USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 180:sc= -0.703 USER MOD Set 1.2: A 44 GLN : amide:sc= -0.496 X(o=-1.2,f=-0.91) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= -0.96 F(o=-1.8,f=-0.96) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 166:sc=-0.00373 (180deg=-0.114) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -6! C(o=-7.1!,f=-6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 72:sc= -0.282 USER MOD Single : A 48 HIS : no HE2:sc= -8.08! C(o=-8.1!,f=-7.9!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= -0.0093 (180deg=-0.15) USER MOD Single : A 58 GLN :FLIP amide:sc= -1.13 F(o=-2,f=-1.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.353 -8.157 -21.208 1.00 0.00 N ATOM 2 CA GLY A 1 -6.680 -8.261 -19.798 1.00 0.00 C ATOM 3 C GLY A 1 -6.297 -7.017 -19.020 1.00 0.00 C ATOM 4 O GLY A 1 -5.172 -6.904 -18.532 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.634 -9.032 -21.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.861 -7.350 -21.624 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.329 -8.014 -21.317 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.750 -8.439 -19.689 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.168 -9.124 -19.372 1.00 0.00 H new ATOM 8 N SER A 2 -7.233 -6.081 -18.906 1.00 0.00 N ATOM 9 CA SER A 2 -6.985 -4.836 -18.187 1.00 0.00 C ATOM 10 C SER A 2 -5.673 -4.201 -18.636 1.00 0.00 C ATOM 11 O SER A 2 -4.898 -3.707 -17.817 1.00 0.00 O ATOM 12 CB SER A 2 -6.952 -5.092 -16.679 1.00 0.00 C ATOM 13 OG SER A 2 -8.261 -5.106 -16.136 1.00 0.00 O ATOM 0 H SER A 2 -8.170 -6.160 -19.302 1.00 0.00 H new ATOM 0 HA SER A 2 -7.798 -4.146 -18.414 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.462 -6.045 -16.479 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.360 -4.320 -16.189 1.00 0.00 H new ATOM 0 HG SER A 2 -8.213 -5.273 -15.172 1.00 0.00 H new ATOM 19 N SER A 3 -5.430 -4.219 -19.943 1.00 0.00 N ATOM 20 CA SER A 3 -4.210 -3.649 -20.502 1.00 0.00 C ATOM 21 C SER A 3 -4.517 -2.389 -21.305 1.00 0.00 C ATOM 22 O SER A 3 -4.658 -2.436 -22.526 1.00 0.00 O ATOM 23 CB SER A 3 -3.504 -4.675 -21.391 1.00 0.00 C ATOM 24 OG SER A 3 -2.118 -4.395 -21.490 1.00 0.00 O ATOM 0 H SER A 3 -6.062 -4.622 -20.634 1.00 0.00 H new ATOM 0 HA SER A 3 -3.552 -3.380 -19.676 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.648 -5.675 -20.983 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.951 -4.669 -22.385 1.00 0.00 H new ATOM 0 HG SER A 3 -1.689 -5.065 -22.062 1.00 0.00 H new ATOM 30 N GLY A 4 -4.621 -1.261 -20.608 1.00 0.00 N ATOM 31 CA GLY A 4 -4.911 -0.003 -21.271 1.00 0.00 C ATOM 32 C GLY A 4 -3.856 1.051 -21.002 1.00 0.00 C ATOM 33 O GLY A 4 -3.261 1.596 -21.932 1.00 0.00 O ATOM 0 H GLY A 4 -4.510 -1.196 -19.596 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.986 -0.171 -22.345 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.881 0.365 -20.937 1.00 0.00 H new ATOM 37 N SER A 5 -3.623 1.341 -19.726 1.00 0.00 N ATOM 38 CA SER A 5 -2.637 2.342 -19.337 1.00 0.00 C ATOM 39 C SER A 5 -2.872 3.654 -20.078 1.00 0.00 C ATOM 40 O SER A 5 -1.930 4.298 -20.539 1.00 0.00 O ATOM 41 CB SER A 5 -1.222 1.831 -19.619 1.00 0.00 C ATOM 42 OG SER A 5 -0.283 2.415 -18.734 1.00 0.00 O ATOM 0 H SER A 5 -4.104 0.897 -18.944 1.00 0.00 H new ATOM 0 HA SER A 5 -2.744 2.525 -18.268 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.197 0.746 -19.517 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.948 2.061 -20.649 1.00 0.00 H new ATOM 0 HG SER A 5 0.613 2.071 -18.934 1.00 0.00 H new ATOM 48 N SER A 6 -4.138 4.045 -20.189 1.00 0.00 N ATOM 49 CA SER A 6 -4.500 5.279 -20.877 1.00 0.00 C ATOM 50 C SER A 6 -3.849 6.485 -20.207 1.00 0.00 C ATOM 51 O SER A 6 -3.985 6.688 -19.001 1.00 0.00 O ATOM 52 CB SER A 6 -6.020 5.450 -20.897 1.00 0.00 C ATOM 53 OG SER A 6 -6.389 6.657 -21.541 1.00 0.00 O ATOM 0 H SER A 6 -4.930 3.525 -19.811 1.00 0.00 H new ATOM 0 HA SER A 6 -4.136 5.215 -21.902 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.477 4.605 -21.412 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.403 5.447 -19.876 1.00 0.00 H new ATOM 0 HG SER A 6 -7.365 6.742 -21.542 1.00 0.00 H new ATOM 59 N GLY A 7 -3.142 7.285 -21.000 1.00 0.00 N ATOM 60 CA GLY A 7 -2.481 8.462 -20.467 1.00 0.00 C ATOM 61 C GLY A 7 -1.438 8.117 -19.423 1.00 0.00 C ATOM 62 O GLY A 7 -0.280 7.856 -19.752 1.00 0.00 O ATOM 0 H GLY A 7 -3.015 7.139 -22.002 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.008 9.010 -21.282 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.226 9.125 -20.027 1.00 0.00 H new ATOM 66 N LYS A 8 -1.846 8.119 -18.158 1.00 0.00 N ATOM 67 CA LYS A 8 -0.939 7.805 -17.061 1.00 0.00 C ATOM 68 C LYS A 8 -1.697 7.193 -15.887 1.00 0.00 C ATOM 69 O LYS A 8 -2.890 7.441 -15.707 1.00 0.00 O ATOM 70 CB LYS A 8 -0.202 9.066 -16.604 1.00 0.00 C ATOM 71 CG LYS A 8 0.786 9.597 -17.628 1.00 0.00 C ATOM 72 CD LYS A 8 1.303 10.973 -17.243 1.00 0.00 C ATOM 73 CE LYS A 8 1.936 11.683 -18.430 1.00 0.00 C ATOM 74 NZ LYS A 8 0.914 12.151 -19.406 1.00 0.00 N ATOM 0 H LYS A 8 -2.800 8.335 -17.868 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.212 7.077 -17.421 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.933 9.843 -16.380 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.329 8.851 -15.677 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.623 8.905 -17.720 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.306 9.648 -18.605 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.482 11.575 -16.853 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.036 10.876 -16.442 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.517 12.535 -18.076 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.632 11.008 -18.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.349 12.825 -20.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.542 11.337 -19.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.136 12.618 -18.897 1.00 0.00 H new ATOM 88 N LYS A 9 -0.998 6.394 -15.088 1.00 0.00 N ATOM 89 CA LYS A 9 -1.603 5.749 -13.929 1.00 0.00 C ATOM 90 C LYS A 9 -0.569 5.521 -12.832 1.00 0.00 C ATOM 91 O LYS A 9 0.395 4.777 -13.016 1.00 0.00 O ATOM 92 CB LYS A 9 -2.235 4.415 -14.335 1.00 0.00 C ATOM 93 CG LYS A 9 -3.424 4.563 -15.267 1.00 0.00 C ATOM 94 CD LYS A 9 -4.652 5.069 -14.528 1.00 0.00 C ATOM 95 CE LYS A 9 -5.936 4.653 -15.230 1.00 0.00 C ATOM 96 NZ LYS A 9 -6.373 5.665 -16.232 1.00 0.00 N ATOM 0 H LYS A 9 -0.010 6.177 -15.222 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.379 6.409 -13.540 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.479 3.797 -14.820 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.552 3.885 -13.437 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.173 5.253 -16.072 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.647 3.601 -15.729 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.651 4.681 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.612 6.156 -14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.785 3.694 -15.725 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.724 4.510 -14.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.251 5.345 -16.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.542 6.574 -15.