USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 48:sc= 0.244 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.0041) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.1) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.000488 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.12) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.26! C(o=-3.3!,f=-5.8!) USER MOD Single : A 38 GLN : amide:sc= -0.0052 X(o=-0.0052,f=-0.072) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.825 X(o=-0.82,f=-0.7) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.000807 USER MOD Single : A 74 SER OG : rot 39:sc= 0.0662 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00691 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.779 -0.736 2.381 1.00 0.00 N ATOM 2 CA GLY A 1 -20.012 -0.962 1.167 1.00 0.00 C ATOM 3 C GLY A 1 -20.850 -1.698 0.119 1.00 0.00 C ATOM 4 O GLY A 1 -21.462 -1.069 -0.743 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.189 -0.236 3.076 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.617 -0.161 2.160 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.080 -1.650 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.674 -0.008 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.120 -1.544 1.399 1.00 0.00 H new ATOM 8 N SER A 2 -20.849 -3.018 0.227 1.00 0.00 N ATOM 9 CA SER A 2 -21.601 -3.845 -0.701 1.00 0.00 C ATOM 10 C SER A 2 -21.066 -3.656 -2.122 1.00 0.00 C ATOM 11 O SER A 2 -20.338 -2.702 -2.393 1.00 0.00 O ATOM 12 CB SER A 2 -23.094 -3.516 -0.647 1.00 0.00 C ATOM 13 OG SER A 2 -23.834 -4.508 0.058 1.00 0.00 O ATOM 0 H SER A 2 -20.339 -3.536 0.943 1.00 0.00 H new ATOM 0 HA SER A 2 -21.476 -4.888 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.235 -2.548 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.482 -3.427 -1.662 1.00 0.00 H new ATOM 0 HG SER A 2 -24.782 -4.261 0.072 1.00 0.00 H new ATOM 19 N SER A 3 -21.448 -4.580 -2.992 1.00 0.00 N ATOM 20 CA SER A 3 -21.017 -4.527 -4.378 1.00 0.00 C ATOM 21 C SER A 3 -19.495 -4.661 -4.458 1.00 0.00 C ATOM 22 O SER A 3 -18.770 -4.010 -3.707 1.00 0.00 O ATOM 23 CB SER A 3 -21.470 -3.227 -5.047 1.00 0.00 C ATOM 24 OG SER A 3 -22.798 -3.324 -5.555 1.00 0.00 O ATOM 0 H SER A 3 -22.052 -5.370 -2.763 1.00 0.00 H new ATOM 0 HA SER A 3 -21.478 -5.359 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.416 -2.410 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.788 -2.981 -5.860 1.00 0.00 H new ATOM 0 HG SER A 3 -23.051 -2.474 -5.973 1.00 0.00 H new ATOM 30 N GLY A 4 -19.055 -5.511 -5.375 1.00 0.00 N ATOM 31 CA GLY A 4 -17.632 -5.739 -5.562 1.00 0.00 C ATOM 32 C GLY A 4 -17.132 -5.063 -6.841 1.00 0.00 C ATOM 33 O GLY A 4 -16.460 -4.035 -6.781 1.00 0.00 O ATOM 0 H GLY A 4 -19.659 -6.050 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.082 -5.353 -4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.435 -6.810 -5.611 1.00 0.00 H new ATOM 37 N SER A 5 -17.480 -5.669 -7.967 1.00 0.00 N ATOM 38 CA SER A 5 -17.075 -5.138 -9.257 1.00 0.00 C ATOM 39 C SER A 5 -17.854 -5.832 -10.376 1.00 0.00 C ATOM 40 O SER A 5 -18.266 -6.982 -10.230 1.00 0.00 O ATOM 41 CB SER A 5 -15.570 -5.308 -9.475 1.00 0.00 C ATOM 42 OG SER A 5 -14.860 -4.090 -9.266 1.00 0.00 O ATOM 0 H SER A 5 -18.037 -6.522 -8.012 1.00 0.00 H new ATOM 0 HA SER A 5 -17.299 -4.071 -9.273 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.189 -6.071 -8.796 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.388 -5.664 -10.489 1.00 0.00 H new ATOM 0 HG SER A 5 -15.154 -3.680 -8.426 1.00 0.00 H new ATOM 48 N SER A 6 -18.032 -5.105 -11.469 1.00 0.00 N ATOM 49 CA SER A 6 -18.755 -5.636 -12.612 1.00 0.00 C ATOM 50 C SER A 6 -18.104 -5.158 -13.911 1.00 0.00 C ATOM 51 O SER A 6 -17.884 -3.962 -14.096 1.00 0.00 O ATOM 52 CB SER A 6 -20.228 -5.223 -12.574 1.00 0.00 C ATOM 53 OG SER A 6 -21.099 -6.350 -12.589 1.00 0.00 O ATOM 0 H SER A 6 -17.688 -4.152 -11.587 1.00 0.00 H new ATOM 0 HA SER A 6 -18.710 -6.724 -12.569 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.416 -4.632 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.447 -4.584 -13.429 1.00 0.00 H new ATOM 0 HG SER A 6 -22.030 -6.044 -12.562 1.00 0.00 H new ATOM 59 N GLY A 7 -17.812 -6.117 -14.778 1.00 0.00 N ATOM 60 CA GLY A 7 -17.190 -5.809 -16.054 1.00 0.00 C ATOM 61 C GLY A 7 -16.928 -7.084 -16.858 1.00 0.00 C ATOM 62 O GLY A 7 -15.798 -7.566 -16.913 1.00 0.00 O ATOM 0 H GLY A 7 -17.995 -7.108 -14.621 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.835 -5.141 -16.625 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.251 -5.281 -15.887 1.00 0.00 H new ATOM 66 N TRP A 8 -17.992 -7.593 -17.463 1.00 0.00 N ATOM 67 CA TRP A 8 -17.891 -8.803 -18.261 1.00 0.00 C ATOM 68 C TRP A 8 -17.429 -9.937 -17.345 1.00 0.00 C ATOM 69 O TRP A 8 -16.530 -10.699 -17.699 1.00 0.00 O ATOM 70 CB TRP A 8 -16.967 -8.591 -19.463 1.00 0.00 C ATOM 71 CG TRP A 8 -17.705 -8.414 -20.791 1.00 0.00 C ATOM 72 CD1 TRP A 8 -17.872 -9.316 -21.769 1.00 0.00 C ATOM 73 CD2 TRP A 8 -18.374 -7.221 -21.251 1.00 0.00 C ATOM 74 NE1 TRP A 8 -18.596 -8.793 -22.821 1.00 0.00 N ATOM 75 CE2 TRP A 8 -18.911 -7.479 -22.496 1.00 0.00 C ATOM 76 CE3 TRP A 8 -18.521 -5.966 -20.636 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -19.631 -6.530 -23.232 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -19.243 -5.028 -21.384 1.00 0.00 C ATOM 79 CH2 TRP A 8 -19.789 -5.272 -22.638 1.00 0.00 C ATOM 0 H TRP A 8 -18.928 -7.189 -17.416 1.00 0.00 H new ATOM 0 HA TRP A 8 -18.861 -9.069 -18.682 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -16.349 -7.712 -19.283 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -16.293 -9.443 -19.545 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -17.488 -10.325 -21.737 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -18.853 -9.281 -23.679 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -18.109 -5.743 -19.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -20.042 -6.756 -24.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -19.385 -4.047 -20.956 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -20.333 -4.494 -23.153 1.00 0.00 H new ATOM 90 N GLN A 9 -18.065 -10.015 -16.185 1.00 0.00 N ATOM 91 CA GLN A 9 -17.730 -11.044 -15.215 1.00 0.00 C ATOM 92 C GLN A 9 -16.280 -10.887 -14.754 1.00 0.00 C ATOM 93 O GLN A 9 -15.400 -11.624 -15.197 1.00 0.00 O ATOM 94 CB GLN A 9 -17.974 -12.440 -15.791 1.00 0.00 C ATOM 95 CG GLN A 9 -18.673 -13.339 -14.770 1.00 0.00 C ATOM 96 CD GLN A 9 -17.667 -13.930 -13.780 1.00 0.00 C ATOM 97 OE1 GLN A 9 -16.815 -14.732 -14.125 1.00 0.00 O ATOM 98 NE2 GLN A 9 -17.813 -13.490 -12.533 1.00 0.00 N ATOM 0 H GLN A 9 -18.811 -9.382 -15.895 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.381 -10.925 -14.349 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -18.583 -12.364 -16.692 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -17.024 -12.887 -16.085 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -19.426 -12.765 -14.230 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -19.196 -14.144 -15.287 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.548 -12.818 -12.312 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.190 -13.825 -11.798 1.00 0.00 H new ATOM 107 N GLY A 10 -16.075 -9.921 -13.870 1.00 0.00 N ATOM 108 CA GLY A 10 -14.746 -9.658 -13.344 1.00 0.00 C ATOM 109 C GLY A 10 -13.702 -9.663 -14.463 1.00 0.00 C ATOM 110 O GLY A 10 -13.098 -10.695 -14.748 1.00 0.00 O ATOM 0 H GLY A 10 -16.807 -9.311 -13.505 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.736 -8.693 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.490 -10.412 -12.600 1.00 0.00 H new ATOM 114 N LEU A 11 -13.523 -8.497 -15.066 1.00 0.00 N ATOM 115 CA LEU A 11 -12.563 -8.354 -16.147 1.00 0.00 C ATOM 116 C LEU A 11 -11.937 -6.959 -16.086 1.00 0.00 C ATOM 117 O LEU A 11 -12.590 -5.967 -16.408 1.00 0.00 O ATOM 118 CB LEU A 11 -13.218 -8.676 -17.492 1.00 0.00 C ATOM 119 CG LEU A 11 -12.271 -9.113 -18.611 1.00 0.00 C ATOM 120 CD1 LEU A 11 -11.551 -10.412 -18.244 1.00 0.00 C ATOM 121 CD2 LEU A 11 -13.014 -9.226 -19.944 1.00 0.00 C ATOM 0 H LEU A 11 -14.026 -7.643 -14.827 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.752 -9.073 -16.034 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.953 -9.466 -17.336 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.764 -7.794 -17.828 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.507 -8.345 -18.732 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.884 -10.700 -19.056 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.970 -10.262 -17.334 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.285 -11.201 -18.080 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.318 -9.538 -20.723 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.812 -9.963 -19.854 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.441 -8.258 -20.206 1.00 0.00 H new ATOM 133 N SER A 12 -10.679 -6.927 -15.671 1.00 0.00 N ATOM 134 CA SER A 12 -9.958 -5.670 -15.564 1.00 0.00 C ATOM 135 C SER A 12 -8.498 -5.868 -15.975 1.00 0.00 C ATOM 136 O SER A 12 -8.034 -6.999 -16.107 1.00 0.00 O ATOM 137 CB SER A 12 -10.039 -5.108 -14.144 1.00 0.00 C ATOM 138 OG SER A 12 -9.599 -6.052 -13.171 1.00 0.00 O ATOM 0 H SER A 12 -10.141 -7.751 -15.405 1.00 0.00 H new ATOM 0 HA SER A 12 -10.423 -4.950 -16.237 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.430 -4.206 -14.076 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.067 -4.816 -13.927 1.00 0.00 H new ATOM 0 HG SER A 12 -9.664 -5.655 -12.277 1.00 0.00 H new ATOM 144 N SER A 13 -7.813 -4.750 -16.166 1.00 0.00 N ATOM 145 CA SER A 13 -6.415 -4.786 -16.559 1.00 0.00 C ATOM 146 C SER A 13 -5.523 -4.827 -15.316 1.00 0.00 C ATOM 147 O SER A 13 -4.736 -5.757 -15.143 1.00 0.00 O ATOM 148 CB SER A 13 -6.056 -3.580 -17.429 1.00 0.00 C ATOM 149 OG SER A 13 -6.317 -3.822 -18.809 1.00 0.00 O ATOM 0 H SER A 13 -8.201 -3.813 -16.056 1.00 0.00 H new ATOM 0 HA SER A 13 -6.249 -5.688 -17.148 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.626 -2.712 -17.099 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.002 -3.338 -17.296 1.00 0.00 H new ATOM 0 HG SER A 13 -6.077 -3.028 -19.331 1.00 0.00 H new ATOM 155 N LYS A 14 -5.676 -3.809 -14.483 1.00 0.00 N ATOM 156 CA LYS A 14 -4.895 -3.718 -13.261 1.00 0.00 C ATOM 157 C LYS A 14 -5.366 -4.791 -12.278 1.00 0.00 C ATOM 158 O LYS A 14 -6.088 -4.494 -11.327 1.00 0.00 O ATOM 159 CB LYS A 14 -4.950 -2.298 -12.694 1.00 0.00 C ATOM 160 CG LYS A 14 -3.594 -1.602 -12.823 1.00 0.00 C ATOM 161 CD LYS A 14 -3.397 -1.041 -14.233 1.00 0.00 C ATOM 162 CE LYS A 14 -3.556 0.481 -14.244 1.00 0.00 C ATOM 163 NZ LYS A 14 -2.366 1.122 -14.847 1.00 0.00 N ATOM 0 H LYS A 14 -6.329 -3.040 -14.630 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.843 -3.914 -13.467 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.710 -1.721 -13.221 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.246 -2.333 -11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.525 -0.795 -12.094 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.796 -2.308 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.406 -1.310 -14.600 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.121 -1.491 -14.912 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.448 0.755 -14.807 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.696 0.845 -13.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.490 2.155 -14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.521 0.875 -14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.250 0.788 -15.825 1.00 0.00 H new ATOM 177 N GLY A 15 -4.938 -6.017 -12.540 1.00 0.00 N ATOM 178 CA GLY A 15 -5.307 -7.136 -11.690 1.00 0.00 C ATOM 179 C GLY A 15 -4.066 -7.890 -11.207 1.00 0.00 C ATOM 180 O GLY A 15 -2.957 -7.628 -11.670 1.00 0.00 O ATOM 0 H GLY A 15 -4.339 -6.260 -13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.874 -6.774 -10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.959 -7.815 -12.239 1.00 0.00 H new ATOM 184 N ASP A 16 -4.295 -8.810 -10.282 1.00 0.00 N ATOM 185 CA ASP A 16 -3.209 -9.604 -9.730 1.00 0.00 C ATOM 186 C ASP A 16 -1.989 -8.707 -9.510 1.00 0.00 C ATOM 187 O ASP A 16 -1.026 -8.766 -10.272 1.00 0.00 O ATOM 188 CB ASP A 16 -2.805 -10.725 -10.689 1.00 0.00 C ATOM 189 CG ASP A 16 -3.958 -11.348 -11.478 1.00 0.00 C ATOM 190 OD1 ASP A 16 -4.643 -12.215 -10.893 1.00 0.00 O ATOM 191 OD2 ASP A 16 -4.128 -10.944 -12.649 1.00 0.00 O ATOM 0 H ASP A 16 -5.216 -9.024 -9.900 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.551 -10.039 -8.791 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.072 -10.333 -11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.309 -11.510 -10.118 1.00 0.00 H new ATOM 196 N LEU A 17 -2.070 -7.898 -8.464 1.00 0.00 N ATOM 197 CA LEU A 17 -0.985 -6.991 -8.133 1.00 0.00 C ATOM 198 C LEU A 17 -0.321 -7.449 -6.833 1.00 0.00 C ATOM 199 O LEU A 17 -0.910 -8.207 -6.064 1.00 0.00 O ATOM 200 CB LEU A 17 -1.488 -5.546 -8.091 1.00 0.00 C ATOM 201 CG LEU A 17 -1.644 -4.851 -9.445 1.00 0.00 C ATOM 202 CD1 LEU A 17 -2.162 -3.422 -9.270 1.00 0.00 C ATOM 203 CD2 LEU A 17 -0.336 -4.893 -10.237 1.00 0.00 C ATOM 0 H LEU A 17 -2.871 -7.852 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.219 -7.015 -8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.453 -5.533 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.800 -4.960 -7.481 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.389 -5.396 -10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.264 -2.950 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.133 -3.445 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.459 -2.852 -8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.475 -4.392 -11.195 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.447 -4.387 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.047 -5.930 -10.408 1.00 0.00 H new ATOM 215 N PRO A 18 0.930 -6.957 -6.622 1.00 0.00 N ATOM 216 CA PRO A 18 1.681 -7.308 -5.429 1.00 0.00 C ATOM 217 C PRO A 18 1.144 -6.563 -4.205 1.00 0.00 C ATOM 218 O PRO A 18 0.514 -5.515 -4.338 1.00 0.00 O ATOM 219 CB PRO A 18 3.123 -6.955 -5.753 1.00 0.00 C ATOM 220 CG PRO A 18 3.062 -5.995 -6.930 1.00 0.00 C ATOM 221 CD PRO A 18 1.659 -6.057 -7.511 1.00 0.00 C ATOM 0 HA PRO A 18 1.592 -8.363 -5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.614 -6.493 -4.897 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.696 -7.847 -6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.297 -4.981 -6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.800 -6.269 -7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.198 -5.070 -7.540 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.670 -6.434 -8.534 1.00 0.00 H new ATOM 229 N GLN A 19 1.412 -7.134 -3.040 1.00 0.00 N ATOM 230 CA GLN A 19 0.964 -6.538 -1.793 1.00 0.00 C ATOM 231 C GLN A 19 2.079 -6.595 -0.747 1.00 0.00 C ATOM 232 O GLN A 19 2.878 -7.530 -0.736 1.00 0.00 O ATOM 233 CB GLN A 19 -0.304 -7.224 -1.281 1.00 0.00 C ATOM 234 CG GLN A 19 -1.557 -6.541 -1.831 1.00 0.00 C ATOM 235 CD GLN A 19 -2.819 -7.311 -1.437 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.142 -7.470 -0.272 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.512 -7.779 -2.472 1.00 0.00 N ATOM 0 H GLN A 19 1.934 -8.004 -2.933 1.00 0.00 H new ATOM 0 HA GLN A 19 0.721 -5.492 -1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.298 -8.273 -1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.321 -7.199 -0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.616 -5.521 -1.451 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.492 -6.474 -2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.185 -7.610 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.370 -8.307 -2.314 1.00 0.00 H new ATOM 246 N VAL A 20 2.097 -5.582 0.108 1.00 0.00 N ATOM 247 CA VAL A 20 3.101 -5.505 1.156 1.00 0.00 C ATOM 248 C VAL A 20 2.439 -5.046 2.457 1.00 0.00 C ATOM 249 O VAL A 20 1.565 -4.180 2.441 1.00 0.00 O ATOM 250 CB VAL A 20 4.249 -4.595 0.715 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.806 -5.033 -0.641 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.805 -3.131 0.678 1.00 0.00 C ATOM 0 H VAL A 20 1.433 -4.808 0.096 1.00 0.00 H new ATOM 0 HA VAL A 20 3.536 -6.487 1.342 1.00 0.00 H new ATOM 0 HB VAL A 20 5.049 -4.684 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.621 -4.370 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.178 -6.055 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.016 -4.987 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.640 -2.506 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.980 -3.019 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.478 -2.825 1.672 1.00 0.00 H new ATOM 262 N GLU A 21 2.881 -5.646 3.552 1.00 0.00 N ATOM 263 CA GLU A 21 2.343 -5.309 4.859 1.00 0.00 C ATOM 264 C GLU A 21 3.300 -4.374 5.602 1.00 0.00 C ATOM 265 O GLU A 21 4.439 -4.742 5.884 1.00 0.00 O ATOM 266 CB GLU A 21 2.063 -6.570 5.678 1.00 0.00 C ATOM 267 CG GLU A 21 1.816 -6.226 7.148 1.00 0.00 C ATOM 268 CD GLU A 21 1.532 -7.487 7.967 1.00 0.00 C ATOM 269 OE1 GLU A 21 0.394 -7.991 7.856 1.00 0.00 O ATOM 270 OE2 GLU A 21 2.460 -7.918 8.684 1.00 0.00 O ATOM 0 H GLU A 21 3.606 -6.364 3.561 1.00 0.00 H new ATOM 0 HA GLU A 21 1.395 -4.789 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.194 -7.087 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.907 -7.255 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.686 -5.712 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.973 -5.539 7.228 1.00 0.00 H new ATOM 277 N ILE A 22 2.801 -3.183 5.899 1.00 0.00 N ATOM 278 CA ILE A 22 3.596 -2.193 6.604 1.00 0.00 C ATOM 279 C ILE A 22 3.986 -2.742 7.978 1.00 0.00 C ATOM 280 O ILE A 22 3.138 -3.243 8.714 1.00 0.00 O ATOM 281 CB ILE A 22 2.857 -0.855 6.664 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.377 -0.431 5.275 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.721 0.221 7.325 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.444 -0.714 4.216 1.00 0.00 C ATOM 0 H ILE A 22 1.855 -2.882 5.664 1.00 0.00 H new ATOM 0 HA ILE A 22 4.522 -1.995 6.065 1.00 0.00 H new ATOM 0 HB ILE A 22 1.971 -0.983 7.286 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.460 -0.965 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.136 0.632 5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.171 1.162 7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.970 -0.086 8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.638 0.355 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.077 -0.403 3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.351 -0.160 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.665 -1.781 4.198 1.00 0.00 H new ATOM 296 N THR A 23 5.271 -2.629 8.282 1.00 0.00 N ATOM 297 CA THR A 23 5.784 -3.109 9.554 1.00 0.00 C ATOM 298 C THR A 23 5.765 -1.986 10.594 1.00 0.00 C ATOM 299 O THR A 23 5.744 -2.248 11.795 1.00 0.00 O ATOM 300 CB THR A 23 7.179 -3.690 9.313 1.00 0.00 C ATOM 301 OG1 THR A 23 8.018 -2.544 9.202 1.00 0.00 O ATOM 302 CG2 THR A 23 7.300 -4.374 7.950 1.00 0.00 C ATOM 0 H THR A 23 5.972 -2.212 7.669 1.00 0.00 H new ATOM 0 HA THR A 23 5.153 -3.899 9.962 1.00 0.00 H new ATOM 0 HB THR A 23 7.415 -4.405 10.101 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.943 -2.829 9.046 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.309 -4.769 7.829 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.581 -5.191 7.888 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.097 -3.650 7.161 1.00 0.00 H new ATOM 310 N LYS A 24 5.773 -0.759 10.093 1.00 0.00 N ATOM 311 CA LYS A 24 5.756 0.404 10.964 1.00 0.00 C ATOM 312 C LYS A 24 5.004 1.543 10.272 1.00 0.00 C ATOM 313 O LYS A 24 5.037 1.659 9.048 1.00 0.00 O ATOM 314 CB LYS A 24 7.179 0.775 11.388 1.00 0.00 C ATOM 315 CG LYS A 24 8.026 1.173 10.178 1.00 0.00 C ATOM 316 CD LYS A 24 9.400 0.502 10.226 1.00 0.00 C ATOM 317 CE LYS A 24 10.482 1.426 9.663 1.00 0.00 C ATOM 318 NZ LYS A 24 10.988 2.333 10.717 1.00 0.00 N ATOM 0 H LYS A 24 5.791 -0.545 9.096 1.00 0.00 H new ATOM 0 HA LYS A 24 5.220 0.182 11.887 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.147 1.599 12.101 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.642 -0.070 11.898 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.511 0.890 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.147 2.256 10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.643 0.236 11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.376 -0.426 9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.303 0.832 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.076 2.010 8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.721 2.953 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.205 2.912 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.394 1.772 11.493 1.00 0.00 H new ATOM 332 N ALA A 25 4.345 2.354 11.086 1.00 0.00 N ATOM 333 CA ALA A 25 3.586 3.479 10.567 1.00 0.00 C ATOM 334 C ALA A 25 4.520 4.397 9.776 1.00 0.00 C ATOM 335 O ALA A 25 5.591 4.763 10.257 1.00 0.00 O ATOM 336 CB ALA A 25 2.896 4.206 11.723 1.00 0.00 C ATOM 0 H ALA A 25 4.321 2.255 12.101 1.00 0.00 H new ATOM 0 HA ALA A 25 2.807 3.135 9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.327 5.050 11.334 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.222 3.519 12.235 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.647 4.568 12.425 1.00 0.00 H new ATOM 342 N PHE A 26 4.079 4.743 8.575 1.00 0.00 N ATOM 343 CA PHE A 26 4.862 5.612 7.712 1.00 0.00 C ATOM 344 C PHE A 26 4.163 6.957 7.508 1.00 0.00 C ATOM 345 O PHE A 26 3.438 7.142 6.532 1.00 0.00 O ATOM 346 CB PHE A 26 4.987 4.905 6.361 1.00 0.00 C ATOM 347 CG PHE A 26 5.412 5.825 5.215 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.566 6.538 5.307 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.635 5.930 4.103 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.961 7.392 4.243 1.00 0.00 C ATOM 351 CE2 PHE A 26 5.029 6.784 3.040 1.00 0.00 C ATOM 352 CZ PHE A 26 6.184 7.497 3.132 1.00 0.00 C ATOM 0 H PHE A 26 3.190 4.437 8.179 1.00 0.00 H new ATOM 0 HA PHE A 26 5.836 5.804 8.162 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.712 4.096 6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.029 4.449 6.111 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.183 6.455 6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.718 5.364 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.878 7.958 4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.412 6.868 2.158 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.484 8.146 2.323 1.00 0.00 H new ATOM 362 N PHE A 27 4.404 7.862 8.446 1.00 0.00 N ATOM 363 CA PHE A 27 3.807 9.184 8.381 1.00 0.00 C ATOM 364 C PHE A 27 4.298 9.949 7.150 1.00 0.00 C ATOM 365 O PHE A 27 5.383 10.528 7.167 1.00 0.00 O ATOM 366 CB PHE A 27 4.244 9.935 9.640 1.00 0.00 C ATOM 367 CG PHE A 27 3.855 9.238 10.946 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.571 8.838 11.147 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.793 9.021 11.906 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.210 8.191 12.359 1.00 0.00 C ATOM 371 CE2 PHE A 27 4.432 8.374 13.118 1.00 0.00 C ATOM 372 CZ PHE A 27 3.148 7.973 13.319 1.00 0.00 C ATOM 0 H PHE A 27 5.005 7.705 9.255 1.00 0.00 H new ATOM 0 HA PHE A 27 2.722 9.098 8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.326 10.064 9.617 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.804 10.932 9.627 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.826 9.012 10.385 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.812 9.340 11.747 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.190 7.872 12.518 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.177 8.200 13.880 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.874 7.482 14.241 1.00 0.00 H new ATOM 382 N ALA A 28 3.476 9.925 6.111 1.00 0.00 N ATOM 383 CA ALA A 28 3.814 10.608 4.874 1.00 0.00 C ATOM 384 C ALA A 28 4.132 12.074 5.176 1.00 0.00 C ATOM 385 O ALA A 28 3.484 12.692 6.019 1.00 0.00 O ATOM 386 CB ALA A 28 2.664 10.455 3.876 1.00 0.00 C ATOM 0 H ALA A 28 2.577 9.443 6.101 1.00 0.00 H new ATOM 0 HA ALA A 28 4.701 10.165 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.917 10.967 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.497 9.397 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.758 10.891 4.296 1.00 0.00 H new ATOM 392 N LYS A 29 5.130 12.587 4.472 1.00 0.00 N ATOM 393 CA LYS A 29 5.542 13.968 4.654 1.00 0.00 C ATOM 394 C LYS A 29 5.167 14.777 3.410 1.00 0.00 C ATOM 395 O LYS A 29 4.899 15.974 3.501 1.00 0.00 O ATOM 396 CB LYS A 29 7.028 14.041 5.010 1.00 0.00 C ATOM 397 CG LYS A 29 7.900 13.720 3.794 1.00 0.00 C ATOM 398 CD LYS A 29 8.538 12.336 3.927 1.00 0.00 C ATOM 399 CE LYS A 29 10.055 12.446 4.099 1.00 0.00 C ATOM 400 NZ LYS A 29 10.407 12.555 5.532 1.00 0.00 N ATOM 0 H LYS A 29 5.666 12.071 3.774 1.00 0.00 H new ATOM 0 HA LYS A 29 5.013 14.415 5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.268 15.037 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.248 13.339 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.296 13.760 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.679 14.475 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.108 11.814 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.311 11.740 3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.541 11.572 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.426 13.318 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.440 12.629 5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.959 13.402 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.070 11.711 6.037 1.00 0.00 H new ATOM 414 N GLN A 30 5.160 14.090 2.277 1.00 0.00 N ATOM 415 CA GLN A 30 4.823 14.729 1.017 1.00 0.00 C ATOM 416 C GLN A 30 3.346 14.502 0.685 1.00 0.00 C ATOM 417 O GLN A 30 2.612 13.911 1.476 1.00 0.00 O ATOM 418 CB GLN A 30 5.722 14.223 -0.113 1.00 0.00 C ATOM 419 CG GLN A 30 7.086 14.916 -0.079 1.00 0.00 C ATOM 420 CD GLN A 30 7.131 16.085 -1.065 1.00 0.00 C ATOM 421 OE1 GLN A 30 6.495 17.110 -0.881 1.00 0.00 O ATOM 422 NE2 GLN A 30 7.916 15.876 -2.118 1.00 0.00 N ATOM 0 H GLN A 30 5.382 13.097 2.206 1.00 0.00 H new ATOM 0 HA GLN A 30 4.992 15.801 1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.855 13.145 -0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.241 14.405 -1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.289 15.278 0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.869 14.198 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.421 14.995 -2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.013 16.597 -2.833 1.00 0.00 H new ATOM 431 N ALA A 31 2.955 14.983 -0.486 1.00 0.00 