATOM 639 O VAL A 42 -2.735 -7.088 -2.128 1.00 0.00 O ATOM 640 CB VAL A 42 -3.702 -8.732 0.354 1.00 0.00 C ATOM 641 CG1 VAL A 42 -3.889 -9.512 -0.937 1.00 0.00 C ATOM 642 CG2 VAL A 42 -2.444 -9.183 1.080 1.00 0.00 C ATOM 0 H VAL A 42 -5.215 -7.180 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.457 -6.712 1.019 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.559 -8.932 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.924 -10.579 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.822 -9.210 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.056 -9.308 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.499 -10.255 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.571 -8.968 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.359 -8.650 2.027 1.00 0.00 H new ATOM 652 N TRP A 43 -1.396 -6.437 -0.451 1.00 0.00 N ATOM 653 CA TRP A 43 -0.329 -6.087 -1.378 1.00 0.00 C ATOM 654 C TRP A 43 0.748 -7.143 -1.559 1.00 0.00 C ATOM 655 O TRP A 43 0.973 -8.007 -0.713 1.00 0.00 O ATOM 656 CB TRP A 43 0.316 -4.746 -1.006 1.00 0.00 C ATOM 657 CG TRP A 43 1.283 -4.760 0.153 1.00 0.00 C ATOM 658 CD1 TRP A 43 2.037 -5.797 0.638 1.00 0.00 C ATOM 659 CD2 TRP A 43 1.614 -3.630 0.958 1.00 0.00 C ATOM 660 NE1 TRP A 43 2.810 -5.367 1.690 1.00 0.00 N ATOM 661 CE2 TRP A 43 2.565 -4.039 1.903 1.00 0.00 C ATOM 662 CE3 TRP A 43 1.191 -2.308 0.962 1.00 0.00 C ATOM 663 CZ2 TRP A 43 3.100 -3.163 2.842 1.00 0.00 C ATOM 664 CZ3 TRP A 43 1.719 -1.438 1.891 1.00 0.00 C ATOM 665 CH2 TRP A 43 2.662 -1.863 2.816 1.00 0.00 C ATOM 0 H TRP A 43 -1.189 -6.281 0.535 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.832 -6.009 -2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.840 -4.365 -1.883 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.480 -4.037 -0.777 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.025 -6.805 0.250 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.460 -5.944 2.224 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.458 -1.966 0.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.832 -3.494 3.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.393 -0.408 1.899 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.059 -1.156 3.530 1.00 0.00 H new ATOM 676 N THR A 44 1.429 -7.004 -2.689 1.00 0.00 N ATOM 677 CA THR A 44 2.546 -7.847 -3.072 1.00 0.00 C ATOM 678 C THR A 44 3.685 -6.932 -3.487 1.00 0.00 C ATOM 679 O THR A 44 3.701 -6.413 -4.604 1.00 0.00 O ATOM 680 CB THR A 44 2.159 -8.786 -4.210 1.00 0.00 C ATOM 681 OG1 THR A 44 1.022 -8.301 -4.903 1.00 0.00 O ATOM 682 CG2 THR A 44 1.844 -10.177 -3.721 1.00 0.00 C ATOM 0 H THR A 44 1.212 -6.284 -3.378 1.00 0.00 H new ATOM 0 HA THR A 44 2.849 -8.476 -2.235 1.00 0.00 H new ATOM 0 HB THR A 44 3.023 -8.826 -4.873 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.794 -8.918 -5.629 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.574 -10.808 -4.568 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.719 -10.594 -3.222 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.011 -10.136 -3.019 1.00 0.00 H new ATOM 690 N TYR A 45 4.600 -6.676 -2.565 1.00 0.00 N ATOM 691 CA TYR A 45 5.699 -5.754 -2.829 1.00 0.00 C ATOM 692 C TYR A 45 6.964 -6.447 -3.310 1.00 0.00 C ATOM 693 O TYR A 45 7.264 -7.580 -2.930 1.00 0.00 O ATOM 694 CB TYR A 45 5.973 -4.908 -1.578 1.00 0.00 C ATOM 695 CG TYR A 45 7.428 -4.640 -1.257 1.00 0.00 C ATOM 696 CD1 TYR A 45 8.309 -5.669 -0.931 1.00 0.00 C ATOM 697 CD2 TYR A 45 