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.632 5.783 -16.952 1.00 0.00 H new ATOM 110 N THR A 10 -0.776 6.165 -11.687 1.00 0.00 N ATOM 111 CA THR A 10 0.138 6.033 -10.559 1.00 0.00 C ATOM 112 C THR A 10 0.238 4.583 -10.100 1.00 0.00 C ATOM 113 O THR A 10 -0.741 4.003 -9.630 1.00 0.00 O ATOM 114 CB THR A 10 -0.306 6.906 -9.371 1.00 0.00 C ATOM 115 OG1 THR A 10 -0.439 8.270 -9.788 1.00 0.00 O ATOM 116 CG2 THR A 10 0.695 6.815 -8.229 1.00 0.00 C ATOM 0 H THR A 10 -1.569 6.783 -11.517 1.00 0.00 H new ATOM 0 HA THR A 10 1.116 6.371 -10.903 1.00 0.00 H new ATOM 0 HB THR A 10 -1.270 6.539 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.723 8.818 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.360 7.440 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.772 5.780 -7.895 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.671 7.159 -8.572 1.00 0.00 H new ATOM 124 N GLU A 11 1.426 4.003 -10.238 1.00 0.00 N ATOM 125 CA GLU A 11 1.652 2.620 -9.837 1.00 0.00 C ATOM 126 C GLU A 11 2.734 2.534 -8.764 1.00 0.00 C ATOM 127 O GLU A 11 3.743 3.237 -8.828 1.00 0.00 O ATOM 128 CB GLU A 11 2.051 1.773 -11.047 1.00 0.00 C ATOM 129 CG GLU A 11 0.876 1.377 -11.927 1.00 0.00 C ATOM 130 CD GLU A 11 1.307 0.940 -13.313 1.00 0.00 C ATOM 131 OE1 GLU A 11 1.890 -0.158 -13.435 1.00 0.00 O ATOM 132 OE2 GLU A 11 1.061 1.696 -14.276 1.00 0.00 O ATOM 0 H GLU A 11 2.247 4.470 -10.624 1.00 0.00 H new ATOM 0 HA GLU A 11 0.721 2.233 -9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.772 2.328 -11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.554 0.871 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.326 0.566 -11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.191 2.220 -12.013 1.00 0.00 H new ATOM 139 N TRP A 12 2.515 1.670 -7.780 1.00 0.00 N ATOM 140 CA TRP A 12 3.471 1.493 -6.692 1.00 0.00 C ATOM 141 C TRP A 12 4.640 0.620 -7.132 1.00 0.00 C ATOM 142 O TRP A 12 4.650 0.093 -8.245 1.00 0.00 O ATOM 143 CB TRP A 12 2.782 0.869 -5.477 1.00 0.00 C ATOM 144 CG TRP A 12 1.721 1.745 -4.882 1.00 0.00 C ATOM 145 CD1 TRP A 12 0.587 2.192 -5.497 1.00 0.00 C ATOM 146 CD2 TRP A 12 1.696 2.280 -3.554 1.00 0.00 C ATOM 147 NE1 TRP A 12 -0.141 2.973 -4.632 1.00 0.00 N ATOM 148 CE2 TRP A 12 0.518 3.042 -3.433 1.00 0.00 C ATOM 149 CE3 TRP A 12 2.554 2.188 -2.455 1.00 0.00 C ATOM 150 CZ2 TRP A 12 0.179 3.707 -2.258 1.00 0.00 C ATOM 151 CZ3 TRP A 12 2.217 2.849 -1.289 1.00 0.00 C ATOM 152 CH2 TRP A 12 1.037 3.600 -1.198 1.00 0.00 C ATOM 0 H TRP A 12 1.685 1.081 -7.712 1.00 0.00 H new ATOM 0 HA TRP A 12 3.858 2.475 -6.418 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.337 -0.082 -5.769 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.531 0.650 -4.716 1.00 0.00 H new ATOM 0 HD1 TRP A 12 0.304 1.965 -6.514 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -1.028 3.428 -4.848 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.465 1.610 -2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.729 4.287 -2.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.874 2.786 -0.434 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.801 4.104 -0.273 1.00 0.00 H new ATOM 163 N SER A 13 5.625 0.470 -6.252 1.00 0.00 N ATOM 164 CA SER A 13 6.802 -0.337 -6.552 1.00 0.00 C ATOM 165 C SER A 13 7.092 -1.318 -5.420 1.00 0.00 C ATOM 166 O SER A 13 6.468 -1.261 -4.360 1.00 0.00 O ATOM 167 CB SER A 13 8.017 0.562 -6.787 1.00 0.00 C ATOM 168 OG SER A 13 9.090 -0.168 -7.357 1.00 0.00 O ATOM 0 H SER A 13 5.631 0.897 -5.326 1.00 0.00 H new ATOM 0 HA SER A 13 6.599 -0.906 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.742 1.385 -7.447 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.335 1.003 -5.842 1.00 0.00 H new ATOM 0 HG SER A 13 9.854 0.430 -7.499 1.00 0.00 H new ATOM 174 N ARG A 14 8.043 -2.216 -5.653 1.00 0.00 N ATOM 175 CA ARG A 14 8.415 -3.211 -4.653 1.00 0.00 C ATOM 176 C ARG A 14 8.962 -2.540 -3.397 1.00 0.00 C ATOM 177 O ARG A 14 8.951 -3.126 -2.315 1.00 0.00 O ATOM 178 CB ARG A 14 9.457 -4.174 -5.225 1.00 0.00 C ATOM 179 CG ARG A 14 9.792 -5.330 -4.297 1.00 0.00 C ATOM 180 CD ARG A 14 10.212 -6.566 -5.076 1.00 0.00 C ATOM 181 NE ARG A 14 11.158 -7.390 -4.327 1.00 0.00 N ATOM 182 CZ ARG A 14 11.378 -8.674 -4.583 1.00 0.00 C ATOM 183 NH1 ARG A 14 10.722 -9.280 -5.564 1.00 0.00 N ATOM 184 NH2 ARG A 14 12.254 -9.357 -3.858 1.00 0.00 N ATOM 0 H ARG A 14 8.570 -2.276 -6.524 1.00 0.00 H new ATOM 0 HA ARG A 14 7.520 -3.772 -4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.090 -4.573 -6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.369 -3.620 -5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.594 -5.035 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.925 -5.565 -3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.330 -7.158 -5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.664 -6.263 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 14 11.678 -6.955 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.047 -8.759 -6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.893 -10.267 -5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.760 -8.896 -3.102 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.421 -10.343 -4.056 1.00 0.00 H new ATOM 198 N GLU A 15 9.441 -1.310 -3.549 1.00 0.00 N ATOM 199 CA GLU A 15 9.994 -0.561 -2.427 1.00 0.00 C ATOM 200 C GLU A 15 8.891 0.166 -1.662 1.00 0.00 C ATOM 201 O GLU A 15 8.821 0.092 -0.436 1.00 0.00 O ATOM 202 CB GLU A 15 11.036 0.445 -2.920 1.00 0.00 C ATOM 203 CG GLU A 15 11.092 1.718 -2.092 1.00 0.00 C ATOM 204 CD GLU A 15 12.407 2.457 -2.247 1.00 0.00 C ATOM 205 OE1 GLU A 15 13.354 2.144 -1.496 1.00 0.00 O ATOM 206 OE2 GLU A 15 12.489 3.349 -3.117 1.00 0.00 O ATOM 0 H GLU A 15 9.457 -0.811 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 15 10.475 -1.269 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.018 -0.028 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.817 0.705 -3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.273 2.375 -2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.940 1.471 -1.041 1.00 0.00 H new ATOM 213 N GLU A 16 8.034 0.868 -2.396 1.00 0.00 N ATOM 214 CA GLU A 16 6.936 1.609 -1.786 1.00 0.00 C ATOM 215 C GLU A 16 6.093 0.699 -0.896 1.00 0.00 C ATOM 216 O GLU A 16 5.583 1.127 0.138 1.00 0.00 O ATOM 217 CB GLU A 16 6.055 2.240 -2.867 1.00 0.00 C ATOM 218 CG GLU A 16 6.743 3.353 -3.639 1.00 0.00 C ATOM 219 CD GLU A 16 7.561 4.265 -2.744 1.00 0.00 C ATOM 220 OE1 GLU A 16 8.654 3.845 -2.310 1.00 0.00 O ATOM 221 OE2 GLU A 16 7.107 5.397 -2.478 1.00 0.00 O ATOM 0 H GLU A 16 8.078 0.939 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 16 7.364 2.399 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.741 1.465 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.152 2.636 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.393 2.916 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.992 3.944 -4.164 1.00 0.00 H new ATOM 228 N GLU A 17 5.953 -0.557 -1.307 1.00 0.00 N ATOM 229 CA GLU A 17 5.172 -1.526 -0.548 1.00 0.00 C ATOM 230 C GLU A 17 5.829 -1.819 0.798 1.00 0.00 C ATOM 231 O GLU A 17 5.244 -1.571 1.852 1.00 0.00 O ATOM 232 CB GLU A 17 5.014 -2.823 -1.344 1.00 0.00 C ATOM 233 CG GLU A 17 4.215 -2.658 -2.626 1.00 0.00 C ATOM 234 CD GLU A 17 4.124 -3.942 -3.426 1.00 0.00 C ATOM 235 OE1 GLU A 17 3.845 -4.999 -2.823 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.331 -3.890 -4.657 1.00 0.00 O ATOM 0 H GLU A 17 6.370 -0.927 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 17 4.186 -1.098 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.002 -3.211 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.526 -3.568 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.210 -2.315 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.676 -1.884 -3.240 1.00 0.00 H new ATOM 243 N GLU A 18 7.047 -2.349 0.753 1.00 0.00 N ATOM 244 CA GLU A 18 7.783 -2.677 1.969 1.00 0.00 C ATOM 245 C GLU A 18 7.496 -1.659 3.069 1.00 0.00 C ATOM 246 O GLU A 18 