USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 495 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 139:sc= 0.582 USER MOD Single : A 3 SER OG : rot 16:sc= 0.281! 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -104:sc= -0.0205 (180deg=-0.0724) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0151 K(o=-0.015,f=-1.4!) USER MOD Single : A 16 TYR OH : rot 120:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.2) USER MOD Single : A 20 ASN : amide:sc= -2.54! C(o=-2.5!,f=-6.3!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 38 CYS SG : rot 180:sc= -0.0562 USER MOD Single : A 47 SER OG : rot 180:sc= -0.19 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00906 USER MOD Single : A 59 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -1 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00521 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.562 -16.150 7.237 1.00 0.00 N ATOM 2 CA GLY A 1 -14.926 -16.792 8.373 1.00 0.00 C ATOM 3 C GLY A 1 -13.458 -16.434 8.494 1.00 0.00 C ATOM 4 O GLY A 1 -13.038 -15.834 9.483 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.564 -16.426 7.198 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.491 -15.117 7.338 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.087 -16.446 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.444 -16.502 9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.027 -17.873 8.279 1.00 0.00 H new ATOM 8 N SER A 2 -12.675 -16.804 7.485 1.00 0.00 N ATOM 9 CA SER A 2 -11.244 -16.523 7.485 1.00 0.00 C ATOM 10 C SER A 2 -10.972 -15.091 7.937 1.00 0.00 C ATOM 11 O SER A 2 -11.831 -14.218 7.821 1.00 0.00 O ATOM 12 CB SER A 2 -10.658 -16.750 6.091 1.00 0.00 C ATOM 13 OG SER A 2 -10.382 -18.123 5.871 1.00 0.00 O ATOM 0 H SER A 2 -13.008 -17.299 6.657 1.00 0.00 H new ATOM 0 HA SER A 2 -10.765 -17.205 8.188 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.358 -16.391 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.742 -16.169 5.979 1.00 0.00 H new ATOM 0 HG SER A 2 -10.638 -18.366 4.957 1.00 0.00 H new ATOM 19 N SER A 3 -9.769 -14.858 8.452 1.00 0.00 N ATOM 20 CA SER A 3 -9.383 -13.534 8.925 1.00 0.00 C ATOM 21 C SER A 3 -9.125 -12.592 7.752 1.00 0.00 C ATOM 22 O SER A 3 -8.363 -12.912 6.841 1.00 0.00 O ATOM 23 CB SER A 3 -8.133 -13.627 9.803 1.00 0.00 C ATOM 24 OG SER A 3 -6.970 -13.820 9.017 1.00 0.00 O ATOM 0 H SER A 3 -9.045 -15.569 8.552 1.00 0.00 H new ATOM 0 HA SER A 3 -10.205 -13.133 9.517 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.030 -12.716 10.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.240 -14.452 10.508 1.00 0.00 H new ATOM 0 HG SER A 3 -7.169 -13.608 8.081 1.00 0.00 H new ATOM 30 N GLY A 4 -9.767 -11.428 7.784 1.00 0.00 N ATOM 31 CA GLY A 4 -9.595 -10.457 6.719 1.00 0.00 C ATOM 32 C GLY A 4 -10.885 -10.182 5.972 1.00 0.00 C ATOM 33 O GLY A 4 -11.187 -10.840 4.977 1.00 0.00 O ATOM 0 H GLY A 4 -10.403 -11.140 8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.216 -9.525 7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.843 -10.820 6.018 1.00 0.00 H new ATOM 37 N SER A 5 -11.649 -9.207 6.454 1.00 0.00 N ATOM 38 CA SER A 5 -12.917 -8.849 5.829 1.00 0.00 C ATOM 39 C SER A 5 -12.902 -7.396 5.362 1.00 0.00 C ATOM 40 O SER A 5 -13.194 -7.102 4.204 1.00 0.00 O ATOM 41 CB SER A 5 -14.073 -9.071 6.806 1.00 0.00 C ATOM 42 OG SER A 5 -14.128 -10.421 7.232 1.00 0.00 O ATOM 0 H SER A 5 -11.412 -8.651 7.275 1.00 0.00 H new ATOM 0 HA SER A 5 -13.058 -9.490 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.953 -8.418 7.671 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.014 -8.798 6.329 1.00 0.00 H new ATOM 0 HG SER A 5 -14.874 -10.537 7.857 1.00 0.00 H new ATOM 48 N SER A 6 -12.560 -6.492 6.275 1.00 0.00 N ATOM 49 CA SER A 6 -12.510 -5.069 5.960 1.00 0.00 C ATOM 50 C SER A 6 -11.296 -4.747 5.094 1.00 0.00 C ATOM 51 O SER A 6 -11.430 -4.240 3.981 1.00 0.00 O ATOM 52 CB SER A 6 -12.467 -4.242 7.246 1.00 0.00 C ATOM 53 OG SER A 6 -13.768 -4.061 7.779 1.00 0.00 O ATOM 0 H SER A 6 -12.314 -6.720 7.238 1.00 0.00 H new ATOM 0 HA SER A 6 -13.411 -4.813 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.835 -4.740 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.015 -3.271 7.043 1.00 0.00 H new ATOM 0 HG SER A 6 -13.714 -3.531 8.601 1.00 0.00 H new ATOM 59 N GLY A 7 -10.109 -5.046 5.615 1.00 0.00 N ATOM 60 CA GLY A 7 -8.887 -4.781 4.877 1.00 0.00 C ATOM 61 C GLY A 7 -7.981 -5.994 4.801 1.00 0.00 C ATOM 62 O GLY A 7 -7.978 -6.834 5.702 1.00 0.00 O ATOM 0 H GLY A 7 -9.972 -5.467 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.139 -4.456 3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.350 -3.960 5.352 1.00 0.00 H new ATOM 66 N THR A 8 -7.211 -6.089 3.722 1.00 0.00 N ATOM 67 CA THR A 8 -6.299 -7.209 3.531 1.00 0.00 C ATOM 68 C THR A 8 -4.868 -6.821 3.887 1.00 0.00 C ATOM 69 O THR A 8 -4.399 -5.727 3.571 1.00 0.00 O ATOM 70 CB THR A 8 -6.333 -7.719 2.078 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.645 -8.195 1.756 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.319 -8.835 1.872 1.00 0.00 C ATOM 0 H THR A 8 -7.201 -5.403 2.967 1.00 0.00 H new ATOM 0 HA THR A 8 -6.633 -8.005 4.197 1.00 0.00 H new ATOM 0 HB THR A 8 -6.076 -6.889 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.658 -8.516 0.830 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.361 -9.179 0.839 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.318 -8.462 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.550 -9.665 2.540 1.00 0.00 H new ATOM 80 N PRO A 9 -4.156 -7.736 4.561 1.00 0.00 N ATOM 81 CA PRO A 9 -2.768 -7.512 4.974 1.00 0.00 C ATOM 82 C PRO A 9 -1.807 -7.493 3.791 1.00 0.00 C ATOM 83 O PRO A 9 -1.938 -8.287 2.859 1.00 0.00 O ATOM 84 CB PRO A 9 -2.471 -8.707 5.884 1.00 0.00 C ATOM 85 CG PRO A 9 -3.408 -9.772 5.429 1.00 0.00 C ATOM 86 CD PRO A 9 -4.652 -9.061 4.971 1.00 0.00 C ATOM 0 HA PRO A 9 -2.639 -6.545 5.461 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.433 -9.027 5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.635 -8.457 6.932 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.971 -10.356 4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.631 -10.467 6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.132 -9.584 4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.389 -8.985 5.771 1.00 0.00 H new ATOM 94 N TYR A 10 -0.841 -6.582 3.834 1.00 0.00 N ATOM 95 CA TYR A 10 0.141 -6.458 2.763 1.00 0.00 C ATOM 96 C TYR A 10 1.518 -6.112 3.324 1.00 0.00 C ATOM 97 O TYR A 10 1.672 -5.885 4.524 1.00 0.00 O ATOM 98 CB TYR A 10 -0.297 -5.389 1.761 1.00 0.00 C ATOM 99 CG TYR A 10 -1.191 -5.918 0.663 1.00 0.00 C ATOM 100 CD1 TYR A 10 -2.479 -6.359 0.940 1.00 0.00 C ATOM 101 CD2 TYR A 10 -0.747 -5.979 -0.652 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.299 -6.844 -0.060 1.00 0.00 C ATOM 103 CE2 TYR A 10 -1.560 -6.461 -1.659 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.835 -6.893 -1.358 1.00 0.00 C ATOM 105 OH TYR A 10 -3.648 -7.376 -2.358 1.00 0.00 O ATOM 0 H TYR A 10 -0.717 -5.919 4.599 1.00 0.00 H new ATOM 0 HA TYR A 10 0.207 -7.419 2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.821 -4.596 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.589 -4.939 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.846 -6.322 1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.251 -5.644 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.298 -7.183 0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.200 -6.499 -2.676 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.170 -7.342 -3.213 1.00 0.00 H new ATOM 115 N ARG A 11 2.514 -6.073 2.446 1.00 0.00 N ATOM 116 CA ARG A 11 3.878 -5.756 2.852 1.00 