N ATOM 432 CA ALA A 31 1.579 14.839 -0.931 1.00 0.00 C ATOM 433 C ALA A 31 1.462 13.598 -1.818 1.00 0.00 C ATOM 434 O ALA A 31 0.361 13.212 -2.208 1.00 0.00 O ATOM 435 CB ALA A 31 1.141 16.115 -1.653 1.00 0.00 C ATOM 0 H ALA A 31 3.566 15.472 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 31 0.912 14.700 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.109 16.008 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.216 16.962 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.786 16.285 -2.515 1.00 0.00 H new ATOM 441 N ASP A 32 2.611 13.008 -2.110 1.00 0.00 N ATOM 442 CA ASP A 32 2.651 11.818 -2.943 1.00 0.00 C ATOM 443 C ASP A 32 2.631 10.575 -2.051 1.00 0.00 C ATOM 444 O ASP A 32 2.192 9.508 -2.477 1.00 0.00 O ATOM 445 CB ASP A 32 3.929 11.776 -3.783 1.00 0.00 C ATOM 446 CG ASP A 32 5.176 12.328 -3.091 1.00 0.00 C ATOM 447 OD1 ASP A 32 5.344 12.019 -1.891 1.00 0.00 O ATOM 448 OD2 ASP A 32 5.935 13.048 -3.776 1.00 0.00 O ATOM 0 H ASP A 32 3.522 13.332 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 32 1.785 11.841 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.121 10.743 -4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.761 12.340 -4.701 1.00 0.00 H new ATOM 453 N GLU A 33 3.112 10.754 -0.830 1.00 0.00 N ATOM 454 CA GLU A 33 3.154 9.661 0.126 1.00 0.00 C ATOM 455 C GLU A 33 1.791 9.490 0.799 1.00 0.00 C ATOM 456 O GLU A 33 0.878 10.281 0.568 1.00 0.00 O ATOM 457 CB GLU A 33 4.255 9.883 1.165 1.00 0.00 C ATOM 458 CG GLU A 33 5.628 9.976 0.499 1.00 0.00 C ATOM 459 CD GLU A 33 6.527 10.974 1.231 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.158 11.343 2.367 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.563 11.346 0.639 1.00 0.00 O ATOM 0 H GLU A 33 3.476 11.640 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 33 3.388 8.743 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.055 10.798 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.251 9.064 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.100 8.993 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.512 10.281 -0.541 1.00 0.00 H new ATOM 468 N VAL A 34 1.696 8.452 1.617 1.00 0.00 N ATOM 469 CA VAL A 34 0.459 8.168 2.324 1.00 0.00 C ATOM 470 C VAL A 34 0.787 7.604 3.709 1.00 0.00 C ATOM 471 O VAL A 34 1.665 6.754 3.845 1.00 0.00 O ATOM 472 CB VAL A 34 -0.418 7.231 1.490 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.389 6.036 0.978 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.638 6.768 2.287 1.00 0.00 C ATOM 0 H VAL A 34 2.455 7.798 1.806 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.115 9.083 2.472 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.776 7.789 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.258 5.386 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.211 6.391 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.790 5.478 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.244 6.104 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.309 6.236 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.232 7.634 2.579 1.00 0.00 H new ATOM 484 N THR A 35 0.062 8.100 4.701 1.00 0.00 N ATOM 485 CA THR A 35 0.265 7.657 6.070 1.00 0.00 C ATOM 486 C THR A 35 -0.163 6.197 6.226 1.00 0.00 C ATOM 487 O THR A 35 -1.237 5.808 5.769 1.00 0.00 O ATOM 488 CB THR A 35 -0.491 8.614 6.993 1.00 0.00 C ATOM 489 OG1 THR A 35 0.199 9.853 6.849 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.317 8.261 8.472 1.00 0.00 C ATOM 0 H THR A 35 -0.667 8.804 4.584 1.00 0.00 H new ATOM 0 HA THR A 35 1.320 7.685 6.343 1.00 0.00 H new ATOM 0 HB THR A 35 -1.551 8.602 6.739 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.227 10.532 7.413 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.874 8.971 9.083 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.693 7.254 8.652 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.740 8.306 8.735 1.00 0.00 H new ATOM 498 N LEU A 36 0.699 5.427 6.874 1.00 0.00 N ATOM 499 CA LEU A 36 0.424 4.018 7.097 1.00 0.00 C ATOM 500 C LEU A 36 0.654 3.684 8.572 1.00 0.00 C ATOM 501 O LEU A 36 1.213 4.490 9.314 1.00 0.00 O ATOM 502 CB LEU A 36 1.243 3.153 6.136 1.00 0.00 C ATOM 503 CG LEU A 36 1.356 3.670 4.700 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.566 3.058 3.991 1.00 0.00 C ATOM 505 CD2 LEU A 36 0.058 3.431 3.927 1.00 0.00 C ATOM 0 H LEU A 36 1.589 5.753 7.252 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.620 3.795 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.249 3.045 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.802 2.157 6.109 1.00 0.00 H new ATOM 0 HG LEU A 36 1.515 4.748 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.623 3.442 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.476 3.322 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.462 1.973 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.166 3.808 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.156 2.363 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.761 3.952 4.422 1.00 0.00 H new ATOM 517 N GLN A 37 0.210 2.495 8.953 1.00 0.00 N ATOM 518 CA GLN A 37 0.361 2.046 10.326 1.00 0.00 C ATOM 519 C GLN A 37 1.043 0.676 10.365 1.00 0.00 C ATOM 520 O GLN A 37 1.322 0.089 9.321 1.00 0.00 O ATOM 521 CB GLN A 37 -0.991 2.005 11.041 1.00 0.00 C ATOM 522 CG GLN A 37 -1.481 3.417 11.369 1.00 0.00 C ATOM 523 CD GLN A 37 -0.464 4.163 12.236 1.00 0.00 C ATOM 524 OE1 GLN A 37 0.343 3.574 12.936 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.548 5.487 12.149 1.00 0.00 N ATOM 0 H GLN A 37 -0.254 1.829 8.335 1.00 0.00 H new ATOM 0 HA GLN A 37 0.993 2.760 10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.724 1.499 10.412 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.903 1.424 11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.652 3.970 10.445 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.437 3.362 11.889 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.248 5.915 11.543 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.087 6.075 12.688 1.00 0.00 H new ATOM 534 N GLN A 38 1.292 0.208 11.579 1.00 0.00 N ATOM 535 CA GLN A 38 1.936 -1.080 11.767 1.00 0.00 C ATOM 536 C GLN A 38 0.972 -2.213 11.409 1.00 0.00 C ATOM 537 O GLN A 38 -0.132 -2.286 11.946 1.00 0.00 O ATOM 538 CB GLN A 38 2.451 -1.232 13.200 1.00 0.00 C ATOM 539 CG GLN A 38 3.059 -2.618 13.420 1.00 0.00 C ATOM 540 CD GLN A 38 3.710 -2.719 14.801 1.00 0.00 C ATOM 541 OE1 GLN A 38 3.175 -2.269 15.801 1.00 0.00 O ATOM 542 NE2 GLN A 38 4.890 -3.333 14.800 1.00 0.00 N ATOM 0 H GLN A 38 1.059 0.698 12.443 1.00 0.00 H new ATOM 0 HA GLN A 38 2.795 -1.135 11.099 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.199 -0.466 13.404 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.633 -1.074 13.903 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.284 -3.378 13.323 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.802 -2.820 12.648 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.280 -3.686 13.926 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.404 -3.451 15.673 1.00 0.00 H new ATOM 551 N ALA A 39 1.424 -3.068 10.503 1.00 0.00 N ATOM 552 CA ALA A 39 0.615 -4.193 10.067 1.00 0.00 C ATOM 553 C ALA A 39 -0.525 -3.684 9.183 1.00 0.00 C ATOM 554 O ALA A 39 -1.681 -4.057 9.378 1.00 0.00 O ATOM 555 CB ALA A 39 0.107 -4.962 11.288 1.00 0.00 C ATOM 0 H ALA A 39 2.340 -3.004 10.059 1.00 0.00 H new ATOM 0 HA ALA A 39 1.211 -4.885 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.500 -5.806 10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.955 -5.328 11.866 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.497 -4.301 11.909 1.00 0.00 H new ATOM 561 N ASP A 40 -0.160 -2.838 8.230 1.00 0.00 N ATOM 562 CA ASP A 40 -1.138 -2.274 7.316 1.00 0.00 C ATOM 563 C ASP A 40 -0.896 -2.828 5.911 1.00 0.00 C ATOM 564 O ASP A 40 0.214 -2.741 5.388 1.00 0.00 O ATOM 565 CB ASP A 40 -1.017 -0.750 7.251 1.00 0.00 C ATOM 566 CG ASP A 40 -1.698 0.003 8.395 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.709 -0.555 9.514 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.193 1.118 8.125 1.00 0.00 O ATOM 0 H ASP A 40 0.799 -2.530 8.072 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.131 -2.542 7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.040 -0.485 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.441 -0.407 6.307 1.00 0.00 H new ATOM 573 N VAL A 41 -1.953 -3.386 5.338 1.00 0.00 N ATOM 574 CA VAL A 41 -1.868 -3.954 4.004 1.00 0.00 C ATOM 575 C VAL A 41 -2.047 -2.842 2.969 1.00 0.00 C ATOM 576 O VAL A 41 -2.888 -1.960 3.139 1.00 0.00 O ATOM 577 CB VAL A 41 -2.889 -5.083 3.851 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.740 -5.777 2.495 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.770 -6.089 4.997 1.00 0.00 C ATOM 0 H VAL A 41 -2.873 -3.457 5.774 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.886 -4.397 3.839 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.885 -4.642 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.477 -6.575 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.898 -5.052 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.738 -6.198 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.507 -6.881 4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.769 -6.521 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.949 -5.583 5.946 1.00 0.00 H new ATOM 589 N VAL A 42 -1.244 -2.920 1.918 1.00 0.00 N ATOM 590 CA VAL A 42 -1.303 -1.931 0.855 1.00 0.00 C ATOM 591 C VAL A 42 -1.174 -2.634 -0.498 1.00 0.00 C ATOM 592 O VAL A 42 -0.264 -3.437 -0.700 1.00 0.00 O ATOM 593 CB VAL A 42 -0.232 -0.860 1.077 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.073 0.020 -0.164 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.550 -0.015 2.312 1.00 0.00 C ATOM 0 H VAL A 42 -0.549 -3.653 1.780 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.264 -1.417 0.864 1.00 0.00 H new ATOM 0 HB VAL A 42 0.717 -1.366 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.694 0.773 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.221 -0.598 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.020 0.513 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.226 0.738 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.513 0.477 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.590 -0.657 3.192 1.00 0.00 H new ATOM 605 N LEU A 43 -2.098 -2.308 -1.389 1.00 0.00 N ATOM 606 CA LEU A 43 -2.100 -2.898 -2.716 1.00 0.00 C ATOM 607 C LEU A 43 -1.214 -2.062 -3.642 1.00 0.00 C ATOM 608 O LEU A 43 -1.566 -0.938 -3.996 1.00 0.00 O ATOM 609 CB LEU A 43 -3.532 -3.069 -3.225 1.00 0.00 C ATOM 610 CG LEU A 43 -3.688 -3.814 -4.552 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.253 -5.275 -4.415 1.00 0.00 C ATOM 612 CD2 LEU A 43 -5.116 -3.690 -5.087 1.00 0.00 C ATOM 0 H LEU A 43 -2.851 -1.642 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.675 -3.901 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.106 -3.598 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.979 -2.081 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.028 -3.348 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.374 -5.782 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.207 -5.316 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.868 -5.769 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.199 -4.229 -6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.813 -4.114 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.355 -2.639 -5.247 1.00 0.00 H new ATOM 624 N VAL A 44 -0.081 -2.643 -4.008 1.00 0.00 N ATOM 625 CA VAL A 44 0.858 -1.966 -4.886 1.00 0.00 C ATOM 626 C VAL A 44 0.184 -1.689 -6.231 1.00 0.00 C ATOM 627 O VAL A 44 -0.549 -2.532 -6.747 1.00 0.00 O ATOM 628 CB VAL A 44 2.140 -2.791 -5.018 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.118 -2.133 -5.993 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.793 -3.013 -3.652 1.00 0.00 C ATOM 0 H VAL A 44 0.208 -3.575 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 44 1.149 -1.004 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 44 1.870 -3.767 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.020 -2.740 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.653 -2.051 -6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.379 -1.138 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.702 -3.602 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.042 -2.050 -3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.101 -3.546 -3.000 1.00 0.00 H new ATOM 640 N LEU A 45 0.455 -0.505 -6.761 1.00 0.00 N ATOM 641 CA LEU A 45 -0.116 -0.107 -8.036 1.00 0.00 C ATOM 642 C LEU A 45 1.012 0.168 -9.032 1.00 0.00 C ATOM 643 O LEU A 45 0.913 -0.195 -10.203 1.00 0.00 O ATOM 644 CB LEU A 45 -1.073 1.072 -7.849 1.00 0.00 C ATOM 645 CG LEU A 45 -2.418 0.748 -7.196 1.00 0.00 C ATOM 646 CD1 LEU A 45 -3.030 1.995 -6.555 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.370 0.093 -8.199 1.00 0.00 C ATOM 0 H LEU A 45 1.063 0.192 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.719 -0.914 -8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.572 1.829 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.264 1.518 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.246 0.027 -6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.985 1.738 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.354 2.380 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.187 2.757 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.319 -0.127 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.542 0.772 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.929 -0.833 -8.568 1.00 0.00 H new ATOM 659 N GLN A 46 2.059 0.806 -8.530 1.00 0.00 N ATOM 660 CA GLN A 46 3.205 1.134 -9.361 1.00 0.00 C ATOM 661 C GLN A 46 4.502 0.965 -8.568 1.00 0.00 C ATOM 662 O GLN A 46 4.680 1.588 -7.523 1.00 0.00 O ATOM 663 CB GLN A 46 3.087 2.552 -9.923 1.00 0.00 C ATOM 664 CG GLN A 46 2.570 2.530 -11.363 1.00 0.00 C ATOM 665 CD GLN A 46 1.452 3.556 -11.561 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.675 4.686 -11.961 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.240 3.100 -11.257 1.00 0.00 N ATOM 0 H GLN A 46 2.138 1.105 -7.558 1.00 0.00 H new ATOM 0 HA GLN A 46 3.226 0.444 -10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.413 3.139 -9.300 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.060 3.042 -9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.389 2.742 -12.050 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.201 1.533 -11.605 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.124 2.142 -10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.573 3.708 -11.354 1.00 0.00 H new ATOM 676 N GLN A 47 5.374 0.118 -9.095 1.00 0.00 N ATOM 677 CA GLN A 47 6.650 -0.141 -8.449 1.00 0.00 C ATOM 678 C GLN A 47 7.758 0.677 -9.115 1.00 0.00 C ATOM 679 O GLN A 47 8.041 0.498 -10.299 1.00 0.00 O ATOM 680 CB GLN A 47 6.982 -1.634 -8.471 1.00 0.00 C ATOM 681 CG GLN A 47 6.477 -2.327 -7.203 1.00 0.00 C ATOM 682 CD GLN A 47 7.164 -3.680 -7.007 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.537 -4.726 -6.986 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.484 -3.601 -6.864 1.00 0.00 N ATOM 0 H GLN A 47 5.222 -0.398 -9.962 1.00 0.00 H new ATOM 0 HA GLN A 47 6.576 0.166 -7.406 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.530 -2.098 -9.348 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.060 -1.769 -8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.664 -1.691 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.398 -2.469 -7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.946 -2.692 -6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.034 -4.449 -6.727 1.00 0.00 H new ATOM 693 N GLU A 48 8.356 1.557 -8.326 1.00 0.00 N ATOM 694 CA GLU A 48 9.427 2.403 -8.824 1.00 0.00 C ATOM 695 C GLU A 48 10.679 2.239 -7.959 1.00 0.00 C ATOM 696 O GLU A 48 10.677 2.601 -6.784 1.00 0.00 O ATOM 697 CB GLU A 48 8.988 3.867 -8.881 1.00 0.00 C ATOM 698 CG GLU A 48 9.593 4.575 -10.095 1.00 0.00 C ATOM 699 CD GLU A 48 9.753 6.074 -9.833 1.00 0.00 C ATOM 700 OE1 GLU A 48 10.349 6.407 -8.786 1.00 0.00 O ATOM 701 OE2 GLU A 48 9.275 6.853 -10.685 1.00 0.00 O ATOM 0 H GLU A 48 8.119 1.703 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 48 9.668 2.091 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.900 3.922 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.294 4.378 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.564 4.138 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.955 4.420 -10.966 1.00 0.00 H new ATOM 708 N ASP A 49 11.717 1.695 -8.576 1.00 0.00 N ATOM 709 CA ASP A 49 12.973 1.479 -7.877 1.00 0.00 C ATOM 710 C ASP A 49 13.249 2.667 -6.954 1.00 0.00 C ATOM 711 O ASP A 49 13.672 3.728 -7.412 1.00 0.00 O ATOM 712 CB ASP A 49 14.138 1.364 -8.862 1.00 0.00 C ATOM 713 CG ASP A 49 15.162 0.276 -8.528 1.00 0.00 C ATOM 714 OD1 ASP A 49 15.675 0.311 -7.389 1.00 0.00 O ATOM 715 OD2 ASP A 49 15.408 -0.564 -9.420 1.00 0.00 O ATOM 0 H ASP A 49 11.715 1.397 -9.552 1.00 0.00 H new ATOM 0 HA ASP A 49 12.888 0.553 -7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.736 1.170 -9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.652 2.324 -8.907 1.00 0.00 H new ATOM 720 N GLY A 50 12.999 2.451 -5.671 1.00 0.00 N ATOM 721 CA GLY A 50 13.215 3.491 -4.680 1.00 0.00 C ATOM 722 C GLY A 50 11.968 3.696 -3.819 1.00 0.00 C ATOM 723 O GLY A 50 12.068 3.862 -2.604 1.00 0.00 O ATOM 0 H GLY A 50 12.649 1.570 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.060 3.223 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.474 4.425 -5.179 1.00 0.00 H new ATOM 727 N TRP A 51 10.820 3.678 -4.482 1.00 0.00 N ATOM 728 CA TRP A 51 9.555 3.860 -3.792 1.00 0.00 C ATOM 729 C TRP A 51 8.527 2.928 -4.438 1.00 0.00 C ATOM 730 O TRP A 51 8.599 2.652 -5.634 1.00 0.00 O ATOM 731 CB TRP A 51 9.126 5.328 -3.812 1.00 0.00 C ATOM 732 CG TRP A 51 9.819 6.192 -2.756 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.080 6.646 -2.759 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.233 6.693 -1.536 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.349 7.398 -1.634 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.191 7.428 -0.867 1.00 0.00 C ATOM 737 CE3 TRP A 51 7.938 6.530 -1.014 1.00 0.00 C ATOM 738 CZ2 TRP A 51 9.954 8.058 0.361 1.00 0.00 C ATOM 739 CZ3 TRP A 51 7.718 7.165 0.214 1.00 0.00 C ATOM 740 CH2 TRP A 51 8.671 7.909 0.900 1.00 0.00 C ATOM 0 H TRP A 51 10.740 3.540 -5.490 1.00 0.00 H new ATOM 0 HA TRP A 51 9.649 3.599 -2.738 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.332 5.743 -4.799 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.048 5.383 -3.662 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.796 6.448 -3.543 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.235 7.849 -1.407 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.173 5.960 -1.