7.036 -2.014 4.155 1.00 0.00 O ATOM 247 CB GLU A 18 9.285 -2.727 1.685 1.00 0.00 C ATOM 248 CG GLU A 18 9.695 -3.876 0.779 1.00 0.00 C ATOM 249 CD GLU A 18 11.151 -4.264 0.950 1.00 0.00 C ATOM 250 OE1 GLU A 18 11.586 -4.436 2.108 1.00 0.00 O ATOM 251 OE2 GLU A 18 11.856 -4.393 -0.072 1.00 0.00 O ATOM 0 H GLU A 18 7.545 -2.560 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 18 7.452 -3.658 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.591 -1.787 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.822 -2.811 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.066 -4.741 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.517 -3.596 -0.259 1.00 0.00 H new ATOM 258 N LYS A 19 7.771 -0.392 2.781 1.00 0.00 N ATOM 259 CA LYS A 19 7.543 0.679 3.744 1.00 0.00 C ATOM 260 C LYS A 19 6.065 0.781 4.105 1.00 0.00 C ATOM 261 O LYS A 19 5.713 1.100 5.241 1.00 0.00 O ATOM 262 CB LYS A 19 8.034 2.014 3.179 1.00 0.00 C ATOM 263 CG LYS A 19 6.961 2.793 2.440 1.00 0.00 C ATOM 264 CD LYS A 19 7.560 3.691 1.370 1.00 0.00 C ATOM 265 CE LYS A 19 8.277 4.885 1.982 1.00 0.00 C ATOM 266 NZ LYS A 19 8.989 5.692 0.953 1.00 0.00 N ATOM 0 H LYS A 19 8.152 -0.081 1.888 1.00 0.00 H new ATOM 0 HA LYS A 19 8.104 0.445 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.418 2.625 3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.867 1.828 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.257 2.099 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.396 3.398 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.260 3.118 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.771 4.041 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.555 5.515 2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.991 4.536 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.465 6.496 1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.696 5.098 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.304 6.046 0.255 1.00 0.00 H new ATOM 280 N LEU A 20 5.203 0.506 3.132 1.00 0.00 N ATOM 281 CA LEU A 20 3.761 0.565 3.347 1.00 0.00 C ATOM 282 C LEU A 20 3.330 -0.428 4.422 1.00 0.00 C ATOM 283 O LEU A 20 2.650 -0.064 5.382 1.00 0.00 O ATOM 284 CB LEU A 20 3.018 0.276 2.042 1.00 0.00 C ATOM 285 CG LEU A 20 1.504 0.483 2.072 1.00 0.00 C ATOM 286 CD1 LEU A 20 1.170 1.933 2.388 1.00 0.00 C ATOM 287 CD2 LEU A 20 0.883 0.068 0.746 1.00 0.00 C ATOM 0 H LEU A 20 5.478 0.240 2.186 1.00 0.00 H new ATOM 0 HA LEU A 20 3.510 1.570 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.436 0.911 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.218 -0.756 1.754 1.00 0.00 H new ATOM 0 HG LEU A 20 1.086 -0.145 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.088 2.062 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.582 2.197 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.600 2.580 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.195 0.222 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.307 0.670 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.092 -0.985 0.560 1.00 0.00 H new ATOM 299 N LEU A 21 3.732 -1.683 4.255 1.00 0.00 N ATOM 300 CA LEU A 21 3.390 -2.730 5.212 1.00 0.00 C ATOM 301 C LEU A 21 3.844 -2.352 6.618 1.00 0.00 C ATOM 302 O LEU A 21 3.181 -2.675 7.604 1.00 0.00 O ATOM 303 CB LEU A 21 4.028 -4.056 4.797 1.00 0.00 C ATOM 304 CG LEU A 21 3.442 -4.722 3.551 1.00 0.00 C ATOM 305 CD1 LEU A 21 2.340 -5.696 3.934 1.00 0.00 C ATOM 306 CD2 LEU A 21 2.916 -3.672 2.583 1.00 0.00 C ATOM 0 H LEU A 21 4.295 -2.001 3.466 1.00 0.00 H new ATOM 0 HA LEU A 21 2.306 -2.842 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.092 -3.887 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.944 -4.753 5.631 1.00 0.00 H new ATOM 0 HG LEU A 21 4.235 -5.281 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.935 -6.160 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.747 -6.467 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.546 -5.161 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.503 -4.164 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.137 -3.086 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.731 -3.014 2.282 1.00 0.00 H new ATOM 318 N HIS A 22 4.978 -1.663 6.703 1.00 0.00 N ATOM 319 CA HIS A 22 5.520 -1.238 7.989 1.00 0.00 C ATOM 320 C HIS A 22 4.666 -0.132 8.599 1.00 0.00 C ATOM 321 O HIS A 22 4.086 -0.301 9.673 1.00 0.00 O ATOM 322 CB HIS A 22 6.961 -0.755 7.824 1.00 0.00 C ATOM 323 CG HIS A 22 7.654 -0.482 9.123 1.00 0.00 C ATOM 324 ND1 HIS A 22 7.963 0.686 9.734 1.00 0.00 N flip ATOM 325 CD2 HIS A 22 8.117 -1.481 9.953 1.00 0.00 C flip ATOM 326 CE1 HIS A 22 8.600 0.375 10.910 1.00 0.00 C flip ATOM 327 NE2 HIS A 22 8.680 -0.939 11.019 1.00 0.00 N flip ATOM 0 H HIS A 22 5.539 -1.387 5.897 1.00 0.00 H new ATOM 0 HA HIS A 22 5.507 -2.095 8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 22 7.526 -1.506 7.271 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.964 0.154 7.222 1.00 0.00 H new ATOM 0 HD2 HIS A 22 8.033 -2.541 9.762 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.975 1.089 11.629 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.104 -1.449 11.794 1.00 0.00 H new ATOM 336 N LEU A 23 4.593 1.001 7.910 1.00 0.00 N ATOM 337 CA LEU A 23 3.810 2.137 8.384 1.00 0.00 C ATOM 338 C LEU A 23 2.373 1.721 8.682 1.00 0.00 C ATOM 339 O LEU A 23 1.863 1.956 9.777 1.00 0.00 O ATOM 340 CB LEU A 23 3.824 3.261 7.346 1.00 0.00 C ATOM 341 CG LEU A 23 4.997 4.238 7.430 1.00 0.00 C ATOM 342 CD1 LEU A 23 5.342 4.777 6.051 1.00 0.00 C ATOM 343 CD2 LEU A 23 4.674 5.378 8.385 1.00 0.00 C ATOM 0 H LEU A 23 5.067 1.158 7.020 1.00 0.00 H new ATOM 0 HA LEU A 23 4.263 2.499 9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.822 2.811 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.898 3.828 7.441 1.00 0.00 H new ATOM 0 HG LEU A 23 5.864 3.702 7.816 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.179 5.471 6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.617 3.951 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.478 5.297 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.520 6.064 8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.793 5.912 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.477 4.976 9.379 1.00 0.00 H new ATOM 355 N ALA A 24 1.727 1.101 7.700 1.00 0.00 N ATOM 356 CA ALA A 24 0.350 0.649 7.858 1.00 0.00 C ATOM 357 C ALA A 24 0.147 -0.029 9.209 1.00 0.00 C ATOM 358 O ALA A 24 -0.812 0.264 9.924 1.00 0.00 O ATOM 359 CB ALA A 24 -0.027 -0.297 6.728 1.00 0.00 C ATOM 0 H ALA A 24 2.135 0.900 6.787 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.301 1.522 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.058 -0.627 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.071 0.220 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.635 -1.162 6.742 1.00 0.00 H new ATOM 365 N LYS A 25 1.053 -0.937 9.552 1.00 0.00 N ATOM 366 CA LYS A 25 0.975 -1.657 10.818 1.00 0.00 C ATOM 367 C LYS A 25 1.233 -0.721 11.993 1.00 0.00 C ATOM 368 O LYS A 25 0.564 -0.803 13.025 1.00 0.00 O ATOM 369 CB LYS A 25 1.983 -2.808 10.837 1.00 0.00 C ATOM 370 CG LYS A 25 2.065 -3.522 12.175 1.00 0.00 C ATOM 371 CD LYS A 25 3.453 -4.091 12.419 1.00 0.00 C ATOM 372 CE LYS A 25 4.366 -3.069 13.078 1.00 0.00 C ATOM 373 NZ LYS A 25 5.727 -3.620 13.327 1.00 0.00 N ATOM 0 H LYS A 25 1.851 -1.193 8.971 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.032 -2.063 10.915 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.713 -3.529 10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.969 -2.421 10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.810 -2.828 12.975 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.330 -4.327 12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.379 -4.976 13.052 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.888 -4.412 11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.442 -2.187 12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.927 -2.745 14.