0.00 C ATOM 117 C ARG A 11 4.606 -4.984 1.755 1.00 0.00 C ATOM 118 O ARG A 11 4.513 -5.325 0.576 1.00 0.00 O ATOM 119 CB ARG A 11 4.645 -7.037 3.184 1.00 0.00 C ATOM 120 CG ARG A 11 6.130 -6.813 3.421 1.00 0.00 C ATOM 121 CD ARG A 11 6.928 -8.088 3.197 1.00 0.00 C ATOM 122 NE ARG A 11 8.294 -7.810 2.763 1.00 0.00 N ATOM 123 CZ ARG A 11 9.045 -8.679 2.096 1.00 0.00 C ATOM 124 NH1 ARG A 11 8.565 -9.876 1.789 1.00 0.00 N ATOM 125 NH2 ARG A 11 10.280 -8.352 1.735 1.00 0.00 N ATOM 0 H ARG A 11 2.402 -6.257 1.449 1.00 0.00 H new ATOM 0 HA ARG A 11 3.829 -5.129 3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.208 -7.492 4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.519 -7.748 2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.493 -6.033 2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.288 -6.458 4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.952 -8.667 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.428 -8.702 2.448 1.00 0.00 H new ATOM 0 HE ARG A 11 8.694 -6.898 2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.617 -10.131 2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.144 -10.542 1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.653 -7.432 1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.856 -9.020 1.223 1.00 0.00 H new ATOM 139 N ALA A 12 5.330 -3.943 2.152 1.00 0.00 N ATOM 140 CA ALA A 12 6.075 -3.124 1.203 1.00 0.00 C ATOM 141 C ALA A 12 7.404 -3.778 0.838 1.00 0.00 C ATOM 142 O ALA A 12 8.361 -3.732 1.610 1.00 0.00 O ATOM 143 CB ALA A 12 6.308 -1.734 1.775 1.00 0.00 C ATOM 0 H ALA A 12 5.417 -3.647 3.124 1.00 0.00 H new ATOM 0 HA ALA A 12 5.482 -3.036 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.865 -1.133 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.348 -1.259 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.878 -1.812 2.701 1.00 0.00 H new ATOM 149 N MET A 13 7.454 -4.387 -0.342 1.00 0.00 N ATOM 150 CA MET A 13 8.666 -5.050 -0.808 1.00 0.00 C ATOM 151 C MET A 13 9.822 -4.060 -0.910 1.00 0.00 C ATOM 152 O MET A 13 10.990 -4.447 -0.859 1.00 0.00 O ATOM 153 CB MET A 13 8.422 -5.709 -2.167 1.00 0.00 C ATOM 154 CG MET A 13 7.173 -6.573 -2.208 1.00 0.00 C ATOM 155 SD MET A 13 7.229 -7.814 -3.515 1.00 0.00 S ATOM 156 CE MET A 13 6.465 -6.920 -4.865 1.00 0.00 C ATOM 0 H MET A 13 6.670 -4.435 -0.993 1.00 0.00 H new ATOM 0 HA MET A 13 8.932 -5.819 -0.082 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.342 -4.933 -2.929 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.286 -6.321 -2.425 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.048 -7.070 -1.246 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.300 -5.936 -2.354 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.444 -7.274 -5.004 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.451 -5.855 -4.634 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.034 -7.086 -5.780 1.00 0.00 H new ATOM 166 N TYR A 14 9.490 -2.782 -1.056 1.00 0.00 N ATOM 167 CA TYR A 14 10.501 -1.737 -1.168 1.00 0.00 C ATOM 168 C TYR A 14 9.990 -0.421 -0.589 1.00 0.00 C ATOM 169 O TYR A 14 8.823 -0.069 -0.755 1.00 0.00 O ATOM 170 CB TYR A 14 10.902 -1.542 -2.631 1.00 0.00 C ATOM 171 CG TYR A 14 10.814 -2.805 -3.457 1.00 0.00 C ATOM 172 CD1 TYR A 14 11.839 -3.743 -3.438 1.00 0.00 C ATOM 173 CD2 TYR A 14 9.707 -3.061 -4.257 1.00 0.00 C ATOM 174 CE1 TYR A 14 11.764 -4.898 -4.192 1.00 0.00 C ATOM 175 CE2 TYR A 14 9.623 -4.214 -5.012 1.00 0.00 C ATOM 176 CZ TYR A 14 10.654 -5.129 -4.977 1.00 0.00 C ATOM 177 OH TYR A 14 10.574 -6.279 -5.729 1.00 0.00 O ATOM 0 H TYR A 14 8.528 -2.445 -1.100 1.00 0.00 H new ATOM 0 HA TYR A 14 11.375 -2.049 -0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.261 -0.781 -3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.923 -1.162 -2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.709 -3.566 -2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.898 -2.346 -4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.570 -5.616 -4.167 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.754 -4.398 -5.627 1.00 0.00 H new ATOM 0 HH TYR A 14 9.728 -6.288 -6.223 1.00 0.00 H new ATOM 187 N GLN A 15 10.875 0.301 0.091 1.00 0.00 N ATOM 188 CA GLN A 15 10.515 1.578 0.695 1.00 0.00 C ATOM 189 C GLN A 15 10.044 2.569 -0.365 1.00 0.00 C ATOM 190 O GLN A 15 10.623 2.656 -1.448 1.00 0.00 O ATOM 191 CB GLN A 15 11.707 2.159 1.459 1.00 0.00 C ATOM 192 CG GLN A 15 11.382 3.440 2.210 1.00 0.00 C ATOM 193 CD GLN A 15 12.472 3.837 3.186 1.00 0.00 C ATOM 194 OE1 GLN A 15 13.278 3.006 3.605 1.00 0.00 O ATOM 195 NE2 GLN A 15 12.501 5.112 3.555 1.00 0.00 N ATOM 0 H GLN A 15 11.846 0.023 0.237 1.00 0.00 H new ATOM 0 HA GLN A 15 9.695 1.403 1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.072 1.415 2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.517 2.355 0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.229 4.248 1.494 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.444 3.312 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.813 5.767 3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.211 5.437 4.211 1.00 0.00 H new ATOM 204 N TYR A 16 8.991 3.313 -0.046 1.00 0.00 N ATOM 205 CA TYR A 16 8.441 4.295 -0.972 1.00 0.00 C ATOM 206 C TYR A 16 8.638 5.713 -0.443 1.00 0.00 C ATOM 207 O TYR A 16 8.797 5.922 0.759 1.00 0.00 O ATOM 208 CB TYR A 16 6.953 4.029 -1.206 1.00 0.00 C ATOM 209 CG TYR A 16 6.301 5.019 -2.144 1.00 0.00 C ATOM 210 CD1 TYR A 16 6.627 5.046 -3.494 1.00 0.00 C ATOM 211 CD2 TYR A 16 5.357 5.927 -1.680 1.00 0.00 C ATOM 212 CE1 TYR A 16 6.035 5.950 -4.354 1.00 0.00 C ATOM 213 CE2 TYR A 16 4.758 6.834 -2.533 1.00 0.00 C ATOM 214 CZ TYR A 16 5.100 6.842 -3.869 1.00 0.00 C ATOM 215 OH TYR A 16 4.506 7.742 -4.723 1.00 0.00 O ATOM 0 H TYR A 16 8.501 3.255 0.847 1.00 0.00 H new ATOM 0 HA TYR A 16 8.974 4.202 -1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.831 3.024 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.433 4.052 -0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.356 4.348 -3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.087 5.924 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.302 5.959 -5.400 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.026 7.533 -2.156 1.00 0.00 H new ATOM 0 HH TYR A 16 3.537 7.599 -4.727 1.00 0.00 H new ATOM 225 N ARG A 17 8.626 6.683 -1.352 1.00 0.00 N ATOM 226 CA ARG A 17 8.805 8.081 -0.978 1.00 0.00 C ATOM 227 C ARG A 17 7.704 8.949 -1.581 1.00 0.00 C ATOM 228 O ARG A 17 7.812 9.440 -2.705 1.00 0.00 O ATOM 229 CB ARG A 17 10.174 8.583 -1.439 1.00 0.00 C ATOM 230 CG ARG A 17 11.331 8.032 -0.622 1.00 0.00 C ATOM 231 CD ARG A 17 12.627 8.769 -0.923 1.00 0.00 C ATOM 232 NE ARG A 17 12.939 8.768 -2.349 1.00 0.00 N ATOM 233 CZ ARG A 17 14.048 9.292 -2.859 1.00 0.00 C ATOM 234 NH1 ARG A 17 14.946 9.855 -2.063 1.00 0.00 N ATOM 235 NH2 ARG A 17 14.261 9.252 -4.168 1.00 0.00 N ATOM 0 H ARG A 17 8.494 6.527 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 17 8.747 8.151 0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.318 8.312 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.189 9.672 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.101 8.117 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.456 6.971 -0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.550 9.797 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.445 8.304 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 17 12.269 8.342 -2.989 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.786 9.887 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.797 10.257 -2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.573 8.819 -4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.113 