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.720 8.628 0.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.739 7.070 0.660 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.423 8.370 1.845 1.00 0.00 H new ATOM 751 N LEU A 52 7.594 2.469 -3.616 1.00 0.00 N ATOM 752 CA LEU A 52 6.552 1.574 -4.092 1.00 0.00 C ATOM 753 C LEU A 52 5.188 2.239 -3.900 1.00 0.00 C ATOM 754 O LEU A 52 4.870 2.709 -2.809 1.00 0.00 O ATOM 755 CB LEU A 52 6.670 0.207 -3.416 1.00 0.00 C ATOM 756 CG LEU A 52 8.093 -0.314 -3.201 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.793 -0.566 -4.537 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.894 0.633 -2.304 1.00 0.00 C ATOM 0 H LEU A 52 7.538 2.700 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 52 6.669 1.387 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.173 0.259 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.124 -0.521 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 52 8.031 -1.272 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.802 -0.936 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.233 -1.307 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.844 0.365 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.901 0.240 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.949 1.617 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.403 0.718 -1.335 1.00 0.00 H new ATOM 770 N TYR A 53 4.417 2.258 -4.978 1.00 0.00 N ATOM 771 CA TYR A 53 3.094 2.858 -4.942 1.00 0.00 C ATOM 772 C TYR A 53 2.011 1.787 -4.802 1.00 0.00 C ATOM 773 O TYR A 53 2.132 0.699 -5.364 1.00 0.00 O ATOM 774 CB TYR A 53 2.918 3.572 -6.284 1.00 0.00 C ATOM 775 CG TYR A 53 1.673 4.457 -6.359 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.551 5.550 -5.525 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.670 4.162 -7.260 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.379 6.383 -5.596 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.502 4.995 -7.331 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.590 6.064 -6.495 1.00 0.00 C ATOM 781 OH TYR A 53 -1.698 6.851 -6.562 1.00 0.00 O ATOM 0 H TYR A 53 4.684 1.867 -5.882 1.00 0.00 H new ATOM 0 HA TYR A 53 3.002 3.535 -4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.799 4.185 -6.476 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.869 2.826 -7.077 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.335 5.780 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.764 3.306 -7.912 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.272 7.242 -4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.294 4.776 -8.032 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.305 6.504 -7.249 1.00 0.00 H new ATOM 791 N GLY A 54 0.976 2.132 -4.050 1.00 0.00 N ATOM 792 CA GLY A 54 -0.128 1.214 -3.830 1.00 0.00 C ATOM 793 C GLY A 54 -1.306 1.924 -3.159 1.00 0.00 C ATOM 794 O GLY A 54 -1.273 3.138 -2.961 1.00 0.00 O ATOM 0 H GLY A 54 0.879 3.035 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.448 0.790 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.204 0.383 -3.207 1.00 0.00 H new ATOM 798 N GLU A 55 -2.319 1.137 -2.827 1.00 0.00 N ATOM 799 CA GLU A 55 -3.505 1.675 -2.182 1.00 0.00 C ATOM 800 C GLU A 55 -3.749 0.969 -0.847 1.00 0.00 C ATOM 801 O GLU A 55 -3.826 -0.257 -0.793 1.00 0.00 O ATOM 802 CB GLU A 55 -4.726 1.558 -3.096 1.00 0.00 C ATOM 803 CG GLU A 55 -5.997 2.007 -2.372 1.00 0.00 C ATOM 804 CD GLU A 55 -7.085 0.933 -2.456 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.803 0.933 -3.479 1.00 0.00 O ATOM 806 OE2 GLU A 55 -7.173 0.138 -1.496 1.00 0.00 O ATOM 0 H GLU A 55 -2.343 0.131 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.340 2.734 -1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.577 2.167 -3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.838 0.526 -3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.769 2.218 -1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.362 2.935 -2.812 1.00 0.00 H new ATOM 813 N ARG A 56 -3.865 1.775 0.199 1.00 0.00 N ATOM 814 CA ARG A 56 -4.099 1.243 1.531 1.00 0.00 C ATOM 815 C ARG A 56 -5.522 0.692 1.640 1.00 0.00 C ATOM 816 O ARG A 56 -6.465 1.441 1.889 1.00 0.00 O ATOM 817 CB ARG A 56 -3.894 2.320 2.598 1.00 0.00 C ATOM 818 CG ARG A 56 -3.648 1.692 3.971 1.00 0.00 C ATOM 819 CD ARG A 56 -3.462 2.769 5.042 1.00 0.00 C ATOM 820 NE ARG A 56 -4.594 3.722 5.002 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.620 4.885 5.668 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.578 5.245 6.429 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.689 5.687 5.573 1.00 0.00 N ATOM 0 H ARG A 56 -3.801 2.792 0.151 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.381 0.440 1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.047 2.950 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.771 2.966 2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.488 1.051 4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.763 1.057 3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.399 2.307 6.027 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.524 3.299 4.878 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.404 3.479 4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.764 4.634 6.502 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.598 6.130 6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.483 5.413 4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.709 6.572 6.080 1.00 0.00 H new ATOM 837 N LEU A 57 -5.633 -0.615 1.447 1.00 0.00 N ATOM 838 CA LEU A 57 -6.925 -1.275 1.520 1.00 0.00 C ATOM 839 C LEU A 57 -7.675 -0.782 2.760 1.00 0.00 C ATOM 840 O LEU A 57 -8.905 -0.806 2.795 1.00 0.00 O ATOM 841 CB LEU A 57 -6.754 -2.795 1.469 1.00 0.00 C ATOM 842 CG LEU A 57 -6.146 -3.358 0.183 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.623 -2.572 -1.040 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.619 -3.405 0.273 1.00 0.00 C ATOM 0 H LEU A 57 -4.849 -1.234 1.240 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.534 -1.017 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.127 -3.099 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.730 -3.256 1.618 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.494 -4.384 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.176 -2.993 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.709 -2.634 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.325 -1.528 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.212 -3.809 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.233 -2.398 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.323 -4.041 1.107 1.00 0.00 H new ATOM 856 N ARG A 58 -6.904 -0.348 3.745 1.00 0.00 N ATOM 857 CA ARG A 58 -7.480 0.149 4.983 1.00 0.00 C ATOM 858 C ARG A 58 -8.673 1.060 4.685 1.00 0.00 C ATOM 859 O ARG A 58 -9.808 0.734 5.027 1.00 0.00 O ATOM 860 CB ARG A 58 -6.445 0.926 5.799 1.00 0.00 C ATOM 861 CG ARG A 58 -7.045 1.419 7.118 1.00 0.00 C ATOM 862 CD ARG A 58 -6.104 2.405 7.813 1.00 0.00 C ATOM 863 NE ARG A 58 -6.887 3.489 8.448 1.00 0.00 N ATOM 864 CZ ARG A 58 -6.446 4.234 9.471 1.00 0.00 C ATOM 865 NH1 ARG A 58 -5.226 4.016 9.981 1.00 0.00 N ATOM 866 NH2 ARG A 58 -7.225 5.196 9.984 1.00 0.00 N ATOM 0 H ARG A 58 -5.885 -0.330 3.711 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.812 -0.712 5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.584 0.289 6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.083 1.776 5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.005 1.899 6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.237 0.570 7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.510 1.885 8.565 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.405 2.825 7.090 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.820 3.681 8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.633 