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.319 -2.893 13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.657 -4.447 13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.156 -3.906 12.424 1.00 0.00 H new ATOM 387 N LEU A 26 2.205 0.170 11.832 1.00 0.00 N ATOM 388 CA LEU A 26 2.551 1.124 12.880 1.00 0.00 C ATOM 389 C LEU A 26 1.348 1.985 13.252 1.00 0.00 C ATOM 390 O LEU A 26 0.975 2.076 14.421 1.00 0.00 O ATOM 391 CB LEU A 26 3.708 2.015 12.424 1.00 0.00 C ATOM 392 CG LEU A 26 5.075 1.337 12.317 1.00 0.00 C ATOM 393 CD1 LEU A 26 5.925 2.016 11.254 1.00 0.00 C ATOM 394 CD2 LEU A 26 5.786 1.354 13.662 1.00 0.00 C ATOM 0 H LEU A 26 2.768 0.252 10.985 1.00 0.00 H new ATOM 0 HA LEU A 26 2.859 0.562 13.762 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.455 2.434 11.450 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.792 2.851 13.119 1.00 0.00 H new ATOM 0 HG LEU A 26 4.922 0.299 12.023 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.894 1.521 11.192 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.422 1.951 10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.070 3.064 11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.757 0.867 13.567 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.927 2.385 13.986 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.184 0.822 14.398 1.00 0.00 H new ATOM 406 N MET A 27 0.743 2.612 12.248 1.00 0.00 N ATOM 407 CA MET A 27 -0.421 3.463 12.470 1.00 0.00 C ATOM 408 C MET A 27 -1.504 3.182 11.434 1.00 0.00 C ATOM 409 O MET A 27 -1.604 3.853 10.406 1.00 0.00 O ATOM 410 CB MET A 27 -0.019 4.938 12.417 1.00 0.00 C ATOM 411 CG MET A 27 1.263 5.246 13.174 1.00 0.00 C ATOM 412 SD MET A 27 1.768 6.969 13.014 1.00 0.00 S ATOM 413 CE MET A 27 2.660 6.918 11.462 1.00 0.00 C ATOM 0 H MET A 27 1.039 2.547 11.274 1.00 0.00 H new ATOM 0 HA MET A 27 -0.821 3.239 13.459 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.103 5.236 11.376 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.828 5.542 12.828 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.123 5.009 14.229 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.061 4.602 12.806 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.036 7.913 11.225 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.497 6.225 11.546 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.991 6.585 10.669 1.00 0.00 H new ATOM 423 N PRO A 28 -2.337 2.166 11.707 1.00 0.00 N ATOM 424 CA PRO A 28 -3.428 1.774 10.810 1.00 0.00 C ATOM 425 C PRO A 28 -4.547 2.809 10.771 1.00 0.00 C ATOM 426 O PRO A 28 -5.487 2.695 9.984 1.00 0.00 O ATOM 427 CB PRO A 28 -3.934 0.463 11.419 1.00 0.00 C ATOM 428 CG PRO A 28 -3.564 0.548 12.860 1.00 0.00 C ATOM 429 CD PRO A 28 -2.277 1.323 12.913 1.00 0.00 C ATOM 0 HA PRO A 28 -3.092 1.679 9.777 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.011 0.357 11.292 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.471 -0.400 10.941 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.344 1.048 13.434 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.439 -0.446 13.290 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.206 1.923 13.820 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.410 0.663 12.899 1.00 0.00 H new ATOM 437 N THR A 29 -4.440 3.822 11.627 1.00 0.00 N ATOM 438 CA THR A 29 -5.443 4.877 11.690 1.00 0.00 C ATOM 439 C THR A 29 -4.806 6.252 11.520 1.00 0.00 C ATOM 440 O THR A 29 -5.324 7.251 12.018 1.00 0.00 O ATOM 441 CB THR A 29 -6.212 4.842 13.024 1.00 0.00 C ATOM 442 OG1 THR A 29 -5.296 4.931 14.121 1.00 0.00 O ATOM 443 CG2 THR A 29 -7.030 3.565 13.143 1.00 0.00 C ATOM 0 H THR A 29 -3.669 3.933 12.285 1.00 0.00 H new ATOM 0 HA THR A 29 -6.141 4.699 10.872 1.00 0.00 H new ATOM 0 HB THR A 29 -6.891 5.694 13.049 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.793 4.910 14.965 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.564 3.562 14.093 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.747 3.514 12.323 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.366 2.702 13.098 1.00 0.00 H new ATOM 451 N GLN A 30 -3.681 6.294 10.814 1.00 0.00 N ATOM 452 CA GLN A 30 -2.974 7.548 10.579 1.00 0.00 C ATOM 453 C GLN A 30 -2.544 7.665 9.121 1.00 0.00 C ATOM 454 O GLN A 30 -1.457 8.161 8.822 1.00 0.00 O ATOM 455 CB GLN A 30 -1.752 7.648 11.494 1.00 0.00 C ATOM 456 CG GLN A 30 -2.101 7.698 12.972 1.00 0.00 C ATOM 457 CD GLN A 30 -3.120 8.773 13.296 1.00 0.00 C ATOM 458 OE1 GLN A 30 -4.178 8.393 14.002 1.00 0.00 O flip ATOM 459 NE2 GLN A 30 -2.957 9.933 12.914 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.240 5.475 10.395 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.655 8.368 10.804 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.101 6.793 11.312 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.185 8.542 11.233 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.491 6.728 13.282 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.194 7.877 13.550 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.128 10.180 12.373 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.651 10.646 13.138 1.00 0.00 H new ATOM 468 N TRP A 31 -3.401 7.205 8.217 1.00 0.00 N ATOM 469 CA TRP A 31 -3.109 7.258 6.789 1.00 0.00 C ATOM 470 C TRP A 31 -2.707 8.667 6.368 1.00 0.00 C ATOM 471 O TRP A 31 -1.806 8.846 5.549 1.00 0.00 O ATOM 472 CB TRP A 31 -4.323 6.797 5.982 1.00 0.00 C ATOM 473 CG TRP A 31 -4.814 5.436 6.371 1.00 0.00 C ATOM 474 CD1 TRP A 31 -5.925 5.145 7.111 1.00 0.00 C ATOM 475 CD2 TRP A 31 -4.209 4.180 6.043 1.00 0.00 C ATOM 476 NE1 TRP A 31 -6.047 3.785 7.262 1.00 0.00 N ATOM 477 CE2 TRP A 31 -5.007 3.171 6.615 1.00 0.00 C ATOM 478 CE3 TRP A 31 -3.073 3.810 5.319 1.00 0.00 C ATOM 479 CZ2 TRP A 31 -4.703 1.818 6.486 1.00 0.00 C ATOM 480 CZ3 TRP A 31 -2.771 2.468 5.192 1.00 0.00 C ATOM 481 CH2 TRP A 31 -3.584 1.485 5.772 1.00 0.00 C ATOM 0 H TRP A 31 -4.304 6.791 8.447 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.273 6.587 6.589 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.131 7.517 6.111 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.066 6.793 4.923 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.607 5.877 7.518 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.791 3.310 7.773 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -2.442 4.560 4.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.328 1.059 6.