9.655 -4.559 1.00 0.00 H new ATOM 249 N PRO A 18 6.618 9.142 -0.818 1.00 0.00 N ATOM 250 CA PRO A 18 5.476 9.951 -1.255 1.00 0.00 C ATOM 251 C PRO A 18 5.811 11.437 -1.326 1.00 0.00 C ATOM 252 O PRO A 18 6.301 12.018 -0.358 1.00 0.00 O ATOM 253 CB PRO A 18 4.423 9.691 -0.176 1.00 0.00 C ATOM 254 CG PRO A 18 5.206 9.315 1.035 1.00 0.00 C ATOM 255 CD PRO A 18 6.421 8.586 0.532 1.00 0.00 C ATOM 0 HA PRO A 18 5.150 9.685 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.815 10.577 0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.743 8.892 -0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.490 10.199 1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.618 8.682 1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.288 8.762 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.260 7.508 0.503 1.00 0.00 H new ATOM 263 N GLN A 19 5.545 12.045 -2.477 1.00 0.00 N ATOM 264 CA GLN A 19 5.819 13.463 -2.673 1.00 0.00 C ATOM 265 C GLN A 19 4.945 14.318 -1.761 1.00 0.00 C ATOM 266 O GLN A 19 5.345 15.402 -1.339 1.00 0.00 O ATOM 267 CB GLN A 19 5.586 13.853 -4.134 1.00 0.00 C ATOM 268 CG GLN A 19 6.637 13.305 -5.085 1.00 0.00 C ATOM 269 CD GLN A 19 7.997 13.942 -4.881 1.00 0.00 C ATOM 270 OE1 GLN A 19 8.160 14.832 -4.045 1.00 0.00 O ATOM 271 NE2 GLN A 19 8.984 13.490 -5.645 1.00 0.00 N ATOM 0 H GLN A 19 5.140 11.578 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 19 6.863 13.643 -2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.605 13.495 -4.445 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.568 14.940 -4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.720 12.227 -4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.313 13.470 -6.113 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.805 12.751 -6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.921 13.881 -5.552 1.00 0.00 H new ATOM 280 N ASN A 20 3.749 13.821 -1.460 1.00 0.00 N ATOM 281 CA ASN A 20 2.818 14.540 -0.598 1.00 0.00 C ATOM 282 C ASN A 20 2.053 13.574 0.301 1.00 0.00 C ATOM 283 O ASN A 20 2.304 12.369 0.289 1.00 0.00 O ATOM 284 CB ASN A 20 1.836 15.356 -1.441 1.00 0.00 C ATOM 285 CG ASN A 20 1.466 14.657 -2.736 1.00 0.00 C ATOM 286 OD1 ASN A 20 2.336 14.209 -3.483 1.00 0.00 O ATOM 287 ND2 ASN A 20 0.170 14.561 -3.006 1.00 0.00 N ATOM 0 H ASN A 20 3.402 12.924 -1.800 1.00 0.00 H new ATOM 0 HA ASN A 20 3.394 15.217 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.932 15.543 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.276 16.327 -1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.140 14.101 -3.862 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.516 14.947 -2.357 1.00 0.00 H new ATOM 294 N GLU A 21 1.118 14.111 1.079 1.00 0.00 N ATOM 295 CA GLU A 21 0.317 13.296 1.984 1.00 0.00 C ATOM 296 C GLU A 21 -0.614 12.372 1.204 1.00 0.00 C ATOM 297 O GLU A 21 -0.748 11.192 1.528 1.00 0.00 O ATOM 298 CB GLU A 21 -0.500 14.188 2.921 1.00 0.00 C ATOM 299 CG GLU A 21 -1.524 15.050 2.202 1.00 0.00 C ATOM 300 CD GLU A 21 -1.920 16.276 3.002 1.00 0.00 C ATOM 301 OE1 GLU A 21 -1.132 17.244 3.034 1.00 0.00 O ATOM 302 OE2 GLU A 21 -3.019 16.266 3.596 1.00 0.00 O ATOM 0 H GLU A 21 0.897 15.107 1.100 1.00 0.00 H new ATOM 0 HA GLU A 21 0.996 12.683 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.013 13.561 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.179 14.834 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.118 15.364 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.413 14.454 1.994 1.00 0.00 H new ATOM 309 N ASP A 22 -1.254 12.917 0.176 1.00 0.00 N ATOM 310 CA ASP A 22 -2.172 12.143 -0.651 1.00 0.00 C ATOM 311 C ASP A 22 -1.697 10.700 -0.785 1.00 0.00 C ATOM 312 O ASP A 22 -2.503 9.770 -0.804 1.00 0.00 O ATOM 313 CB ASP A 22 -2.307 12.780 -2.035 1.00 0.00 C ATOM 314 CG ASP A 22 -2.915 14.167 -1.977 1.00 0.00 C ATOM 315 OD1 ASP A 22 -3.906 14.350 -1.240 1.00 0.00 O ATOM 316 OD2 ASP A 22 -2.400 15.070 -2.670 1.00 0.00 O ATOM 0 H ASP A 22 -1.154 13.892 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.147 12.142 -0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.324 12.837 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.925 12.142 -2.667 1.00 0.00 H new ATOM 321 N GLU A 23 -0.383 10.521 -0.879 1.00 0.00 N ATOM 322 CA GLU A 23 0.199 9.191 -1.014 1.00 0.00 C ATOM 323 C GLU A 23 0.682 8.669 0.336 1.00 0.00 C ATOM 324 O GLU A 23 1.194 9.427 1.160 1.00 0.00 O ATOM 325 CB GLU A 23 1.361 9.217 -2.009 1.00 0.00 C ATOM 326 CG GLU A 23 1.033 9.929 -3.311 1.00 0.00 C ATOM 327 CD GLU A 23 2.209 9.968 -4.267 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.292 10.434 -3.855 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.046 9.534 -5.426 1.00 0.00 O ATOM 0 H GLU A 23 0.298 11.280 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.574 8.520 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.216 9.706 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.661 8.193 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.194 9.428 -3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.713 10.948 -3.093 1.00 0.00 H new ATOM 336 N LEU A 24 0.515 7.369 0.555 1.00 0.00 N ATOM 337 CA LEU A 24 0.933 6.745 1.805 1.00 0.00 C ATOM 338 C LEU A 24 2.372 6.246 1.710 1.00 0.00 C ATOM 339 O LEU A 24 2.760 5.630 0.719 1.00 0.00 O ATOM 340 CB LEU A 24 0.001 5.583 2.154 1.00 0.00 C ATOM 341 CG LEU A 24 0.029 5.114 3.610 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.333 6.257 4.545 1.00 0.00 C ATOM 343 CD2 LEU A 24 -0.917 3.939 3.809 1.00 0.00 C ATOM 0 H LEU A 24 0.093 6.727 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 24 0.879 7.496 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.020 5.875 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.254 4.736 1.516 1.00 0.00 H new ATOM 0 HG LEU A 24 1.041 4.784 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.308 5.905 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.383 7.069 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.334 6.617 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.885 3.618 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.932 4.242 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.613 3.114 3.165 1.00 0.00 H new ATOM 355 N GLU A 25 3.156 6.517 2.749 1.00 0.00 N ATOM 356 CA GLU A 25 4.551 6.094 2.783 1.00 0.00 C ATOM 357 C GLU A 25 4.663 4.613 3.131 1.00 0.00 C ATOM 358 O GLU A 25 3.806 4.059 3.822 1.00 0.00 O ATOM 359 CB GLU A 25 5.336 6.928 3.797 1.00 0.00 C ATOM 360 CG GLU A 25 6.817 7.040 3.478 1.00 0.00 C ATOM 361 CD GLU A 25 7.486 8.190 4.206 1.00 0.00 C ATOM 362 OE1 GLU A 25 7.696 8.074 5.431 1.00 0.00 O ATOM 363 OE2 GLU A 25 7.799 9.205 3.549 1.00 0.00 O ATOM 0 H GLU A 25 2.849 7.027 3.577 1.00 0.00 H new ATOM 0 HA GLU A 25 4.974 6.249 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.906 7.929 3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.219 6.486 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.314 6.107 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.944 7.172 2.404 1.00 0.00 H new ATOM 370 N LEU A 26 5.723 3.976 2.647 1.00 0.00 N ATOM 371 CA LEU A 26 5.948 2.558 2.907 1.00 0.00 C ATOM 372 C LEU A 26 7.428 2.276 3.147 1.00 0.00 C ATOM 373 O LEU A 26 8.296 2.950 2.593 1.00 0.00 O ATOM 374 CB LEU A 26 5.442 1.718 1.733 1.00 0.00 C ATOM 375 CG LEU A 26 4.054 2.076 1.200 1.00 0.00 C ATOM 376 CD1 LEU A 26 3.885 1.581 -0.228 1.00 0.00 C ATOM 377 CD2 LEU A 26 2.972 1.496 2.099 1.00 0.00 C ATOM 0 H LEU A 26 6.440 4.418 2.072 1.00 0.00 H new ATOM 0 HA LEU A 26 5.395 2.287 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.157 1.806 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.433 0.672 2.038 1.00 0.00 H new