3.283 9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.890 4.583 10.760 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.154 5.361 9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.889 5.763 10.763 1.00 0.00 H new ATOM 880 N ASP A 59 -8.374 2.184 4.049 1.00 0.00 N ATOM 881 CA ASP A 59 -9.408 3.144 3.701 1.00 0.00 C ATOM 882 C ASP A 59 -9.515 3.241 2.178 1.00 0.00 C ATOM 883 O ASP A 59 -10.569 3.591 1.648 1.00 0.00 O ATOM 884 CB ASP A 59 -9.071 4.536 4.241 1.00 0.00 C ATOM 885 CG ASP A 59 -9.299 4.720 5.742 1.00 0.00 C ATOM 886 OD1 ASP A 59 -10.485 4.736 6.138 1.00 0.00 O ATOM 887 OD2 ASP A 59 -8.283 4.840 6.460 1.00 0.00 O ATOM 0 H ASP A 59 -7.431 2.451 3.766 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.346 2.804 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.026 4.752 4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.670 5.272 3.705 1.00 0.00 H new ATOM 892 N GLY A 60 -8.412 2.924 1.517 1.00 0.00 N ATOM 893 CA GLY A 60 -8.369 2.971 0.066 1.00 0.00 C ATOM 894 C GLY A 60 -7.459 4.101 -0.420 1.00 0.00 C ATOM 895 O GLY A 60 -7.443 4.424 -1.607 1.00 0.00 O ATOM 0 H GLY A 60 -7.540 2.633 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.010 2.018 -0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.376 3.116 -0.327 1.00 0.00 H new ATOM 899 N GLU A 61 -6.722 4.671 0.523 1.00 0.00 N ATOM 900 CA GLU A 61 -5.812 5.758 0.206 1.00 0.00 C ATOM 901 C GLU A 61 -4.682 5.258 -0.697 1.00 0.00 C ATOM 902 O GLU A 61 -4.023 4.268 -0.382 1.00 0.00 O ATOM 903 CB GLU A 61 -5.253 6.395 1.480 1.00 0.00 C ATOM 904 CG GLU A 61 -5.487 7.907 1.485 1.00 0.00 C ATOM 905 CD GLU A 61 -4.412 8.625 2.303 1.00 0.00 C ATOM 906 OE1 GLU A 61 -4.072 8.095 3.383 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.954 9.687 1.830 1.00 0.00 O ATOM 0 H GLU A 61 -6.737 4.400 1.506 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.368 6.526 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.727 5.947 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.185 6.188 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.482 8.283 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.471 8.125 1.900 1.00 0.00 H new ATOM 914 N THR A 62 -4.494 5.965 -1.802 1.00 0.00 N ATOM 915 CA THR A 62 -3.456 5.605 -2.753 1.00 0.00 C ATOM 916 C THR A 62 -2.312 6.620 -2.702 1.00 0.00 C ATOM 917 O THR A 62 -2.491 7.781 -3.065 1.00 0.00 O ATOM 918 CB THR A 62 -4.101 5.485 -4.135 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.442 5.089 -3.859 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.529 4.323 -4.949 1.00 0.00 C ATOM 0 H THR A 62 -5.043 6.785 -2.060 1.00 0.00 H new ATOM 0 HA THR A 62 -3.007 4.643 -2.504 1.00 0.00 H new ATOM 0 HB THR A 62 -3.960 6.416 -4.684 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.934 4.989 -4.701 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.021 4.283 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.458 4.470 -5.090 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.700 3.387 -4.417 1.00 0.00 H new ATOM 928 N GLY A 63 -1.161 6.144 -2.249 1.00 0.00 N ATOM 929 CA GLY A 63 0.012 6.995 -2.147 1.00 0.00 C ATOM 930 C GLY A 63 1.290 6.204 -2.431 1.00 0.00 C ATOM 931 O GLY A 63 1.230 5.030 -2.792 1.00 0.00 O ATOM 0 H GLY A 63 -1.016 5.180 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.072 7.822 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.064 7.431 -1.149 1.00 0.00 H new ATOM 935 N TRP A 64 2.417 6.879 -2.256 1.00 0.00 N ATOM 936 CA TRP A 64 3.708 6.253 -2.489 1.00 0.00 C ATOM 937 C TRP A 64 4.258 5.788 -1.139 1.00 0.00 C ATOM 938 O TRP A 64 4.423 6.592 -0.222 1.00 0.00 O ATOM 939 CB TRP A 64 4.653 7.204 -3.225 1.00 0.00 C ATOM 940 CG TRP A 64 4.398 7.295 -4.731 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.632 8.177 -5.386 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.945 6.430 -5.749 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.645 7.945 -6.747 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.468 6.849 -6.974 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.813 5.330 -5.638 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.804 6.225 -8.181 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.139 4.717 -6.853 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.668 5.127 -8.095 1.00 0.00 C ATOM 0 H TRP A 64 2.463 7.853 -1.956 1.00 0.00 H new ATOM 0 HA TRP A 64 3.605 5.385 -3.140 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.560 8.199 -2.791 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.680 6.878 -3.060 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.074 8.970 -4.910 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.143 8.480 -7.456 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.198 4.985 -4.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.417 6.572 -9.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.803 3.866 -6.824 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.967 4.601 -8.989 1.00 0.00 H new ATOM 959 N PHE A 65 4.528 4.494 -1.060 1.00 0.00 N ATOM 960 CA PHE A 65 5.056 3.912 0.162 1.00 0.00 C ATOM 961 C PHE A 65 6.371 3.176 -0.104 1.00 0.00 C ATOM 962 O PHE A 65 6.473 2.408 -1.059 1.00 0.00 O ATOM 963 CB PHE A 65 4.017 2.909 0.666 1.00 0.00 C ATOM 964 CG PHE A 65 4.045 1.564 -0.063 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.059 0.688 0.167 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.057 1.246 -0.941 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.085 -0.561 -0.509 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.083 -0.002 -1.617 1.00 0.00 C ATOM 969 CZ PHE A 65 4.097 -0.879 -1.387 1.00 0.00 C ATOM 0 H PHE A 65 4.391 3.831 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 65 5.251 4.697 0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.179 2.737 1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.024 3.347 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.844 0.942 0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.252 1.943 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.889 -1.258 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.298 -0.255 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.117 -1.828 -1.902 1.00 0.00 H new ATOM 979 N PRO A 66 7.369 3.444 0.779 1.00 0.00 N ATOM 980 CA PRO A 66 8.673 2.816 0.649 1.00 0.00 C ATOM 981 C PRO A 66 8.624 1.354 1.095 1.00 0.00 C ATOM 982 O PRO A 66 7.785 0.978 1.912 1.00 0.00 O ATOM 983 CB PRO A 66 9.605 3.665 1.497 1.00 0.00 C ATOM 984 CG PRO A 66 8.710 4.456 2.437 1.00 0.00 C ATOM 985 CD PRO A 66 7.284 4.349 1.922 1.00 0.00 C ATOM 0 HA PRO A 66 9.020 2.778 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.302 3.040 2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.202 4.331 0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.780 4.063 3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.025 5.499 2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.615 3.957 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.895 5.324 1.627 1.00 0.00 H new ATOM 993 N GLU A 67 9.534 0.568 0.538 1.00 0.00 N ATOM 994 CA GLU A 67 9.605 -0.845 0.869 1.00 0.00 C ATOM 995 C GLU A 67 10.234 -1.037 2.250 1.00 0.00 C ATOM 996 O GLU A 67 9.856 -1.945 2.988 1.00 0.00 O ATOM 997 CB GLU A 67 10.381 -1.620 -0.199 1.00 0.00 C ATOM 998 CG GLU A 67 11.658 -0.876 -0.595 1.00 0.00 C ATOM 999 CD GLU A 67 12.855 -1.829 -0.643 1.00 0.00 C ATOM 1000 OE1 GLU A 67 12.785 -2.787 -1.443 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.811 -1.578 0.121 1.00 0.00 O ATOM 0 H GLU A 67 10.228 0.883 -0.140 1.00 0.00 H new ATOM 0 HA GLU A 67 8.590 -1.243 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.635 -2.611 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.752 -1.764 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.523 -0.407 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.854 -0.076 0.119 1.00 0.00 H new ATOM 1008 N ASP A 68 11.183 -0.165 2.559 1.00 0.00 N ATOM 1009 CA ASP A 68 11.868 -0.226 3.839 1.00 0.00 C ATOM 1010 C ASP A 68 10.833 -0.242 4.966 1.00 0.00 C ATOM 1011 O ASP A 68 11.127 -0.679 6.078 1.00 0.00 O ATOM 1012 CB ASP A 68 12.768 0.994 4.041 1.00 0.00 C ATOM 1013 CG ASP A 68 14.240 0.674 4.312 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.482 -0.320 5.030 1.00 0.00 O ATOM 1015 OD2 ASP A 68 15.089 1.431 3.795 1.00 0.00 O ATOM 0 H ASP A 68 11.494 0.588 1.945 1.00 0.00 H new ATOM 0 HA ASP A 68 12.478 -1.130 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.706 1.623 3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.380 1.579 4.874 1.00 0.00 H new ATOM 1020 N PHE A 69 9.643 0.239 4.640 1.00 0.00 N ATOM 1021 CA PHE A 69 8.563 0.286 5.611 1.00 0.00 C ATOM 1022 C PHE A 69 7.482 -0.745 5.279 1.00 0.00 C ATOM 1023 O PHE A 69 6.345 -0.626 5.732 1.00 0.00 O ATOM 1024 CB PHE A 69 7.954 1.687 5.536 1.00 0.00 C ATOM 1025 CG PHE A 69 8.856 2.789 6.097 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.894 