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.894 2.171 4.636 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.322 0.444 5.653 1.00 0.00 H new ATOM 492 N ARG A 32 -3.381 9.663 6.933 1.00 0.00 N ATOM 493 CA ARG A 32 -3.094 11.057 6.614 1.00 0.00 C ATOM 494 C ARG A 32 -1.636 11.394 6.912 1.00 0.00 C ATOM 495 O ARG A 32 -1.094 12.369 6.391 1.00 0.00 O ATOM 496 CB ARG A 32 -4.016 11.984 7.408 1.00 0.00 C ATOM 497 CG ARG A 32 -4.331 13.288 6.693 1.00 0.00 C ATOM 498 CD ARG A 32 -5.663 13.865 7.149 1.00 0.00 C ATOM 499 NE ARG A 32 -5.612 14.331 8.532 1.00 0.00 N ATOM 500 CZ ARG A 32 -6.439 15.244 9.031 1.00 0.00 C ATOM 501 NH1 ARG A 32 -7.375 15.785 8.263 1.00 0.00 N ATOM 502 NH2 ARG A 32 -6.330 15.616 10.300 1.00 0.00 N ATOM 0 H ARG A 32 -4.129 9.531 7.614 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.272 11.204 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.949 11.461 7.619 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.552 12.209 8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.536 14.010 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.356 13.117 5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.942 14.693 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.440 13.107 7.050 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.903 13.934 9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.461 15.501 7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.009 16.485 8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.611 15.201 10.893 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.965 16.317 10.682 1.00 0.00 H new ATOM 516 N THR A 33 -1.006 10.580 7.753 1.00 0.00 N ATOM 517 CA THR A 33 0.388 10.792 8.122 1.00 0.00 C ATOM 518 C THR A 33 1.317 9.918 7.287 1.00 0.00 C ATOM 519 O THR A 33 2.423 10.330 6.937 1.00 0.00 O ATOM 520 CB THR A 33 0.626 10.494 9.615 1.00 0.00 C ATOM 521 OG1 THR A 33 -0.228 11.315 10.420 1.00 0.00 O ATOM 522 CG2 THR A 33 2.079 10.742 9.991 1.00 0.00 C ATOM 0 H THR A 33 -1.439 9.767 8.192 1.00 0.00 H new ATOM 0 HA THR A 33 0.610 11.842 7.929 1.00 0.00 H new ATOM 0 HB THR A 33 0.395 9.444 9.795 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.072 11.119 11.367 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.223 10.525 11.049 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.724 10.095 9.397 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.332 11.784 9.797 1.00 0.00 H new ATOM 530 N ILE A 34 0.860 8.711 6.971 1.00 0.00 N ATOM 531 CA ILE A 34 1.650 7.780 6.175 1.00 0.00 C ATOM 532 C ILE A 34 1.697 8.210 4.712 1.00 0.00 C ATOM 533 O ILE A 34 2.592 7.812 3.966 1.00 0.00 O ATOM 534 CB ILE A 34 1.088 6.349 6.259 1.00 0.00 C ATOM 535 CG1 ILE A 34 1.128 5.847 7.704 1.00 0.00 C ATOM 536 CG2 ILE A 34 1.872 5.417 5.347 1.00 0.00 C ATOM 537 CD1 ILE A 34 0.394 4.540 7.910 1.00 0.00 C ATOM 0 H ILE A 34 -0.053 8.355 7.254 1.00 0.00 H new ATOM 0 HA ILE A 34 2.659 7.790 6.588 1.00 0.00 H new ATOM 0 HB ILE A 34 0.050 6.362 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.167 5.723 8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.694 6.605 8.356 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.463 4.409 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.797 5.768 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.919 5.406 5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.464 4.245 8.957 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.654 4.664 7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.843 3.768 7.285 1.00 0.00 H new ATOM 549 N ALA A 35 0.729 9.027 4.310 1.00 0.00 N ATOM 550 CA ALA A 35 0.663 9.515 2.938 1.00 0.00 C ATOM 551 C ALA A 35 1.905 10.325 2.582 1.00 0.00 C ATOM 552 O ALA A 35 2.625 10.017 1.632 1.00 0.00 O ATOM 553 CB ALA A 35 -0.592 10.351 2.736 1.00 0.00 C ATOM 0 H ALA A 35 -0.020 9.365 4.915 1.00 0.00 H new ATOM 0 HA ALA A 35 0.623 8.652 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.629 10.709 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.472 9.741 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.575 11.203 3.416 1.00 0.00 H new ATOM 559 N PRO A 36 2.163 11.386 3.361 1.00 0.00 N ATOM 560 CA PRO A 36 3.318 12.263 3.146 1.00 0.00 C ATOM 561 C PRO A 36 4.637 11.574 3.479 1.00 0.00 C ATOM 562 O PRO A 36 5.711 12.068 3.131 1.00 0.00 O ATOM 563 CB PRO A 36 3.064 13.426 4.109 1.00 0.00 C ATOM 564 CG PRO A 36 2.204 12.850 5.180 1.00 0.00 C ATOM 565 CD PRO A 36 1.347 11.812 4.510 1.00 0.00 C ATOM 0 HA PRO A 36 3.411 12.568 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.998 13.814 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.567 14.255 3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.810 12.405 5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.590 13.622 5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.128 10.979 5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.390 12.225 4.192 1.00 0.00 H new ATOM 573 N ILE A 37 4.550 10.433 4.153 1.00 0.00 N ATOM 574 CA ILE A 37 5.738 9.677 4.531 1.00 0.00 C ATOM 575 C ILE A 37 6.152 8.714 3.423 1.00 0.00 C ATOM 576 O ILE A 37 7.318 8.330 3.324 1.00 0.00 O ATOM 577 CB ILE A 37 5.509 8.880 5.829 1.00 0.00 C ATOM 578 CG1 ILE A 37 5.315 9.832 7.010 1.00 0.00 C ATOM 579 CG2 ILE A 37 6.677 7.939 6.085 1.00 0.00 C ATOM 580 CD1 ILE A 37 4.812 9.148 8.262 1.00 0.00 C ATOM 0 H ILE A 37 3.670 10.011 4.449 1.00 0.00 H new ATOM 0 HA ILE A 37 6.535 10.403 4.696 1.00 0.00 H new ATOM 0 HB ILE A 37 4.604 8.282 5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.263 10.323 7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.610 10.613 6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.501 7.383 7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.772 7.242 5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.596 8.517 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.698 9.884 9.058 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.848 8.681 8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.527 8.386 8.572 1.00 0.00 H new ATOM 592 N ILE A 38 5.190 8.329 2.591 1.00 0.00 N ATOM 593 CA ILE A 38 5.456 7.414 1.488 1.00 0.00 C ATOM 594 C ILE A 38 5.519 8.158 0.159 1.00 0.00 C ATOM 595 O ILE A 38 6.355 7.859 -0.693 1.00 0.00 O ATOM 596 CB ILE A 38 4.380 6.315 1.397 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.452 5.398 2.619 1.00 0.00 C ATOM 598 CG2 ILE A 38 4.549 5.513 0.115 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.667 4.115 2.459 1.00 0.00 C ATOM 0 H ILE A 38 4.220 8.636 2.660 1.00 0.00 H new ATOM 0 HA ILE A 38 6.422 6.951 1.688 1.00 0.00 H new ATOM 0 HB ILE A 38 3.398 6.789 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.495 5.154 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.079 5.937 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.782 4.741 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.452 6.176 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.534 5.047 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.763 3.514 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.616 4.350 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.055 3.555 1.608 1.00 0.00 H new ATOM 611 N GLY A 39 4.631 9.133 -0.011 1.00 0.00 N ATOM 612 CA GLY A 39 4.604 9.907 -1.238 1.00 0.00 C ATOM 613 C GLY A 39 3.215 9.995 -1.838 1.00 0.00 C ATOM 614 O GLY A 39 2.875 10.981 -2.493 1.00 0.00 O ATOM 0 H GLY A 39 3.930 9.401 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.974 10.912 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.282 9.456 -1.963 1.00 0.00 H new ATOM 618 N ARG A 40 2.410 8.961 -1.617 1.00 0.00 N ATOM 619 CA ARG A 40 1.051 8.924 -2.143 1.00 0.00 C ATOM 620 C ARG A 40 0.064 9.520 -1.143 1.00 0.00 C ATOM 621 O ARG A 40 0.456 10.005 -0.081 1.00 0.00 O ATOM 622 CB ARG A 40 0.649 7.486 -2.477 1.00 0.00 C ATOM 623 CG ARG A 40 1.325 6.939 -3.724 1.00 0.00 C ATOM 624 CD ARG A 40 2.670 6.307 -3.396 1.00 0.00 C ATOM 625 NE ARG A 40 3.762 7.273 -3.476 1.00 0.00 N ATOM 626 CZ ARG A 40 4.387 7.584 -4.606 1.00 0.00 C ATOM 627 NH1 ARG A 40 4.030 7.008 -5.745 1.00 0.00 N ATOM 628 NH2 ARG A 40 5.372 8.473 -4.598 1.00 0.00 N ATOM 0 H ARG A 40 2.676 8.137 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 40 1.025 9.522 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.892 6.844 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.432 7.441 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.679 6.198 -4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.466 7.744 