ATOM 0 HG LEU A 26 3.955 3.162 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.891 1.845 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.638 2.045 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.004 0.498 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.991 1.761 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.069 0.411 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.080 1.901 3.105 1.00 0.00 H new ATOM 389 N ARG A 27 7.707 1.275 3.975 1.00 0.00 N ATOM 390 CA ARG A 27 9.082 0.903 4.288 1.00 0.00 C ATOM 391 C ARG A 27 9.342 -0.560 3.943 1.00 0.00 C ATOM 392 O ARG A 27 8.414 -1.366 3.880 1.00 0.00 O ATOM 393 CB ARG A 27 9.375 1.148 5.770 1.00 0.00 C ATOM 394 CG ARG A 27 10.827 1.496 6.054 1.00 0.00 C ATOM 395 CD ARG A 27 10.983 2.169 7.409 1.00 0.00 C ATOM 396 NE ARG A 27 10.964 1.204 8.505 1.00 0.00 N ATOM 397 CZ ARG A 27 11.930 0.318 8.721 1.00 0.00 C ATOM 398 NH1 ARG A 27 12.986 0.276 7.922 1.00 0.00 N ATOM 399 NH2 ARG A 27 11.840 -0.528 9.740 1.00 0.00 N ATOM 0 H ARG A 27 7.000 0.707 4.441 1.00 0.00 H new ATOM 0 HA ARG A 27 9.745 1.524 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.739 1.958 6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.106 0.257 6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.432 0.590 6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.204 2.156 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.920 2.725 7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.180 2.892 7.549 1.00 0.00 H new ATOM 0 HE ARG A 27 10.165 1.211 9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.059 0.925 7.139 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.726 -0.405 8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.029 -0.498 10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.582 -1.208 9.905 1.00 0.00 H new ATOM 413 N GLU A 28 10.609 -0.895 3.719 1.00 0.00 N ATOM 414 CA GLU A 28 10.989 -2.260 3.379 1.00 0.00 C ATOM 415 C GLU A 28 10.700 -3.210 4.537 1.00 0.00 C ATOM 416 O GLU A 28 11.344 -3.145 5.584 1.00 0.00 O ATOM 417 CB GLU A 28 12.473 -2.324 3.011 1.00 0.00 C ATOM 418 CG GLU A 28 12.909 -3.675 2.469 1.00 0.00 C ATOM 419 CD GLU A 28 14.370 -3.970 2.745 1.00 0.00 C ATOM 420 OE1 GLU A 28 15.224 -3.537 1.943 1.00 0.00 O ATOM 421 OE2 GLU A 28 14.660 -4.635 3.762 1.00 0.00 O ATOM 0 H GLU A 28 11.389 -0.239 3.767 1.00 0.00 H new ATOM 0 HA GLU A 28 10.395 -2.571 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.687 -1.557 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.068 -2.087 3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.294 -4.457 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.733 -3.705 1.394 1.00 0.00 H new ATOM 428 N GLY A 29 9.725 -4.094 4.342 1.00 0.00 N ATOM 429 CA GLY A 29 9.366 -5.044 5.378 1.00 0.00 C ATOM 430 C GLY A 29 8.347 -4.484 6.351 1.00 0.00 C ATOM 431 O GLY A 29 8.362 -4.816 7.536 1.00 0.00 O ATOM 0 H GLY A 29 9.178 -4.168 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.965 -5.946 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.263 -5.337 5.924 1.00 0.00 H new ATOM 435 N ASP A 30 7.459 -3.633 5.849 1.00 0.00 N ATOM 436 CA ASP A 30 6.427 -3.025 6.682 1.00 0.00 C ATOM 437 C ASP A 30 5.042 -3.520 6.278 1.00 0.00 C ATOM 438 O ASP A 30 4.748 -3.675 5.092 1.00 0.00 O ATOM 439 CB ASP A 30 6.489 -1.501 6.576 1.00 0.00 C ATOM 440 CG ASP A 30 7.478 -0.892 7.551 1.00 0.00 C ATOM 441 OD1 ASP A 30 8.549 -1.497 7.765 1.00 0.00 O ATOM 442 OD2 ASP A 30 7.181 0.190 8.099 1.00 0.00 O ATOM 0 H ASP A 30 7.433 -3.348 4.870 1.00 0.00 H new ATOM 0 HA ASP A 30 6.610 -3.317 7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.766 -1.221 5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.498 -1.086 6.762 1.00 0.00 H new ATOM 447 N ARG A 31 4.195 -3.768 7.272 1.00 0.00 N ATOM 448 CA ARG A 31 2.841 -4.247 7.020 1.00 0.00 C ATOM 449 C ARG A 31 1.928 -3.100 6.595 1.00 0.00 C ATOM 450 O ARG A 31 1.920 -2.037 7.216 1.00 0.00 O ATOM 451 CB ARG A 31 2.277 -4.926 8.270 1.00 0.00 C ATOM 452 CG ARG A 31 2.564 -6.417 8.334 1.00 0.00 C ATOM 453 CD ARG A 31 3.976 -6.734 7.867 1.00 0.00 C ATOM 454 NE ARG A 31 4.333 -8.129 8.111 1.00 0.00 N ATOM 455 CZ ARG A 31 5.497 -8.662 7.757 1.00 0.00 C ATOM 456 NH1 ARG A 31 6.411 -7.921 7.147 1.00 0.00 N ATOM 457 NH2 ARG A 31 5.748 -9.940 8.013 1.00 0.00 N ATOM 0 H ARG A 31 4.422 -3.645 8.259 1.00 0.00 H new ATOM 0 HA ARG A 31 2.885 -4.973 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.695 -4.446 9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.199 -4.770 8.303 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.430 -6.771 9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.846 -6.954 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.062 -6.519 6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.683 -6.083 8.382 1.00 0.00 H new ATOM 0 HE ARG A 31 3.651 -8.727 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.221 -6.939 6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.304 -8.333 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.047 -10.513 8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.642 -10.349 7.741 1.00 0.00 H new ATOM 471 N VAL A 32 1.161 -3.324 5.533 1.00 0.00 N ATOM 472 CA VAL A 32 0.244 -2.310 5.025 1.00 0.00 C ATOM 473 C VAL A 32 -1.181 -2.846 4.953 1.00 0.00 C ATOM 474 O VAL A 32 -1.416 -3.950 4.461 1.00 0.00 O ATOM 475 CB VAL A 32 0.668 -1.819 3.628 1.00 0.00 C ATOM 476 CG1 VAL A 32 0.060 -0.457 3.334 1.00 0.00 C ATOM 477 CG2 VAL A 32 2.185 -1.770 3.519 1.00 0.00 C ATOM 0 H VAL A 32 1.156 -4.198 5.008 1.00 0.00 H new ATOM 0 HA VAL A 32 0.280 -1.473 5.722 1.00 0.00 H new ATOM 0 HB VAL A 32 0.296 -2.524 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.371 -0.126 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.027 -0.529 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.400 0.262 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.467 -1.421 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.582 -1.087 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.594 -2.767 3.683 1.00 0.00 H new ATOM 487 N ASP A 33 -2.129 -2.056 5.444 1.00 0.00 N ATOM 488 CA ASP A 33 -3.533 -2.450 5.434 1.00 0.00 C ATOM 489 C ASP A 33 -4.251 -1.870 4.219 1.00 0.00 C ATOM 490 O ASP A 33 -4.642 -0.703 4.214 1.00 0.00 O ATOM 491 CB ASP A 33 -4.224 -1.988 6.718 1.00 0.00 C ATOM 492 CG ASP A 33 -3.468 -2.405 7.965 1.00 0.00 C ATOM 493 OD1 ASP A 33 -2.555 -1.661 8.382 1.00 0.00 O ATOM 494 OD2 ASP A 33 -3.789 -3.474 8.523 1.00 0.00 O ATOM 0 H ASP A 33 -1.951 -1.139 5.854 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.579 -3.538 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.324 -0.903 6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.232 -2.400 6.753 1.00 0.00 H new ATOM 499 N VAL A 34 -4.421 -2.694 3.190 1.00 0.00 N ATOM 500 CA VAL A 34 -5.092 -2.264 1.969 1.00 0.00 C ATOM 501 C VAL A 34 -6.604 -2.418 2.089 1.00 0.00 C ATOM 502 O VAL A 34 -7.106 -3.502 2.387 1.00 0.00 O ATOM 503 CB VAL A 34 -4.601 -3.063 0.748 1.00 0.00 C ATOM 504 CG1 VAL A 34 -5.576 -2.920 -0.411 1.00 0.00 C ATOM 505 CG2 VAL A 34 -3.207 -2.611 0.341 1.00 0.00 C ATOM 0 H VAL A 34 -4.103 -3.663 3.178 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.847 -1.211 1.827 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.551 -4.117 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.212 -3.491 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.554 -3.297 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.661 -1.869 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.876 -3.186 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.228 -1.552 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.516 -2.771 1.169 