3.260 5.356 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.619 3.296 7.336 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.732 4.282 5.876 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.456 4.318 7.856 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.495 4.790 7.116 1.00 0.00 C ATOM 0 H PHE A 69 9.402 0.600 3.717 1.00 0.00 H new ATOM 0 HA PHE A 69 8.948 0.062 6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.722 1.916 4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.010 1.691 6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.081 2.857 4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.794 2.921 7.924 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.557 4.656 5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.268 4.721 8.840 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.131 5.567 7.512 1.00 0.00 H new ATOM 1040 N ALA A 70 7.876 -1.735 4.491 1.00 0.00 N ATOM 1041 CA ALA A 70 6.955 -2.786 4.093 1.00 0.00 C ATOM 1042 C ALA A 70 7.740 -4.071 3.824 1.00 0.00 C ATOM 1043 O ALA A 70 8.968 -4.049 3.751 1.00 0.00 O ATOM 1044 CB ALA A 70 6.152 -2.327 2.873 1.00 0.00 C ATOM 0 H ALA A 70 8.820 -1.831 4.118 1.00 0.00 H new ATOM 0 HA ALA A 70 6.243 -2.995 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.461 -3.115 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.590 -1.428 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.833 -2.110 2.050 1.00 0.00 H new ATOM 1050 N ARG A 71 7.000 -5.161 3.684 1.00 0.00 N ATOM 1051 CA ARG A 71 7.612 -6.453 3.424 1.00 0.00 C ATOM 1052 C ARG A 71 6.792 -7.231 2.393 1.00 0.00 C ATOM 1053 O ARG A 71 5.676 -7.663 2.679 1.00 0.00 O ATOM 1054 CB ARG A 71 7.719 -7.279 4.708 1.00 0.00 C ATOM 1055 CG ARG A 71 9.026 -6.978 5.445 1.00 0.00 C ATOM 1056 CD ARG A 71 9.450 -8.163 6.315 1.00 0.00 C ATOM 1057 NE ARG A 71 10.279 -9.101 5.525 1.00 0.00 N ATOM 1058 CZ ARG A 71 10.618 -10.331 5.933 1.00 0.00 C ATOM 1059 NH1 ARG A 71 10.201 -10.780 7.125 1.00 0.00 N ATOM 1060 NH2 ARG A 71 11.374 -11.112 5.150 1.00 0.00 N ATOM 0 H ARG A 71 5.982 -5.176 3.746 1.00 0.00 H new ATOM 0 HA ARG A 71 8.614 -6.273 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.872 -7.059 5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.669 -8.341 4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.811 -6.753 4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.901 -6.092 6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.012 -7.808 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.569 -8.678 6.697 1.00 0.00 H new ATOM 0 HE ARG A 71 10.613 -8.791 4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.626 -10.185 7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.459 -11.717 7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.692 -10.770 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.632 -12.049 5.461 1.00 0.00 H new ATOM 1074 N PHE A 72 7.377 -7.386 1.214 1.00 0.00 N ATOM 1075 CA PHE A 72 6.715 -8.105 0.139 1.00 0.00 C ATOM 1076 C PHE A 72 6.257 -9.488 0.604 1.00 0.00 C ATOM 1077 O PHE A 72 7.054 -10.423 0.662 1.00 0.00 O ATOM 1078 CB PHE A 72 7.739 -8.271 -0.985 1.00 0.00 C ATOM 1079 CG PHE A 72 7.687 -7.167 -2.044 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.803 -7.255 -3.074 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.523 -6.099 -1.954 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.754 -6.231 -4.056 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.474 -5.075 -2.937 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.591 -5.162 -3.967 1.00 0.00 C ATOM 0 H PHE A 72 8.302 -7.026 0.980 1.00 0.00 H new ATOM 0 HA PHE A 72 5.835 -7.553 -0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.738 -8.297 -0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.577 -9.234 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.139 -8.104 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.224 -6.029 -1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.052 -6.301 -4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.139 -4.227 -2.866 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.554 -4.383 -4.714 1.00 0.00 H new ATOM 1094 N ILE A 73 4.974 -9.575 0.925 1.00 0.00 N ATOM 1095 CA ILE A 73 4.401 -10.829 1.384 1.00 0.00 C ATOM 1096 C ILE A 73 4.668 -11.918 0.343 1.00 0.00 C ATOM 1097 O ILE A 73 5.205 -12.976 0.670 1.00 0.00 O ATOM 1098 CB ILE A 73 2.919 -10.649 1.719 1.00 0.00 C ATOM 1099 CG1 ILE A 73 2.723 -9.554 2.769 1.00 0.00 C ATOM 1100 CG2 ILE A 73 2.289 -11.976 2.149 1.00 0.00 C ATOM 1101 CD1 ILE A 73 1.264 -9.486 3.225 1.00 0.00 C ATOM 0 H ILE A 73 4.315 -8.798 0.876 1.00 0.00 H new ATOM 0 HA ILE A 73 4.877 -11.149 2.310 1.00 0.00 H new ATOM 0 HB ILE A 73 2.402 -10.325 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.367 -9.748 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.024 -8.591 2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.236 -11.820 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.379 -12.701 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.804 -12.354 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.152 -8.699 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.625 -9.268 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.974 -10.442 3.660 1.00 0.00 H new ATOM 1113 N SER A 74 4.282 -11.622 -0.889 1.00 0.00 N ATOM 1114 CA SER A 74 4.474 -12.563 -1.980 1.00 0.00 C ATOM 1115 C SER A 74 4.497 -11.817 -3.316 1.00 0.00 C ATOM 1116 O SER A 74 3.664 -10.945 -3.559 1.00 0.00 O ATOM 1117 CB SER A 74 3.377 -13.629 -1.987 1.00 0.00 C ATOM 1118 OG SER A 74 3.811 -14.846 -1.386 1.00 0.00 O ATOM 0 H SER A 74 3.837 -10.744 -1.156 1.00 0.00 H new ATOM 0 HA SER A 74 5.430 -13.065 -1.834 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.503 -13.253 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.066 -13.822 -3.014 1.00 0.00 H new ATOM 0 HG SER A 74 4.369 -14.645 -0.606 1.00 0.00 H new ATOM 1124 N GLY A 75 5.460 -12.188 -4.147 1.00 0.00 N ATOM 1125 CA GLY A 75 5.603 -11.565 -5.452 1.00 0.00 C ATOM 1126 C GLY A 75 5.490 -12.604 -6.570 1.00 0.00 C ATOM 1127 O GLY A 75 4.779 -13.597 -6.431 1.00 0.00 O ATOM 0 H GLY A 75 6.149 -12.912 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.836 -10.802 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.567 -11.061 -5.515 1.00 0.00 H new ATOM 1131 N PRO A 76 6.222 -12.331 -7.684 1.00 0.00 N ATOM 1132 CA PRO A 76 6.211 -13.230 -8.826 1.00 0.00 C ATOM 1133 C PRO A 76 7.042 -14.483 -8.544 1.00 0.00 C ATOM 1134 O PRO A 76 7.958 -14.454 -7.724 1.00 0.00 O ATOM 1135 CB PRO A 76 6.753 -12.405 -9.981 1.00 0.00 C ATOM 1136 CG PRO A 76 7.479 -11.228 -9.349 1.00 0.00 C ATOM 1137 CD PRO A 76 7.076 -11.164 -7.885 1.00 0.00 C ATOM 0 HA PRO A 76 5.214 -13.606 -9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.430 -12.995 -10.599 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.946 -12.064 -10.629 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.558 -11.350 -9.443 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.218 -10.300 -9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.949 -11.195 -7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.543 -10.240 -7.661 1.00 0.00 H new ATOM 1145 N SER A 77 6.693 -15.554 -9.242 1.00 0.00 N ATOM 1146 CA SER A 77 7.395 -16.816 -9.077 1.00 0.00 C ATOM 1147 C SER A 77 8.082 -17.207 -10.387 1.00 0.00 C ATOM 1148 O SER A 77 7.416 -17.522 -11.372 1.00 0.00 O ATOM 1149 CB SER A 77 6.440 -17.923 -8.628 1.00 0.00 C ATOM 1150 OG SER A 77 7.035 -19.214 -8.728 1.00 0.00 O ATOM 0 H SER A 77 5.934 -15.574 -9.923 1.00 0.00 H new ATOM 0 HA SER A 77 8.150 -16.689 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.135 -17.743 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.537 -17.892 -9.237 1.00 0.00 H new ATOM 0 HG SER A 77 6.394 -19.893 -8.431 1.00 0.00 H new ATOM 1156 N SER A 78 9.406 -17.174 -10.357 1.00 0.00 N ATOM 1157 CA SER A 78 10.191 -17.521 -11.530 1.00 0.00 C ATOM 1158 C SER A 78 9.787 -18.906 -12.038 1.00 0.00 C ATOM 1159 O SER A 78 9.345 -19.049 -13.177 1.00 0.00 O ATOM 1160 CB SER A 78 11.689 -17.484 -11.221 1.00 0.00 C ATOM 1161 OG SER A 78 12.006 -18.198 -10.029 1.00 0.00 O ATOM 0 H SER A 78 9.956 -16.912 -9.539 1.00 0.00 H new ATOM 0 HA SER A 78 9.990 -16.783 -12.307 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.242 -17.911 -12.057 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.013 -16.448 -11.120 1.00 0.00 H new ATOM 0 HG SER A 78 12.971 -18.152 -9.867 1.00 0.00 H new ATOM 1167 N GLY A 79 9.954 -19.892 -11.169 1.00 0.00 N ATOM 1168 CA GLY A 79 9.612 -21.261 -11.515 1.00 0.00 C ATOM 1169 C GLY A 79 10.056 -22.231 -10.419 1.00 0.00 C ATOM 1170 O GLY A 79 9.231 -22.732 -9.656 1.00 0.00 O ATOM 0 H GLY A 79 10.322 -19.770 -10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.536 -21.344 -11.665 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.087 -21.531 -12.458 1.00 0.00 H new TER 1174 GLY A 79