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.636 5.881 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.862 5.485 -4.085 1.00 0.00 H new ATOM 0 HE ARG A 40 4.061 7.734 -2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.273 6.324 -5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.512 7.249 -6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.650 8.918 -3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.851 8.711 -5.466 1.00 0.00 H new ATOM 642 N THR A 41 -1.219 9.481 -1.490 1.00 0.00 N ATOM 643 CA THR A 41 -2.261 10.018 -0.625 1.00 0.00 C ATOM 644 C THR A 41 -2.800 8.946 0.316 1.00 0.00 C ATOM 645 O THR A 41 -2.677 7.752 0.048 1.00 0.00 O ATOM 646 CB THR A 41 -3.428 10.599 -1.445 1.00 0.00 C ATOM 647 OG1 THR A 41 -3.888 9.632 -2.396 1.00 0.00 O ATOM 648 CG2 THR A 41 -3.001 11.867 -2.169 1.00 0.00 C ATOM 0 H THR A 41 -1.561 9.083 -2.365 1.00 0.00 H new ATOM 0 HA THR A 41 -1.806 10.817 -0.039 1.00 0.00 H new ATOM 0 HB THR A 41 -4.238 10.846 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.631 10.009 -2.912 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.841 12.260 -2.742 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.679 12.611 -1.440 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.176 11.640 -2.844 1.00 0.00 H new ATOM 656 N ALA A 42 -3.400 9.382 1.420 1.00 0.00 N ATOM 657 CA ALA A 42 -3.960 8.460 2.399 1.00 0.00 C ATOM 658 C ALA A 42 -4.819 7.396 1.723 1.00 0.00 C ATOM 659 O ALA A 42 -4.619 6.200 1.930 1.00 0.00 O ATOM 660 CB ALA A 42 -4.777 9.221 3.433 1.00 0.00 C ATOM 0 H ALA A 42 -3.510 10.368 1.658 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.134 7.957 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.190 8.520 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.137 9.939 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.590 9.750 2.936 1.00 0.00 H new ATOM 666 N ALA A 43 -5.776 7.840 0.915 1.00 0.00 N ATOM 667 CA ALA A 43 -6.664 6.926 0.207 1.00 0.00 C ATOM 668 C ALA A 43 -5.870 5.902 -0.596 1.00 0.00 C ATOM 669 O ALA A 43 -6.173 4.709 -0.569 1.00 0.00 O ATOM 670 CB ALA A 43 -7.603 7.702 -0.704 1.00 0.00 C ATOM 0 H ALA A 43 -5.956 8.828 0.734 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.257 6.388 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.260 7.007 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.203 8.390 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.020 8.266 -1.432 1.00 0.00 H new ATOM 676 N GLN A 44 -4.854 6.376 -1.311 1.00 0.00 N ATOM 677 CA GLN A 44 -4.019 5.500 -2.124 1.00 0.00 C ATOM 678 C GLN A 44 -3.305 4.469 -1.255 1.00 0.00 C ATOM 679 O GLN A 44 -3.370 3.268 -1.520 1.00 0.00 O ATOM 680 CB GLN A 44 -2.994 6.321 -2.908 1.00 0.00 C ATOM 681 CG GLN A 44 -3.573 7.004 -4.137 1.00 0.00 C ATOM 682 CD GLN A 44 -2.504 7.457 -5.111 1.00 0.00 C ATOM 683 OE1 GLN A 44 -2.230 6.787 -6.106 1.00 0.00 O ATOM 684 NE2 GLN A 44 -1.893 8.602 -4.829 1.00 0.00 N ATOM 0 H GLN A 44 -4.590 7.361 -1.343 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.665 4.972 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.567 7.077 -2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.177 5.668 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.253 6.318 -4.643 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.163 7.866 -3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.152 9.126 -3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.165 8.958 -5.449 1.00 0.00 H new ATOM 693 N CYS A 45 -2.623 4.946 -0.220 1.00 0.00 N ATOM 694 CA CYS A 45 -1.896 4.065 0.687 1.00 0.00 C ATOM 695 C CYS A 45 -2.801 2.955 1.210 1.00 0.00 C ATOM 696 O CYS A 45 -2.418 1.784 1.227 1.00 0.00 O ATOM 697 CB CYS A 45 -1.323 4.866 1.858 1.00 0.00 C ATOM 698 SG CYS A 45 -0.052 6.061 1.383 1.00 0.00 S ATOM 0 H CYS A 45 -2.558 5.937 0.012 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.077 3.609 0.131 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.136 5.395 2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.901 4.173 2.586 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.604 7.051 0.746 1.00 0.00 H new ATOM 704 N LEU A 46 -4.002 3.329 1.637 1.00 0.00 N ATOM 705 CA LEU A 46 -4.962 2.365 2.162 1.00 0.00 C ATOM 706 C LEU A 46 -5.390 1.378 1.080 1.00 0.00 C ATOM 707 O LEU A 46 -5.339 0.165 1.279 1.00 0.00 O ATOM 708 CB LEU A 46 -6.188 3.089 2.721 1.00 0.00 C ATOM 709 CG LEU A 46 -7.401 2.212 3.034 1.00 0.00 C ATOM 710 CD1 LEU A 46 -7.053 1.179 4.095 1.00 0.00 C ATOM 711 CD2 LEU A 46 -8.575 3.067 3.486 1.00 0.00 C ATOM 0 H LEU A 46 -4.334 4.293 1.630 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.479 1.809 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.894 3.607 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.492 3.853 2.005 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.689 1.686 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.928 0.564 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.243 0.546 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.739 1.686 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.429 2.426 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.298 3.620 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.840 3.768 2.695 1.00 0.00 H new ATOM 723 N GLU A 47 -5.809 1.908 -0.065 1.00 0.00 N ATOM 724 CA GLU A 47 -6.244 1.073 -1.178 1.00 0.00 C ATOM 725 C GLU A 47 -5.159 0.071 -1.563 1.00 0.00 C ATOM 726 O GLU A 47 -5.404 -1.134 -1.623 1.00 0.00 O ATOM 727 CB GLU A 47 -6.603 1.941 -2.386 1.00 0.00 C ATOM 728 CG GLU A 47 -7.478 1.232 -3.406 1.00 0.00 C ATOM 729 CD GLU A 47 -7.954 2.157 -4.509 1.00 0.00 C ATOM 730 OE1 GLU A 47 -8.867 2.969 -4.249 1.00 0.00 O ATOM 731 OE2 GLU A 47 -7.415 2.070 -5.632 1.00 0.00 O ATOM 0 H GLU A 47 -5.856 2.911 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.129 0.521 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.117 2.837 -2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.685 2.269 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.920 0.405 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.342 0.800 -2.901 1.00 0.00 H new ATOM 738 N HIS A 48 -3.959 0.579 -1.824 1.00 0.00 N ATOM 739 CA HIS A 48 -2.835 -0.271 -2.203 1.00 0.00 C ATOM 740 C HIS A 48 -2.511 -1.269 -1.096 1.00 0.00 C ATOM 741 O HIS A 48 -2.440 -2.475 -1.335 1.00 0.00 O ATOM 742 CB HIS A 48 -1.605 0.582 -2.513 1.00 0.00 C ATOM 743 CG HIS A 48 -0.530 -0.160 -3.245 1.00 0.00 C ATOM 744 ND1 HIS A 48 -0.724 -0.741 -4.481 1.00 0.00 N ATOM 745 CD2 HIS A 48 0.757 -0.413 -2.910 1.00 0.00 C ATOM 746 CE1 HIS A 48 0.396 -1.321 -4.873 1.00 0.00 C ATOM 747 NE2 HIS A 48 1.311 -1.136 -3.938 1.00 0.00 N ATOM 0 H HIS A 48 -3.739 1.574 -1.780 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.117 -0.827 -3.097 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.911 1.443 -3.108 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.197 0.969 -1.579 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.596 -0.725 -5.010 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.255 -0.104 -2.003 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.540 -1.856 -5.800 1.00 0.00 H new ATOM 756 N TYR A 49 -2.313 -0.759 0.114 1.00 0.00 N ATOM 757 CA TYR A 49 -1.993 -1.605 1.258 1.00 0.00 C ATOM 758 C TYR A 49 -2.927 -2.810 1.322 1.00 0.00 C ATOM 759 O TYR A 49 -2.507 -3.946 1.104 1.00 0.00 O ATOM 760 CB TYR A 49 -2.089 -0.802 2.556 1.00 0.00 C ATOM 761 CG TYR A 49 -2.067 -1.660 3.801 1.00 0.00 C ATOM 762 CD1 TYR A 49 -0.957 -2.436 4.114 1.00 0.00 C ATOM 763 CD2 TYR A 49 -3.155 -1.695 4.664 1.00 0.00 C ATOM 764 CE1 TYR A 49 -0.933 -3.221 5.251 1.00 0.00 C ATOM 765 CE2 TYR A 49 -3.139 -2.476 5.803 1.00 0.00 C ATOM 766 CZ TYR A 49 -2.026 -3.237 6.092 1.00 0.00 C ATOM 767 OH TYR A 49 -2.006 -4.018 7.225 1.00 0.00 O ATOM 0 H TYR A 49 -2.368 0.237 0.328 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.971 -1.965 1.137 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.261 -0.094 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.008 -0.217 2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.099 -2.425 3.458 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.029 -1.101 4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.063 -3.819 5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.993 -2.491 6.464 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.852 -3.915 7.708 1.00 0.00 H new ATOM 777 N GLU A 50 -4.196 -2.552 1.622 1.00 0.00 N ATOM 778 CA GLU A 50 -5.189 -3.615 1.715 1.00 0.00 C ATOM 779 C GLU A 50 -5.061 -4.584 0.543 1.00 0.00 C ATOM 780 O GLU A 50 -5.032 -5.801 0.728 1.00 0.00 O ATOM 781 CB GLU A 50 -6.600 -3.024 1.750 1.00 0.00 C ATOM 782 CG GLU A 50 -6.928 -2.308 3.050 1.00 0.00 C ATOM 783 CD GLU A 50 -7.507 -3.239 4.097 1.00 0.00 C ATOM 784 OE1 GLU A 50 -8.745 -3.400 4.127 1.00 0.00 O ATOM 785 OE2 GLU A 50 -6.723 -3.805 4.887 1.00 0.00 O ATOM 0 H GLU A 50 -4.560 -1.617 1.805 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.010 -4.164 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.713 -2.325 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.324 -3.824 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.024 -1.843 3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.638 -1.506 2.850 1.00 0.00 H new ATOM 792 N PHE A 51 -4.986 -4.035 -0.665 1.00 0.00 N ATOM 793 CA PHE A 51 -4.863 -4.849 -1.869 1.00 0.00 C ATOM 794 C PHE A 51 -3.732 -5.864 -1.726 1.00 0.00 C ATOM 795 O PHE A 51 -3.858 -7.015 -2.146 1.00 0.00 O ATOM 796 CB PHE A 51 -4.613 -3.960 -3.089 1.00 0.00 C ATOM 797 CG PHE A 51 -4.095 -4.711 -4.282 1.00 0.00 C ATOM 798 CD1 PHE A 51 -4.893 -5.635 -4.936 1.00 0.00 C ATOM 799 CD2 PHE A 51 -2.809 -4.492 -4.749 1.00 0.00 C ATOM 800 CE1 PHE A 51 -4.419 -6.327 -6.034 1.00 0.00 C ATOM 801 CE2 PHE A 51 -2.330 -5.181 -5.847 1.00 0.00 C ATOM 802 CZ PHE A 51 -3.135 -6.100 -6.490 1.00 0.00 C ATOM 0 H PHE A 51 -5.008 -3.030 -0.836 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.799 -5.390 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.542 -3.459 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.898 -3.182 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.898 -5.817 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.174 -3.775 -4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.052 -7.045 -6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.326 -5.001 -6.202 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.762 -6.640 -7.347 1.00 0.00 H new ATOM 812 N LEU A 52 -2.627 -5.429 -1.129 1.00 0.00 N ATOM 813 CA LEU A 52 -1.473 -6.298 -0.930 1.00 0.00 C ATOM 814 C LEU A 52 -1.838 -7.500 -0.064 1.00 0.00 C ATOM 815 O LEU A 52 -1.468 -8.634 -0.369 1.00 0.00 O ATOM 816 CB LEU A 52 -0.328 -5.518 -0.282 1.00 0.00 C ATOM 817 CG LEU A 52 0.251 -4.367 -1.106 1.00 0.00 C ATOM 818 CD1 LEU A 52 1.297 -3.609 -0.303 1.00 0.00 C ATOM 819 CD2 LEU A 52 0.847 -4.888 -2.405 1.00 0.00 C ATOM 0 H LEU A 52 -2.507 -4.480 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.151 -6.661 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.680 -5.117 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.477 -6.216 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.558 -3.679 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.698 -2.794 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.839 -3.203 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.105 -4.287 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.254 -4.055 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.643 -5.598 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.071 -5.385 -2.988 1.00 0.00 H new ATOM 831 N LEU A 53 -2.569 -7.244 1.015 1.00 0.00 N ATOM 832 CA LEU A 53 -2.988 -8.305 1.925 1.00 0.00 C ATOM 833 C LEU A 53 -3.708 -9.417 1.170 1.00 0.00 C ATOM 834 O LEU A 53 -3.368 -10.592 1.303 1.00 0.00 O ATOM 835 CB LEU A 53 -3.899 -7.739 3.015 1.00 0.00 C ATOM 836 CG LEU A 53 -3.212 -6.917 4.106 1.00 0.00 C ATOM 837 CD1 LEU A 53 -2.257 -7.788 4.907 1.00 0.00 C ATOM 838 CD2 LEU A 53 -2.474 -5.734 3.497 1.00 0.00 C ATOM 0 H LEU A 53 -2.884 -6.311 1.281 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.096 -8.725 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.655 -7.114 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.423 -8.569 3.489 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.976 -6.534 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.777 -7.187 5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.812 -8.602 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.497 -8.200 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.991 -5.160 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.719 -6.096 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.182 -5.097 2.967 1.00 0.00 H new ATOM 850 N ASP A 54 -4.703 -9.037 0.376 1.00 0.00 N ATOM 851 CA ASP A 54 -5.470 -10.001 -0.404 1.00 0.00 C ATOM 852 C ASP A 54 -4.615 -10.607 -1.513 1.00 0.00 C ATOM 853 O ASP A 54 -4.675 -11.809 -1.772 1.00 0.00 O ATOM 854 CB ASP A 54 -6.708 -9.334 -1.005 1.00 0.00 C ATOM 855 CG ASP A 54 -7.853 -10.309 -1.202 1.00 0.00 C ATOM 856 OD1 ASP A 54 -7.963 -11.263 -0.404 1.00 0.00 O ATOM 857 OD2 ASP A 54 -8.639 -10.118 -2.154 1.00 0.00 O ATOM 0 H ASP A 54 -4.997 -8.068 0.256 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.787 -10.801 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.033 -8.523 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.447 -8.886 -1.964 1.00 0.00 H new ATOM 862 N LYS A 55 -3.820 -9.766 -2.165 1.00 0.00 N ATOM 863 CA LYS A 55 -2.951 -10.217 -3.246 1.00 0.00 C ATOM 864 C LYS A 55 -2.005 -11.312 -2.764 1.00 0.00 C ATOM 865 O LYS A 55 -1.662 -12.224 -3.515 1.00 0.00 O ATOM 866 CB LYS A 55 -2.145 -9.042 -3.804 1.00 0.00 C ATOM 867 CG LYS A 55 -1.115 -9.449 -4.844 1.00 0.00 C ATOM 868 CD LYS A 55 -0.174 -8.303 -5.176 1.00 0.00 C ATOM 869 CE LYS A 55 0.714 -8.638 -6.365 1.00 0.00 C ATOM 870 NZ LYS A 55 -0.058 -8.685 -7.637 1.00 0.00 N ATOM 0 H LYS A 55 -3.759 -8.768 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.580 -10.627 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.831 -8.320 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.638 -8.537 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.540 -10.298 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.623 -9.778 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.754 -7.406 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.447 -8.078 -4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.506 -7.894 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.197 -9.601 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.600 -8.679 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.630 -9.553 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.684 -7.856 -7.694 1.00 0.00 H new ATOM 884 N ALA A 56 -1.589 -11.216 -1.505 1.00 0.00 N ATOM 885 CA ALA A 56 -0.686 -12.201 -0.922 1.00 0.00 C ATOM 886 C ALA A 56 -1.417 -13.504 -0.620 1.00 0.00 C ATOM 887 O ALA A 56 -0.821 -14.581 -0.642 1.00 0.00 O ATOM 888 CB ALA A 56 -0.047 -11.647 0.342 1.00 0.00 C ATOM 0 H ALA A 56 -1.863 -10.466 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 56 0.098 -12.415 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.625 -12.393 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.517 -10.746 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.824 -11.404 1.066 1.00 0.00 H new ATOM 894 N ALA A 57 -2.712 -13.400 -0.338 1.00 0.00 N ATOM 895 CA ALA A 57 -3.524 -14.572 -0.033 1.00 0.00 C ATOM 896 C ALA A 57 -3.938 -15.300 -1.307 1.00 0.00 C ATOM 897 O ALA A 57 -3.788 -16.517 -1.413 1.00 0.00 O ATOM 898 CB ALA A 57 -4.752 -14.168 0.770 1.00 0.00 C ATOM 0 H ALA A 57 -3.221 -12.516 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.921 -15.256 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.349 -15.053 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.439 -13.699 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.349 -13.462 0.192 1.00 0.00 H new ATOM 904 N GLN A 58 -4.460 -14.547 -2.270 1.00 0.00 N ATOM 905 CA GLN A 58 -4.897 -15.123 -3.536 1.00 0.00 C ATOM 906 C GLN A 58 -3.723 -15.745 -4.285 1.00 0.00 C ATOM 907 O GLN A 58 -3.805 -16.881 -4.754 1.00 0.00 O ATOM 908 CB GLN A 58 -5.561 -14.053 -4.405 1.00 0.00 C ATOM 909 CG GLN A 58 -4.631 -12.911 -4.781 1.00 0.00 C ATOM 910 CD GLN A 58 -5.366 -11.740 -5.403 1.00 0.00 C ATOM 911 OE1 GLN A 58 -5.968 -10.905 -4.564 1.00 0.00 O flip ATOM 912 NE2 GLN A 58 -5.394 -11.588 -6.625 1.00 0.00 N flip ATOM 0 H GLN A 58 -4.590 -13.538 -2.198 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.622 -15.907 -3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.938 -14.519 -5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.423 -13.649 -3.874 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.101 -12.571 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.879 -13.276 -5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.917 -12.254 -7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.894 -10.796 -7.029 1.00 0.00 H new ATOM 921 N ARG A 59 -2.632 -14.995 -4.394 1.00 0.00 N ATOM 922 CA ARG A 59 -1.442 -15.473 -5.088 1.00 0.00 C ATOM 923 C ARG A 59 -1.038 -16.855 -4.584 1.00 0.00 C ATOM 924 O ARG A 59 -1.595 -17.358 -3.608 1.00 0.00 O ATOM 925 CB ARG A 59 -0.285 -14.490 -4.897 1.00 0.00 C ATOM 926 CG ARG A 59 0.383 -14.593 -3.536 1.00 0.00 C ATOM 927 CD ARG A 59 1.760 -13.948 -3.541 1.00 0.00 C ATOM 928 NE ARG A 59 2.193 -13.571 -2.198 1.00 0.00 N ATOM 929 CZ ARG A 59 3.148 -12.679 -1.957 1.00 0.00 C ATOM 930 NH1 ARG A 59 3.765 -12.076 -2.963 1.00 0.00 N ATOM 931 NH2 ARG A 59 3.486 -12.389 -0.707 1.00 0.00 N ATOM 0 H ARG A 59 -2.547 -14.054 -4.011 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.676 -15.546 -6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.461 -14.665 -5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.656 -13.474 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.243 -14.111 -2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.472 -15.641 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.483 -14.640 -3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.744 -13.064 -4.178 1.00 0.00 H new ATOM 0 HE ARG A 59 1.737 -14.017 -1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.507 -12.296 -3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.498 -11.392 -2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.013 -12.851 0.070 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.219 -11.704 -0.523 1.00 0.00 H new ATOM 945 N ASP A 60 -0.066 -17.463 -5.256 1.00 0.00 N ATOM 946 CA ASP A 60 0.414 -18.786 -4.876 1.00 0.00 C ATOM 947 C ASP A 60 -0.686 -19.831 -5.042 1.00 0.00 C ATOM 948 O ASP A 60 -0.855 -20.708 -4.195 1.00 0.00 O ATOM 949 CB ASP A 60 0.911 -18.777 -3.430 1.00 0.00 C ATOM 950 CG ASP A 60 1.806 -19.960 -3.117 1.00 0.00 C ATOM 951 OD1 ASP A 60 1.269 -21.058 -2.862 1.00 0.00 O ATOM 952 OD2 ASP A 60 3.043 -19.788 -3.127 1.00 0.00 O ATOM 0 H ASP A 60 0.405 -17.060 -6.066 1.00 0.00 H new ATOM 0 HA ASP A 60 1.242 -19.047 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.457 -17.853 -3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.055 -18.784 -2.755 1.00 0.00 H new ATOM 957 N SER A 61 -1.431 -19.730 -6.138 1.00 0.00 N ATOM 958 CA SER A 61 -2.517 -20.663 -6.413 1.00 0.00 C ATOM 959 C SER A 61 -2.568 -21.016 -7.896 1.00 0.00 C ATOM 960 O SER A 61 -2.093 -20.259 -8.743 1.00 0.00 O ATOM 961 CB SER A 61 -3.855 -20.064 -5.973 1.00 0.00 C ATOM 962 OG SER A 61 -4.086 -20.290 -4.594 1.00 0.00 O ATOM 0 H SER A 61 -1.302 -19.011 -6.850 1.00 0.00 H new ATOM 0 HA SER A 61 -2.331 -21.576 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.862 -18.993 -6.175 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.663 -20.504 -6.557 1.00 0.00 H new ATOM 0 HG SER A 61 -4.946 -19.896 -4.338 1.00 0.00 H new ATOM 968 N GLY A 62 -3.148 -22.172 -8.204 1.00 0.00 N ATOM 969 CA GLY A 62 -3.251 -22.606 -9.585 1.00 0.00 C ATOM 970 C GLY A 62 -3.883 -23.978 -9.715 1.00 0.00 C ATOM 971 O GLY A 62 -4.174 -24.648 -8.724 1.00 0.00 O ATOM 0 H GLY A 62 -3.548 -22.816 -7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.841 -21.882 -10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.257 -22.623 -10.033 1.00 0.00 H new ATOM 975 N PRO A 63 -4.108 -24.413 -10.964 1.00 0.00 N ATOM 976 CA PRO A 63 -4.714 -25.717 -11.250 1.00 0.00 C ATOM 977 C PRO A 63 -3.784 -26.876 -10.908 1.00 0.00 C ATOM 978 O PRO A 63 -4.183 -27.828 -10.238 1.00 0.00 O ATOM 979 CB PRO A 63 -4.971 -25.665 -12.758 1.00 0.00 C ATOM 980 CG PRO A 63 -3.973 -24.689 -13.279 1.00 0.00 C ATOM 981 CD PRO A 63 -3.787 -23.667 -12.192 1.00 0.00 C ATOM 0 HA PRO A 63 -5.612 -25.888 -10.656 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.842 -26.646 -13.216 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.990 -25.344 -12.975 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.031 -25.183 -13.515 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.327 -24.222 -14.198 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.768 -23.281 -12.173 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.449 -22.812 -12.327 1.00 0.00 H new ATOM 989 N SER A 64 -2.541 -26.789 -11.372 1.00 0.00 N ATOM 990 CA SER A 64 -1.555 -27.832 -11.117 1.00 0.00 C ATOM 991 C SER A 64 -0.597 -27.415 -10.006 1.00 0.00 C ATOM 992 O SER A 64 0.420 -26.769 -10.258 1.00 0.00 O ATOM 993 CB SER A 64 -0.770 -28.143 -12.393 1.00 0.00 C ATOM 994 OG SER A 64 -1.575 -28.836 -13.331 1.00 0.00 O ATOM 0 H SER A 64 -2.193 -26.007 -11.926 1.00 0.00 H new ATOM 0 HA SER A 64 -2.086 -28.729 -10.797 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.407 -27.215 -12.836 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.106 -28.743 -12.148 1.00 0.00 H new ATOM 0 HG SER A 64 -1.051 -29.021 -14.138 1.00 0.00 H new ATOM 1000 N SER A 65 -0.930 -27.789 -8.775 1.00 0.00 N ATOM 1001 CA SER A 65 -0.102 -27.451 -7.623 1.00 0.00 C ATOM 1002 C SER A 65 1.111 -28.373 -7.536 1.00 0.00 C ATOM 1003 O SER A 65 1.070 -29.515 -7.991 1.00 0.00 O ATOM 1004 CB SER A 65 -0.921 -27.544 -6.334 1.00 0.00 C ATOM 1005 OG SER A 65 -0.132 -27.220 -5.203 1.00 0.00 O ATOM 0 H SER A 65 -1.767 -28.326 -8.550 1.00 0.00 H new ATOM 0 HA SER A 65 0.250 -26.427 -7.748 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.774 -26.868 -6.392 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.321 -28.552 -6.226 1.00 0.00 H new ATOM 0 HG SER A 65 -0.679 -27.285 -4.393 1.00 0.00 H new ATOM 1011 N GLY A 66 2.190 -27.867 -6.947 1.00 0.00 N ATOM 1012 CA GLY A 66 3.400 -28.657 -6.811 1.00 0.00 C ATOM 1013 C GLY A 66 4.576 -28.048 -7.547 1.00 0.00 C ATOM 1014 O GLY A 66 5.380 -28.762 -8.145 1.00 0.00 O ATOM 0 H GLY A 66 2.248 -26.924 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.649 -28.756 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.218 -29.662 -7.191 1.00 0.00 H new TER 1018 GLY A 66