1.00 0.00 H new ATOM 515 N MET A 35 -7.325 -1.326 1.855 1.00 0.00 N ATOM 516 CA MET A 35 -8.781 -1.341 1.935 1.00 0.00 C ATOM 517 C MET A 35 -9.401 -1.442 0.545 1.00 0.00 C ATOM 518 O MET A 35 -10.097 -2.409 0.236 1.00 0.00 O ATOM 519 CB MET A 35 -9.287 -0.082 2.641 1.00 0.00 C ATOM 520 CG MET A 35 -8.516 0.256 3.907 1.00 0.00 C ATOM 521 SD MET A 35 -8.804 -0.931 5.234 1.00 0.00 S ATOM 522 CE MET A 35 -7.705 -0.298 6.498 1.00 0.00 C ATOM 0 H MET A 35 -6.925 -0.421 1.609 1.00 0.00 H new ATOM 0 HA MET A 35 -9.079 -2.217 2.511 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.226 0.760 1.952 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.340 -0.214 2.891 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.450 0.290 3.680 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.802 1.251 4.247 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.770 -0.928 7.385 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.681 -0.301 6.125 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.994 0.721 6.755 1.00 0.00 H new ATOM 532 N GLN A 36 -9.145 -0.438 -0.287 1.00 0.00 N ATOM 533 CA GLN A 36 -9.680 -0.416 -1.643 1.00 0.00 C ATOM 534 C GLN A 36 -8.599 -0.768 -2.660 1.00 0.00 C ATOM 535 O GLN A 36 -7.418 -0.846 -2.323 1.00 0.00 O ATOM 536 CB GLN A 36 -10.265 0.962 -1.960 1.00 0.00 C ATOM 537 CG GLN A 36 -11.041 1.007 -3.267 1.00 0.00 C ATOM 538 CD GLN A 36 -12.111 2.080 -3.273 1.00 0.00 C ATOM 539 OE1 GLN A 36 -12.062 3.027 -2.488 1.00 0.00 O ATOM 540 NE2 GLN A 36 -13.087 1.938 -4.163 1.00 0.00 N ATOM 0 H GLN A 36 -8.571 0.370 -0.046 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.471 -1.163 -1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.923 1.264 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.455 1.690 -2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.349 1.185 -4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.504 0.036 -3.444 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.088 1.137 -4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.835 2.630 -4.214 1.00 0.00 H new ATOM 549 N GLN A 37 -9.012 -0.980 -3.906 1.00 0.00 N ATOM 550 CA GLN A 37 -8.079 -1.325 -4.971 1.00 0.00 C ATOM 551 C GLN A 37 -8.305 -0.448 -6.198 1.00 0.00 C ATOM 552 O GLN A 37 -9.433 -0.046 -6.486 1.00 0.00 O ATOM 553 CB GLN A 37 -8.226 -2.800 -5.350 1.00 0.00 C ATOM 554 CG GLN A 37 -8.019 -3.751 -4.182 1.00 0.00 C ATOM 555 CD GLN A 37 -7.697 -5.163 -4.630 1.00 0.00 C ATOM 556 OE1 GLN A 37 -8.051 -5.573 -5.736 1.00 0.00 O ATOM 557 NE2 GLN A 37 -7.020 -5.917 -3.771 1.00 0.00 N ATOM 0 H GLN A 37 -9.986 -0.919 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.068 -1.151 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.219 -2.962 -5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.507 -3.039 -6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.209 -3.379 -3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.918 -3.765 -3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.746 -5.537 -2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.774 -6.876 -4.018 1.00 0.00 H new ATOM 566 N CYS A 38 -7.227 -0.156 -6.917 1.00 0.00 N ATOM 567 CA CYS A 38 -7.307 0.675 -8.113 1.00 0.00 C ATOM 568 C CYS A 38 -7.403 -0.187 -9.368 1.00 0.00 C ATOM 569 O CYS A 38 -7.148 -1.391 -9.328 1.00 0.00 O ATOM 570 CB CYS A 38 -6.089 1.595 -8.204 1.00 0.00 C ATOM 571 SG CYS A 38 -6.300 3.184 -7.366 1.00 0.00 S ATOM 0 H CYS A 38 -6.287 -0.482 -6.693 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.208 1.284 -8.042 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.227 1.083 -7.777 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.863 1.778 -9.254 1.00 0.00 H new ATOM 0 HG CYS A 38 -5.217 3.891 -7.497 1.00 0.00 H new ATOM 577 N ASP A 39 -7.773 0.437 -10.481 1.00 0.00 N ATOM 578 CA ASP A 39 -7.903 -0.272 -11.748 1.00 0.00 C ATOM 579 C ASP A 39 -6.672 -0.054 -12.623 1.00 0.00 C ATOM 580 O ASP A 39 -6.538 -0.661 -13.685 1.00 0.00 O ATOM 581 CB ASP A 39 -9.159 0.190 -12.489 1.00 0.00 C ATOM 582 CG ASP A 39 -10.422 -0.441 -11.937 1.00 0.00 C ATOM 583 OD1 ASP A 39 -10.406 -1.659 -11.662 1.00 0.00 O ATOM 584 OD2 ASP A 39 -11.427 0.284 -11.780 1.00 0.00 O ATOM 0 H ASP A 39 -7.988 1.433 -10.531 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.989 -1.337 -11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.239 1.275 -12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.065 -0.057 -13.546 1.00 0.00 H new ATOM 589 N ASP A 40 -5.778 0.817 -12.169 1.00 0.00 N ATOM 590 CA ASP A 40 -4.558 1.116 -12.909 1.00 0.00 C ATOM 591 C ASP A 40 -3.374 0.338 -12.343 1.00 0.00 C ATOM 592 O ASP A 40 -2.251 0.454 -12.831 1.00 0.00 O ATOM 593 CB ASP A 40 -4.265 2.616 -12.867 1.00 0.00 C ATOM 594 CG ASP A 40 -3.426 3.076 -14.043 1.00 0.00 C ATOM 595 OD1 ASP A 40 -4.001 3.303 -15.128 1.00 0.00 O ATOM 596 OD2 ASP A 40 -2.195 3.209 -13.879 1.00 0.00 O ATOM 0 H ASP A 40 -5.875 1.328 -11.292 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.708 0.812 -13.945 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.206 3.167 -12.858 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.746 2.856 -11.939 1.00 0.00 H new ATOM 601 N GLY A 41 -3.634 -0.457 -11.309 1.00 0.00 N ATOM 602 CA GLY A 41 -2.581 -1.241 -10.693 1.00 0.00 C ATOM 603 C GLY A 41 -2.053 -0.607 -9.421 1.00 0.00 C ATOM 604 O GLY A 41 -0.853 -0.647 -9.152 1.00 0.00 O ATOM 0 H GLY A 41 -4.556 -0.571 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.959 -2.238 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.762 -1.363 -11.401 1.00 0.00 H new ATOM 608 N TRP A 42 -2.951 -0.019 -8.639 1.00 0.00 N ATOM 609 CA TRP A 42 -2.569 0.628 -7.389 1.00 0.00 C ATOM 610 C TRP A 42 -3.383 0.081 -6.222 1.00 0.00 C ATOM 611 O TRP A 42 -4.319 -0.695 -6.414 1.00 0.00 O ATOM 612 CB TRP A 42 -2.760 2.142 -7.496 1.00 0.00 C ATOM 613 CG TRP A 42 -1.576 2.850 -8.080 1.00 0.00 C ATOM 614 CD1 TRP A 42 -1.035 2.657 -9.319 1.00 0.00 C ATOM 615 CD2 TRP A 42 -0.786 3.864 -7.449 1.00 0.00 C ATOM 616 NE1 TRP A 42 0.044 3.490 -9.496 1.00 0.00 N ATOM 617 CE2 TRP A 42 0.217 4.240 -8.363 1.00 0.00 C ATOM 618 CE3 TRP A 42 -0.829 4.491 -6.201 1.00 0.00 C ATOM 619 CZ2 TRP A 42 1.167 5.214 -8.066 1.00 0.00 C ATOM 620 CZ3 TRP A 42 0.114 5.457 -5.907 1.00 0.00 C ATOM 621 CH2 TRP A 42 1.101 5.812 -6.837 1.00 0.00 C ATOM 0 H TRP A 42 -3.948 0.023 -8.848 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.516 0.414 -7.204 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.637 2.348 -8.110 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.963 2.546 -6.504 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.401 1.953 -10.052 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.622 3.541 -10.335 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.586 4.225 -5.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.929 5.488 -8.