7.912 -3.339 -1.265 1.00 0.00 C ATOM 698 CE1 TYR A 45 9.629 -5.405 -0.626 1.00 0.00 C ATOM 699 CE2 TYR A 45 9.233 -3.071 -0.963 1.00 0.00 C ATOM 700 CZ TYR A 45 10.086 -4.104 -0.645 1.00 0.00 C ATOM 701 OH TYR A 45 11.402 -3.839 -0.344 1.00 0.00 O ATOM 0 H TYR A 45 4.606 -7.089 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 45 5.389 -5.106 -3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.466 -3.950 -1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.520 -5.407 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.954 -6.689 -0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.246 -2.525 -1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.300 -6.213 -0.374 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.596 -2.054 -0.976 1.00 0.00 H new ATOM 0 HH TYR A 45 11.949 -4.627 -0.546 1.00 0.00 H new ATOM 711 N ASP A 46 7.711 -5.724 -4.136 1.00 0.00 N ATOM 712 CA ASP A 46 8.968 -6.201 -4.679 1.00 0.00 C ATOM 713 C ASP A 46 10.127 -5.512 -3.976 1.00 0.00 C ATOM 714 O ASP A 46 9.952 -4.455 -3.364 1.00 0.00 O ATOM 715 CB ASP A 46 9.030 -5.925 -6.180 1.00 0.00 C ATOM 716 CG ASP A 46 9.425 -7.144 -6.974 1.00 0.00 C ATOM 717 OD1 ASP A 46 10.629 -7.490 -6.987 1.00 0.00 O ATOM 718 OD2 ASP A 46 8.537 -7.765 -7.600 1.00 0.00 O ATOM 0 H ASP A 46 7.457 -4.786 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 46 9.040 -7.276 -4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.057 -5.572 -6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.745 -5.124 -6.370 1.00 0.00 H new ATOM 723 N ASP A 47 11.310 -6.095 -4.085 1.00 0.00 N ATOM 724 CA ASP A 47 12.501 -5.527 -3.480 1.00 0.00 C ATOM 725 C ASP A 47 13.241 -4.717 -4.523 1.00 0.00 C ATOM 726 O ASP A 47 13.835 -3.677 -4.237 1.00 0.00 O ATOM 727 CB ASP A 47 13.393 -6.645 -2.953 1.00 0.00 C ATOM 728 CG ASP A 47 13.661 -6.526 -1.467 1.00 0.00 C ATOM 729 OD1 ASP A 47 13.897 -5.395 -0.994 1.00 0.00 O ATOM 730 OD2 ASP A 47 13.635 -7.565 -0.774 1.00 0.00 O ATOM 0 H ASP A 47 11.470 -6.966 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 47 12.223 -4.881 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.923 -7.607 -3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.341 -6.633 -3.491 1.00 0.00 H new ATOM 735 N ALA A 48 13.172 -5.214 -5.743 1.00 0.00 N ATOM 736 CA ALA A 48 13.797 -4.575 -6.880 1.00 0.00 C ATOM 737 C ALA A 48 13.221 -3.188 -7.102 1.00 0.00 C ATOM 738 O ALA A 48 13.925 -2.259 -7.499 1.00 0.00 O ATOM 739 CB ALA A 48 13.562 -5.438 -8.106 1.00 0.00 C ATOM 0 H ALA A 48 12.678 -6.076 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 48 14.866 -4.468 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.027 -4.971 -8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.999 -6.424 -7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.491 -5.540 -8.279 1.00 0.00 H new ATOM 745 N THR A 49 11.926 -3.065 -6.848 1.00 0.00 N ATOM 746 CA THR A 49 11.221 -1.803 -7.022 1.00 0.00 C ATOM 747 C THR A 49 11.045 -1.071 -5.695 1.00 0.00 C ATOM 748 O THR A 49 11.121 0.156 -5.642 1.00 0.00 O ATOM 749 CB THR A 49 9.855 -2.057 -7.661 1.00 0.00 C ATOM 750 OG1 THR A 49 8.948 -2.582 -6.710 1.00 0.00 O ATOM 751 CG2 THR A 49 9.913 -3.023 -8.823 1.00 0.00 C ATOM 0 H THR A 49 11.338 -3.831 -6.518 1.00 0.00 H new ATOM 0 HA THR A 49 11.821 -1.170 -7.676 1.00 0.00 H new ATOM 0 HB THR A 49 9.521 -1.087 -8.030 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.510 -1.846 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.912 -3.161 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.569 -2.623 -9.596 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.300 -3.983 -8.480 1.00 0.00 H new ATOM 759 N LYS A 50 10.796 -1.832 -4.630 1.00 0.00 N ATOM 760 CA LYS A 50 10.592 -1.259 -3.297 1.00 0.00 C ATOM 761 C LYS A 50 9.183 -0.700 -3.187 1.00 0.00 C ATOM 762 O LYS A 50 8.946 0.354 -2.584 1.00 0.00 O ATOM 763 CB LYS A 50 11.605 -0.156 -3.015 1.00 0.00 C ATOM 764 CG LYS A 50 13.011 -0.479 -3.499 1.00 0.00 C ATOM 765 CD LYS A 50 13.998 -0.543 -2.345 1.00 0.00 C ATOM 766 CE LYS A 50 15.403 -0.173 -2.793 1.00 0.00 C ATOM 767 NZ LYS A 50 15.990 -1.207 -3.689 1.00 0.00 N ATOM 0 H LYS A 50 10.730 -2.849 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 50 10.731 -2.050 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.269 0.765 -3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.634 0.033 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.005 -1.433 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.334 0.278 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.678 0.134 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.002 -1.548 -1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.378 0.785 -3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.041 -0.046 -1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.849 -1.597 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.299 -1.970 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.232 -0.776 -4.604 1.00 0.00 H new ATOM 781 N THR A 51 8.254 -1.408 -3.800 1.00 0.00 N ATOM 782 CA THR A 51 6.865 -0.994 -3.803 1.00 0.00 C ATOM 783 C THR A 51 5.933 -2.171 -3.572 1.00 0.00 C ATOM 784 O THR A 51 6.280 -3.313 -3.860 1.00 0.00 O ATOM 785 CB THR A 51 6.532 -0.317 -5.128 1.00 0.00 C ATOM 786 OG1 THR A 51 7.492 -0.640 -6.118 1.00 0.00 O ATOM 787 CG2 THR A 51 6.479 1.183 -5.013 1.00 0.00 C ATOM 0 H THR A 51 8.437 -2.276 -4.304 1.00 0.00 H new ATOM 0 HA THR A 51 6.720 -0.288 -2.985 1.00 0.00 H new ATOM 0 HB THR A 51 5.547 -0.688 -5.410 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.257 -0.196 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.238 1.614 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.713 1.466 -4.291 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.447 1.557 -4.680 1.00 0.00 H new ATOM 795 N PHE A 52 4.744 -1.875 -3.063 1.00 0.00 N ATOM 796 CA PHE A 52 3.741 -2.892 -2.800 1.00 0.00 C ATOM 797 C PHE A 52 2.441 -2.532 -3.503 1.00 0.00 C ATOM 798 O PHE A 52 2.151 -1.358 -3.717 1.00 0.00 O ATOM 799 CB PHE A 52 3.499 -3.062 -1.290 1.00 0.00 C ATOM 800 CG PHE A 52 4.490 -2.345 -0.407 1.00 0.00 C ATOM 801 CD1 PHE A 52 4.659 -0.974 -0.490 1.00 0.00 C ATOM 802 CD2 PHE A 52 5.267 -3.056 0.496 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.583 -0.330 0.302 1.00 0.00 C ATOM 804 CE2 PHE A 52 6.187 -2.416 1.292 1.00 0.00 C ATOM 805 CZ PHE A 52 6.349 -1.053 1.196 1.00 0.00 C ATOM 0 H PHE A 52 4.451 -0.928 -2.823 1.00 0.00 H new ATOM 0 HA PHE A 52 4.110 -3.841 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.497 -2.703 -1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.522 -4.125 -1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.060 -0.403 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.147 -4.126 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.709 0.740 0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.782 -2.983 1.992 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.074 -0.549 1.818 1.00 0.00 H new ATOM 815 N THR A 53 1.667 -3.541 -3.874 1.00 0.00 N ATOM 816 CA THR A 53 0.408 -3.312 -4.557 1.00 0.00 C ATOM 817 C THR A 53 -0.739 -3.973 -3.793 1.00 0.00 C ATOM 818 O THR A 53 -0.936 -5.180 -3.897 1.00 0.00 O ATOM 819 CB THR A 53 0.487 -3.854 -5.988 1.00 0.00 C ATOM 820 OG1 THR A 53 1.179 -2.951 -6.832 1.00 0.00 O ATOM 821 CG2 THR A 53 -0.863 -4.121 -6.613 1.00 0.00 C ATOM 0 H THR A 53 1.890 -4.523 -3.713 1.00 0.00 H new ATOM 0 HA THR A 53 0.216 -2.240 -4.599 1.00 0.00 H new ATOM 0 HB THR A 53 1.018 -4.802 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.219 -3.317 -7.740 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.726 -4.502 -7.625 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.401 -4.858 -6.017 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.437 -3.195 -6.649 1.00 0.00 H new ATOM 829 N VAL A 54 -1.493 -3.179 -3.033 1.00 0.00 N ATOM 830 CA VAL A 54 -2.610 -3.713 -2.257 1.00 0.00 C ATOM 831 C VAL A 54 -3.788 -4.020 -3.169 1.00 0.00 C ATOM 832 O VAL A 54 -4.584 -3.149 -3.506 1.00 0.00 O ATOM 833 CB VAL A 54 -3.034 -2.744 -1.119 1.00 0.00 C ATOM 834 CG1 VAL A 54 -4.546 -2.725 -0.906 1.00 0.00 C ATOM 835 CG2 VAL A 54 -2.338 -3.121 0.176 1.00 0.00 C ATOM 0 H VAL A 54 -1.352 -2.173 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.277 -4.639 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.732 -1.742 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.791 -2.033 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.039 -2.403 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.889 -3.725 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.643 -2.435 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.612 -4.139 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.258 -3.060 0.040 1.00 0.00 H new ATOM 845 N GLN A 55 -3.875 -5.271 -3.578 1.00 0.00 N ATOM 846 CA GLN A 55 -4.927 -5.712 -4.464 1.00 0.00 C ATOM 847 C GLN A 55 -5.980 -6.519 -3.711 1.00 0.00 C ATOM 848 O GLN A 55 -5.661 -7.461 -2.986 1.00 0.00 O ATOM 849 CB GLN A 55 -4.307 -6.531 -5.596 1.00 0.00 C ATOM 850 CG GLN A 55 -5.216 -7.608 -6.163 1.00 0.00 C ATOM 851 CD GLN A 55 -4.807 -8.047 -7.555 1.00 0.00 C ATOM 852 OE1 GLN A 55 -4.699 -7.229 -8.470 1.00 0.00 O ATOM 853 NE2 GLN A 55 -4.576 -9.343 -7.723 1.00 0.00 N ATOM 0 H GLN A 55 -3.221 -6.004 -3.305 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.435 -4.843 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.019 -5.855 -6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.393 -6.999 -5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.208 -8.471 -5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.240 -7.236 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.678 -9.985 -6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.297 -9.697 -8.638 1.00 0.00 H new ATOM 862 N ALA A 56 -7.236 -6.137 -3.897 1.00 0.00 N ATOM 863 CA ALA A 56 -8.350 -6.814 -3.245 1.00 0.00 C ATOM 864 C ALA A 56 -9.034 -7.787 -4.197 1.00 0.00 C ATOM 865 O ALA A 56 -8.746 -9.000 -4.112 1.00 0.00 O ATOM 866 CB ALA A 56 -9.351 -5.796 -2.719 1.00 0.00 C ATOM 867 OXT ALA A 56 -9.854 -7.331 -5.022 1.00 0.00 O ATOM 0 H ALA A 56 -7.510 -5.359 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.954 -7.386 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.178 -6.315 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.860 -5.143 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.733 -5.200 -3.548 1.00 0.00 H new