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.090 5.947 -4.945 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.823 6.572 -6.578 1.00 0.00 H new ATOM 632 N PHE A 43 -3.021 0.491 -5.010 1.00 0.00 N ATOM 633 CA PHE A 43 -3.719 0.042 -3.811 1.00 0.00 C ATOM 634 C PHE A 43 -3.906 1.192 -2.827 1.00 0.00 C ATOM 635 O PHE A 43 -2.984 1.972 -2.583 1.00 0.00 O ATOM 636 CB PHE A 43 -2.945 -1.096 -3.142 1.00 0.00 C ATOM 637 CG PHE A 43 -2.950 -2.372 -3.935 1.00 0.00 C ATOM 638 CD1 PHE A 43 -4.124 -2.854 -4.489 1.00 0.00 C ATOM 639 CD2 PHE A 43 -1.779 -3.089 -4.126 1.00 0.00 C ATOM 640 CE1 PHE A 43 -4.132 -4.028 -5.219 1.00 0.00 C ATOM 641 CE2 PHE A 43 -1.781 -4.262 -4.856 1.00 0.00 C ATOM 642 CZ PHE A 43 -2.959 -4.733 -5.402 1.00 0.00 C ATOM 0 H PHE A 43 -2.249 1.133 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.703 -0.321 -4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.914 -0.780 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.374 -1.287 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.044 -2.306 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.855 -2.727 -3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.055 -4.393 -5.646 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.862 -4.810 -5.000 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.963 -5.651 -5.971 1.00 0.00 H new ATOM 652 N VAL A 44 -5.106 1.293 -2.264 1.00 0.00 N ATOM 653 CA VAL A 44 -5.415 2.347 -1.306 1.00 0.00 C ATOM 654 C VAL A 44 -5.754 1.765 0.062 1.00 0.00 C ATOM 655 O VAL A 44 -6.645 0.926 0.187 1.00 0.00 O ATOM 656 CB VAL A 44 -6.592 3.216 -1.787 1.00 0.00 C ATOM 657 CG1 VAL A 44 -6.783 4.414 -0.869 1.00 0.00 C ATOM 658 CG2 VAL A 44 -6.369 3.665 -3.224 1.00 0.00 C ATOM 0 H VAL A 44 -5.880 0.657 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.524 2.969 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.501 2.616 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.619 5.016 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.991 4.067 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.876 5.019 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.210 4.278 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.450 4.248 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.287 2.791 -3.870 1.00 0.00 H new ATOM 668 N GLY A 45 -5.037 2.217 1.086 1.00 0.00 N ATOM 669 CA GLY A 45 -5.277 1.730 2.432 1.00 0.00 C ATOM 670 C GLY A 45 -4.611 2.591 3.487 1.00 0.00 C ATOM 671 O GLY A 45 -4.426 3.793 3.293 1.00 0.00 O ATOM 0 H GLY A 45 -4.294 2.912 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.351 1.699 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.909 0.708 2.516 1.00 0.00 H new ATOM 675 N VAL A 46 -4.251 1.977 4.610 1.00 0.00 N ATOM 676 CA VAL A 46 -3.603 2.695 5.700 1.00 0.00 C ATOM 677 C VAL A 46 -2.261 2.064 6.053 1.00 0.00 C ATOM 678 O VAL A 46 -2.078 0.854 5.920 1.00 0.00 O ATOM 679 CB VAL A 46 -4.490 2.724 6.959 1.00 0.00 C ATOM 680 CG1 VAL A 46 -3.692 3.197 8.165 1.00 0.00 C ATOM 681 CG2 VAL A 46 -5.706 3.611 6.733 1.00 0.00 C ATOM 0 H VAL A 46 -4.398 0.983 4.788 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.442 3.716 5.354 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.839 1.711 7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.336 3.211 9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.857 2.518 8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.311 4.201 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.322 3.620 7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.379 4.626 6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.289 3.223 5.898 1.00 0.00 H new ATOM 691 N SER A 47 -1.324 2.892 6.504 1.00 0.00 N ATOM 692 CA SER A 47 0.004 2.415 6.873 1.00 0.00 C ATOM 693 C SER A 47 0.001 1.840 8.287 1.00 0.00 C ATOM 694 O SER A 47 -0.976 1.978 9.023 1.00 0.00 O ATOM 695 CB SER A 47 1.023 3.552 6.775 1.00 0.00 C ATOM 696 OG SER A 47 2.325 3.100 7.103 1.00 0.00 O ATOM 0 H SER A 47 -1.460 3.896 6.623 1.00 0.00 H new ATOM 0 HA SER A 47 0.285 1.624 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.020 3.961 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.736 4.361 7.447 1.00 0.00 H new ATOM 0 HG SER A 47 2.958 3.845 7.031 1.00 0.00 H new ATOM 702 N ARG A 48 1.103 1.196 8.658 1.00 0.00 N ATOM 703 CA ARG A 48 1.228 0.598 9.982 1.00 0.00 C ATOM 704 C ARG A 48 2.305 1.307 10.799 1.00 0.00 C ATOM 705 O ARG A 48 2.671 0.858 11.885 1.00 0.00 O ATOM 706 CB ARG A 48 1.559 -0.890 9.864 1.00 0.00 C ATOM 707 CG ARG A 48 0.371 -1.749 9.464 1.00 0.00 C ATOM 708 CD ARG A 48 -0.578 -1.966 10.632 1.00 0.00 C ATOM 709 NE ARG A 48 0.051 -2.716 11.716 1.00 0.00 N ATOM 710 CZ ARG A 48 -0.486 -2.853 12.923 1.00 0.00 C ATOM 711 NH1 ARG A 48 -1.655 -2.294 13.200 1.00 0.00 N ATOM 712 NH2 ARG A 48 0.148 -3.551 13.857 1.00 0.00 N ATOM 0 H ARG A 48 1.921 1.075 8.061 1.00 0.00 H new ATOM 0 HA ARG A 48 0.273 0.711 10.496 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.354 -1.019 9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.947 -1.244 10.819 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.164 -1.272 8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.724 -2.713 9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.917 -1.001 11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.462 -2.501 10.286 1.00 0.00 H new ATOM 0 HE ARG A 48 0.952 -3.159 11.536 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.145 -1.756 12.485 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.064 -2.401 14.128 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.048 -3.983 13.648 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.265 -3.656 14.784 1.00 0.00 H new ATOM 726 N ARG A 49 2.809 2.416 10.267 1.00 0.00 N ATOM 727 CA ARG A 49 3.845 3.185 10.945 1.00 0.00 C ATOM 728 C ARG A 49 3.363 4.602 11.244 1.00 0.00 C ATOM 729 O ARG A 49 3.632 5.149 12.314 1.00 0.00 O ATOM 730 CB ARG A 49 5.114 3.237 10.092 1.00 0.00 C ATOM 731 CG ARG A 49 6.226 4.072 10.703 1.00 0.00 C ATOM 732 CD ARG A 49 7.524 3.928 9.924 1.00 0.00 C ATOM 733 NE ARG A 49 8.413 5.069 10.125 1.00 0.00 N ATOM 734 CZ ARG A 49 9.102 5.276 11.242 1.00 0.00 C ATOM 735 NH1 ARG A 49 9.006 4.423 12.252 1.00 0.00 N ATOM 736 NH2 ARG A 49 9.891 6.338 11.349 1.00 0.00 N ATOM 0 H ARG A 49 2.517 2.802 9.369 1.00 0.00 H new ATOM 0 HA ARG A 49 4.070 2.689 11.889 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.478 2.222 9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.865 3.641 9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.927 5.120 10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.385 3.767 11.737 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.032 3.014 10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.300 3.826 8.862 1.00 0.00 H new ATOM 0 HE ARG A 49 8.510 5.744 9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.402 3.605 12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.536 4.585 13.108 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.969 6.996 10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.420 6.496 12.207 1.00 0.00 H new ATOM 750 N THR A 50 2.649 5.192 10.290 1.00 0.00 N ATOM 751 CA THR A 50 2.130 6.545 10.449 1.00 0.00 C ATOM 752 C THR A 50 0.626 6.532 10.695 1.00 0.00 C ATOM 753 O THR A 50 0.053 7.525 11.141 1.00 0.00 O ATOM 754 CB THR A 50 2.430 7.411 9.211 1.00 0.00 C ATOM 755 OG1 THR A 50 1.932 6.768 8.032 1.00 0.00 O ATOM 756 CG2 THR A 50 3.925 7.654 9.070 1.00 0.00 C ATOM 0 H THR A 50 2.417 4.754 9.399 1.00 0.00 H new ATOM 0 HA THR A 50 2.632 6.976 11.315 1.00 0.00 H new ATOM 0 HB THR A 50 1.933 8.373 9.338 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.125 7.325 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.112 8.268 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.295 8.169 9.956 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.440 6.699 8.963 1.00 0.00 H new ATOM 764 N GLN A 51 -0.007 5.401 10.401 1.00 0.00 N ATOM 765 CA GLN A 51 -1.446 5.260 10.590 1.00 0.00 C ATOM 766 C GLN A 51 -2.210 6.237 9.702 1.00 0.00 C ATOM 767 O GLN A 51 -3.328 6.641 10.023 1.00 0.00 O ATOM 768 CB GLN A 51 -1.814 5.490 12.057 1.00 0.00 C ATOM 769 CG GLN A 51 -1.164 4.500 13.010 1.00 0.00 C ATOM 770 CD GLN A 51 -1.939 4.340 14.303 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.155 4.529 14.338 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.238 3.989 15.374 1.00 0.00 N ATOM 0 H GLN A 51 0.454 4.569 10.031 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.727 4.245 10.307 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.522 6.501 12.342 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.897 5.428 12.165 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.080 3.531 12.519 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.151 4.832 13.237 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.231 3.843 15.299 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.706 3.866 16.272 1.00 0.00 H new ATOM 781 N LYS A 52 -1.600 6.613 8.584 1.00 0.00 N ATOM 782 CA LYS A 52 -2.222 7.542 7.648 1.00 0.00 C ATOM 783 C LYS A 52 -2.961 6.791 6.546 1.00 0.00 C ATOM 784 O LYS A 52 -2.694 5.615 6.295 1.00 0.00 O ATOM 785 CB LYS A 52 -1.165 8.462 7.032 1.00 0.00 C ATOM 786 CG LYS A 52 -0.608 9.486 8.005 1.00 0.00 C ATOM 787 CD LYS A 52 -0.050 10.699 7.280 1.00 0.00 C ATOM 788 CE LYS A 52 1.411 10.501 6.905 1.00 0.00 C ATOM 789 NZ LYS A 52 2.094 11.797 6.635 1.00 0.00 N ATOM 0 H LYS A 52 -0.675 6.289 8.303 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.943 8.145 8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.345 7.854 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.601 8.983 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.393 9.801 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.177 9.028 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.635 10.887 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.148 11.580 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.926 9.980 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.477 9.865 6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.087 11.620 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.618 12.283 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.054 12.394 7.485 1.00 0.00 H new ATOM 803 N PHE A 53 -3.892 7.477 5.889 1.00 0.00 N ATOM 804 CA PHE A 53 -4.669 6.874 4.813 1.00 0.00 C ATOM 805 C PHE A 53 -4.418 7.593 3.491 1.00 0.00 C ATOM 806 O PHE A 53 -4.589 8.807 3.390 1.00 0.00 O ATOM 807 CB PHE A 53 -6.161 6.911 5.151 1.00 0.00 C ATOM 808 CG PHE A 53 -6.997 6.022 4.275 1.00 0.00 C ATOM 809 CD1 PHE A 53 -7.060 6.236 2.907 1.00 0.00 C ATOM 810 CD2 PHE A 53 -7.719 4.972 4.819 1.00 0.00 C ATOM 811 CE1 PHE A 53 -7.828 5.420 2.099 1.00 0.00 C ATOM 812 CE2 PHE A 53 -8.489 4.152 4.016 1.00 0.00 C ATOM 813 CZ PHE A 53 -8.543 4.376 2.654 1.00 0.00 C ATOM 0 H PHE A 53 -4.126 8.451 6.084 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.352 5.836 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.297 6.614 6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.520 7.936 5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.502 7.050 2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.680 4.792 5.883 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.869 5.598 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.048 3.337 4.453 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.143 3.736 2.024 1.00 0.00 H new ATOM 823 N GLY A 54 -4.009 6.833 2.480 1.00 0.00 N ATOM 824 CA GLY A 54 -3.739 7.414 1.177 1.00 0.00 C ATOM 825 C GLY A 54 -3.666 6.370 0.081 1.00 0.00 C ATOM 826 O GLY A 54 -4.235 5.284 0.206 1.00 0.00 O ATOM 0 H GLY A 54 -3.860 5.826 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.519 8.136 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.798 7.963 1.215 1.00 0.00 H new ATOM 830 N THR A 55 -2.966 6.697 -1.001 1.00 0.00 N ATOM 831 CA THR A 55 -2.823 5.781 -2.125 1.00 0.00 C ATOM 832 C THR A 55 -1.354 5.542 -2.457 1.00 0.00 C ATOM 833 O THR A 55 -0.543 6.468 -2.434 1.00 0.00 O ATOM 834 CB THR A 55 -3.540 6.316 -3.380 1.00 0.00 C ATOM 835 OG1 THR A 55 -3.377 5.397 -4.466 1.00 0.00 O ATOM 836 CG2 THR A 55 -2.993 7.679 -3.776 1.00 0.00 C ATOM 0 H THR A 55 -2.489 7.590 -1.122 1.00 0.00 H new ATOM 0 HA THR A 55 -3.283 4.839 -1.825 1.00 0.00 H new ATOM 0 HB THR A 55 -4.600 6.421 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.837 5.743 -5.259 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.514 8.036 -4.664 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.145 8.384 -2.958 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.927 7.595 -3.990 1.00 0.00 H new ATOM 844 N PHE A 56 -1.018 4.294 -2.765 1.00 0.00 N ATOM 845 CA PHE A 56 0.355 3.933 -3.101 1.00 0.00 C ATOM 846 C PHE A 56 0.385 2.882 -4.207 1.00 0.00 C ATOM 847 O PHE A 56 -0.565 2.125 -4.405 1.00 0.00 O ATOM 848 CB PHE A 56 1.084 3.407 -1.862 1.00 0.00 C ATOM 849 CG PHE A 56 0.269 2.441 -1.052 1.00 0.00 C ATOM 850 CD1 PHE A 56 -0.651 2.899 -0.122 1.00 0.00 C ATOM 851 CD2 PHE A 56 0.423 1.074 -1.219 1.00 0.00 C ATOM 852 CE1 PHE A 56 -1.403 2.012 0.625 1.00 0.00 C ATOM 853 CE2 PHE A 56 -0.326 0.182 -0.475 1.00 0.00 C ATOM 854 CZ PHE A 56 -1.239 0.652 0.449 1.00 0.00 C ATOM 0 H PHE A 56 -1.677 3.516 -2.789 1.00 0.00 H new ATOM 0 HA PHE A 56 0.863 4.828 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.007 2.919 -2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.366 4.250 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.782 3.962 0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.137 0.701 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.118 2.382 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.198 -0.881 -0.616 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.824 -0.043 1.033 1.00 0.00 H new ATOM 864 N PRO A 57 1.503 2.835 -4.946 1.00 0.00 N ATOM 865 CA PRO A 57 1.686 1.882 -6.045 1.00 0.00 C ATOM 866 C PRO A 57 1.835 0.447 -5.550 1.00 0.00 C ATOM 867 O PRO A 57 2.780 0.124 -4.831 1.00 0.00 O ATOM 868 CB PRO A 57 2.979 2.354 -6.713 1.00 0.00 C ATOM 869 CG PRO A 57 3.722 3.070 -5.638 1.00 0.00 C ATOM 870 CD PRO A 57 2.676 3.707 -4.766 1.00 0.00 C ATOM 0 HA PRO A 57 0.826 1.863 -6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.555 1.513 -7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.771 3.012 -7.557 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.341 2.380 -5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.390 3.822 -6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.991 3.746 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.466 4.731 -5.074 1.00 0.00 H new ATOM 878 N GLY A 58 0.896 -0.410 -5.939 1.00 0.00 N ATOM 879 CA GLY A 58 0.943 -1.800 -5.525 1.00 0.00 C ATOM 880 C GLY A 58 2.209 -2.498 -5.981 1.00 0.00 C ATOM 881 O GLY A 58 2.514 -3.601 -5.530 1.00 0.00 O ATOM 0 H GLY A 58 0.104 -0.166 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.873 -1.855 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.077 -2.325 -5.928 1.00 0.00 H new ATOM 885 N ASN A 59 2.946 -1.855 -6.881 1.00 0.00 N ATOM 886 CA ASN A 59 4.185 -2.423 -7.400 1.00 0.00 C ATOM 887 C ASN A 59 5.263 -2.456 -6.321 1.00 0.00 C ATOM 888 O ASN A 59 6.299 -3.101 -6.483 1.00 0.00 O ATOM 889 CB ASN A 59 4.676 -1.615 -8.603 1.00 0.00 C ATOM 890 CG ASN A 59 3.649 -1.555 -9.717 1.00 0.00 C ATOM 891 OD1 ASN A 59 3.585 -2.445 -10.566 1.00 0.00 O ATOM 892 ND2 ASN A 59 2.840 -0.502 -9.719 1.00 0.00 N ATOM 0 H ASN A 59 2.707 -0.941 -7.266 1.00 0.00 H new ATOM 0 HA ASN A 59 3.982 -3.446 -7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.919 -0.602 -8.282 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.596 -2.058 -8.984 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.129 -0.406 -10.444 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.929 0.211 -8.995 1.00 0.00 H new ATOM 899 N TYR A 60 5.011 -1.757 -5.220 1.00 0.00 N ATOM 900 CA TYR A 60 5.960 -1.704 -4.114 1.00 0.00 C ATOM 901 C TYR A 60 5.527 -2.628 -2.980 1.00 0.00 C ATOM 902 O TYR A 60 6.354 -3.105 -2.202 1.00 0.00 O ATOM 903 CB TYR A 60 6.093 -0.271 -3.597 1.00 0.00 C ATOM 904 CG TYR A 60 6.905 0.627 -4.503 1.00 0.00 C ATOM 905 CD1 TYR A 60 6.460 0.943 -5.781 1.00 0.00 C ATOM 906 CD2 TYR A 60 8.118 1.158 -4.082 1.00 0.00 C ATOM 907 CE1 TYR A 60 7.198 1.762 -6.612 1.00 0.00 C ATOM 908 CE2 TYR A 60 8.863 1.979 -4.907 1.00 0.00 C ATOM 909 CZ TYR A 60 8.399 2.278 -6.171 1.00 0.00 C ATOM 910 OH TYR A 60 9.138 3.095 -6.996 1.00 0.00 O ATOM 0 H TYR A 60 4.158 -1.219 -5.069 1.00 0.00 H new ATOM 0 HA TYR A 60 6.929 -2.041 -4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.098 0.156 -3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.555 -0.291 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.520 0.541 -6.130 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.485 0.925 -3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.837 1.998 -7.602 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.803 2.384 -4.564 1.00 0.00 H new ATOM 0 HH TYR A 60 9.956 3.374 -6.533 1.00 0.00 H new ATOM 920 N VAL A 61 4.224 -2.877 -2.893 1.00 0.00 N ATOM 921 CA VAL A 61 3.680 -3.745 -1.855 1.00 0.00 C ATOM 922 C VAL A 61 3.174 -5.056 -2.446 1.00 0.00 C ATOM 923 O VAL A 61 3.081 -5.205 -3.664 1.00 0.00 O ATOM 924 CB VAL A 61 2.528 -3.058 -1.097 1.00 0.00 C ATOM 925 CG1 VAL A 61 2.994 -1.739 -0.499 1.00 0.00 C ATOM 926 CG2 VAL A 61 1.337 -2.844 -2.018 1.00 0.00 C ATOM 0 H VAL A 61 3.526 -2.490 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 61 4.491 -3.953 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 61 2.214 -3.709 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.167 -1.268 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.813 -1.924 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.336 -1.079 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.533 -2.358 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.634 -2.214 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.989 -3.807 -2.393 1.00 0.00 H new ATOM 936 N ALA A 62 2.846 -6.004 -1.574 1.00 0.00 N ATOM 937 CA ALA A 62 2.346 -7.302 -2.009 1.00 0.00 C ATOM 938 C ALA A 62 1.506 -7.960 -0.919 1.00 0.00 C ATOM 939 O ALA A 62 1.678 -7.701 0.272 1.00 0.00 O ATOM 940 CB ALA A 62 3.504 -8.207 -2.404 1.00 0.00 C ATOM 0 H ALA A 62 2.918 -5.897 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 62 1.708 -7.146 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.117 -9.173 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.062 -7.748 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.164 -8.348 -1.548 1.00 0.00 H new ATOM 946 N PRO A 63 0.574 -8.831 -1.334 1.00 0.00 N ATOM 947 CA PRO A 63 -0.311 -9.543 -0.409 1.00 0.00 C ATOM 948 C PRO A 63 0.433 -10.585 0.420 1.00 0.00 C ATOM 949 O PRO A 63 0.670 -11.703 -0.037 1.00 0.00 O ATOM 950 CB PRO A 63 -1.322 -10.222 -1.337 1.00 0.00 C ATOM 951 CG PRO A 63 -0.604 -10.373 -2.633 1.00 0.00 C ATOM 952 CD PRO A 63 0.314 -9.187 -2.739 1.00 0.00 C ATOM 0 HA PRO A 63 -0.764 -8.871 0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.634 -11.189 -0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.222 -9.618 -1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.041 -11.306 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.305 -10.399 -3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.234 -9.437 -3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.152 -8.365 -3.282 1.00 0.00 H new ATOM 960 N VAL A 64 0.800 -10.210 1.642 1.00 0.00 N ATOM 961 CA VAL A 64 1.516 -11.113 2.535 1.00 0.00 C ATOM 962 C VAL A 64 0.684 -12.351 2.848 1.00 0.00 C ATOM 963 O VAL A 64 1.225 -13.420 3.130 1.00 0.00 O ATOM 964 CB VAL A 64 1.893 -10.414 3.855 1.00 0.00 C ATOM 965 CG1 VAL A 64 0.764 -9.507 4.320 1.00 0.00 C ATOM 966 CG2 VAL A 64 2.237 -11.442 4.922 1.00 0.00 C ATOM 0 H VAL A 64 0.613 -9.288 2.035 1.00 0.00 H new ATOM 0 HA VAL A 64 2.427 -11.413 2.018 1.00 0.00 H new ATOM 0 HB VAL A 64 2.774 -9.796 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.048 -9.022 5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.570 -8.749 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.137 -10.100 4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.501 -10.931 5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.376 -12.087 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.081 -12.045 4.587 1.00 0.00 H new ATOM 976 N SER A 65 -0.636 -12.200 2.796 1.00 0.00 N ATOM 977 CA SER A 65 -1.544 -13.305 3.078 1.00 0.00 C ATOM 978 C SER A 65 -1.131 -14.557 2.309 1.00 0.00 C ATOM 979 O SER A 65 -1.331 -15.678 2.773 1.00 0.00 O ATOM 980 CB SER A 65 -2.979 -12.919 2.713 1.00 0.00 C ATOM 981 OG SER A 65 -3.643 -12.327 3.816 1.00 0.00 O ATOM 0 H SER A 65 -1.100 -11.323 2.561 1.00 0.00 H new ATOM 0 HA SER A 65 -1.493 -13.522 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.970 -12.223 1.874 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.526 -13.804 2.387 1.00 0.00 H new ATOM 0 HG SER A 65 -4.557 -12.088 3.557 1.00 0.00 H new ATOM 987 N GLY A 66 -0.552 -14.355 1.129 1.00 0.00 N ATOM 988 CA GLY A 66 -0.120 -15.475 0.313 1.00 0.00 C ATOM 989 C GLY A 66 -1.057 -15.742 -0.848 1.00 0.00 C ATOM 990 O GLY A 66 -1.960 -14.957 -1.139 1.00 0.00 O ATOM 0 H GLY A 66 -0.374 -13.436 0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.881 -15.277 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.052 -16.368 0.934 1.00 0.00 H new ATOM 994 N PRO A 67 -0.846 -16.875 -1.534 1.00 0.00 N ATOM 995 CA PRO A 67 -1.668 -17.270 -2.682 1.00 0.00 C ATOM 996 C PRO A 67 -3.083 -17.666 -2.273 1.00 0.00 C ATOM 997 O PRO A 67 -4.058 -17.270 -2.911 1.00 0.00 O ATOM 998 CB PRO A 67 -0.921 -18.476 -3.256 1.00 0.00 C ATOM 999 CG PRO A 67 -0.160 -19.034 -2.103 1.00 0.00 C ATOM 1000 CD PRO A 67 0.211 -17.858 -1.243 1.00 0.00 C ATOM 0 HA PRO A 67 -1.795 -16.453 -3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.613 -19.211 -3.667 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.253 -18.180 -4.065 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.765 -19.749 -1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.729 -19.565 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.232 -18.124 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.199 -17.472 -1.495 1.00 0.00 H new ATOM 1008 N SER A 68 -3.188 -18.449 -1.204 1.00 0.00 N ATOM 1009 CA SER A 68 -4.483 -18.901 -0.711 1.00 0.00 C ATOM 1010 C SER A 68 -5.507 -17.771 -0.758 1.00 0.00 C ATOM 1011 O SER A 68 -5.223 -16.645 -0.351 1.00 0.00 O ATOM 1012 CB SER A 68 -4.353 -19.428 0.719 1.00 0.00 C ATOM 1013 OG SER A 68 -3.284 -20.351 0.828 1.00 0.00 O ATOM 0 H SER A 68 -2.391 -18.784 -0.663 1.00 0.00 H new ATOM 0 HA SER A 68 -4.828 -19.708 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.190 -18.595 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.284 -19.909 1.019 1.00 0.00 H new ATOM 0 HG SER A 68 -3.221 -20.671 1.752 1.00 0.00 H new ATOM 1019 N SER A 69 -6.699 -18.081 -1.258 1.00 0.00 N ATOM 1020 CA SER A 69 -7.765 -17.091 -1.363 1.00 0.00 C ATOM 1021 C SER A 69 -8.329 -16.754 0.014 1.00 0.00 C ATOM 1022 O SER A 69 -8.486 -15.584 0.363 1.00 0.00 O ATOM 1023 CB SER A 69 -8.882 -17.608 -2.272 1.00 0.00 C ATOM 1024 OG SER A 69 -9.299 -18.904 -1.881 1.00 0.00 O ATOM 0 H SER A 69 -6.951 -19.010 -1.597 1.00 0.00 H new ATOM 0 HA SER A 69 -7.344 -16.184 -1.797 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.730 -16.924 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.534 -17.631 -3.305 1.00 0.00 H new ATOM 0 HG SER A 69 -10.014 -19.211 -2.476 1.00 0.00 H new ATOM 1030 N GLY A 70 -8.634 -17.788 0.792 1.00 0.00 N ATOM 1031 CA GLY A 70 -9.178 -17.582 2.121 1.00 0.00 C ATOM 1032 C GLY A 70 -10.688 -17.707 2.155 1.00 0.00 C ATOM 1033 O GLY A 70 -11.247 -18.305 3.075 1.00 0.00 O ATOM 0 H GLY A 70 -8.514 -18.765 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.741 -18.309 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.890 -16.593 2.479 1.00 0.00 H new TER 1037 GLY A 70