USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=16 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 Set 1.1: A 47 SER OG : rot 180:sc= -0.174 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.49 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 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 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 16 TYR OH : rot -166:sc= 0.112 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 20 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.6!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00889 K(o=-0.0089,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.4) USER MOD Single : A 38 CYS SG : rot 180:sc= -0.514 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 35:sc= 0.132 USER MOD Single : A 59 ASN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.424 -6.395 16.041 1.00 0.00 N ATOM 2 CA GLY A 1 -23.591 -5.155 16.776 1.00 0.00 C ATOM 3 C GLY A 1 -22.304 -4.689 17.427 1.00 0.00 C ATOM 4 O GLY A 1 -22.289 -4.337 18.606 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.332 -6.671 15.615 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.716 -6.261 15.291 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.104 -7.143 16.689 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.953 -4.381 16.099 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.354 -5.291 17.543 1.00 0.00 H new ATOM 8 N SER A 2 -21.221 -4.687 16.657 1.00 0.00 N ATOM 9 CA SER A 2 -19.921 -4.266 17.167 1.00 0.00 C ATOM 10 C SER A 2 -19.010 -3.816 16.028 1.00 0.00 C ATOM 11 O SER A 2 -18.908 -4.484 15.000 1.00 0.00 O ATOM 12 CB SER A 2 -19.260 -5.407 17.943 1.00 0.00 C ATOM 13 OG SER A 2 -19.656 -5.394 19.304 1.00 0.00 O ATOM 0 H SER A 2 -21.218 -4.972 15.678 1.00 0.00 H new ATOM 0 HA SER A 2 -20.078 -3.422 17.839 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.529 -6.362 17.492 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.176 -5.317 17.875 1.00 0.00 H new ATOM 0 HG SER A 2 -20.573 -5.055 19.375 1.00 0.00 H new ATOM 19 N SER A 3 -18.351 -2.678 16.221 1.00 0.00 N ATOM 20 CA SER A 3 -17.452 -2.135 15.210 1.00 0.00 C ATOM 21 C SER A 3 -16.436 -3.183 14.767 1.00 0.00 C ATOM 22 O SER A 3 -16.246 -4.200 15.433 1.00 0.00 O ATOM 23 CB SER A 3 -16.726 -0.902 15.752 1.00 0.00 C ATOM 24 OG SER A 3 -17.615 0.192 15.895 1.00 0.00 O ATOM 0 H SER A 3 -18.423 -2.114 17.068 1.00 0.00 H new ATOM 0 HA SER A 3 -18.050 -1.846 14.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.275 -1.136 16.716 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.914 -0.629 15.078 1.00 0.00 H new ATOM 0 HG SER A 3 -17.127 0.967 16.244 1.00 0.00 H new ATOM 30 N GLY A 4 -15.784 -2.927 13.637 1.00 0.00 N ATOM 31 CA GLY A 4 -14.796 -3.857 13.123 1.00 0.00 C ATOM 32 C GLY A 4 -14.013 -3.286 11.958 1.00 0.00 C ATOM 33 O GLY A 4 -14.591 -2.723 11.028 1.00 0.00 O ATOM 0 H GLY A 4 -15.923 -2.092 13.068 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.106 -4.128 13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.294 -4.774 12.807 1.00 0.00 H new ATOM 37 N SER A 5 -12.692 -3.429 12.007 1.00 0.00 N ATOM 38 CA SER A 5 -11.828 -2.918 10.950 1.00 0.00 C ATOM 39 C SER A 5 -11.508 -4.010 9.934 1.00 0.00 C ATOM 40 O SER A 5 -10.990 -5.069 10.287 1.00 0.00 O ATOM 41 CB SER A 5 -10.532 -2.364 11.545 1.00 0.00 C ATOM 42 OG SER A 5 -10.710 -1.037 12.010 1.00 0.00 O ATOM 0 H SER A 5 -12.197 -3.895 12.768 1.00 0.00 H new ATOM 0 HA SER A 5 -12.358 -2.114 10.439 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.205 -3.000 12.368 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.744 -2.386 10.792 1.00 0.00 H new ATOM 0 HG SER A 5 -9.868 -0.707 12.387 1.00 0.00 H new ATOM 48 N SER A 6 -11.822 -3.743 8.670 1.00 0.00 N ATOM 49 CA SER A 6 -11.572 -4.704 7.601 1.00 0.00 C ATOM 50 C SER A 6 -10.353 -4.297 6.779 1.00 0.00 C ATOM 51 O SER A 6 -9.814 -3.204 6.946 1.00 0.00 O ATOM 52 CB SER A 6 -12.798 -4.818 6.694 1.00 0.00 C ATOM 53 OG SER A 6 -13.861 -5.483 7.354 1.00 0.00 O ATOM 0 H SER A 6 -12.250 -2.870 8.361 1.00 0.00 H new ATOM 0 HA SER A 6 -11.374 -5.674 8.056 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.122 -3.823 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.533 -5.360 5.786 1.00 0.00 H new ATOM 0 HG SER A 6 -14.633 -5.541 6.754 1.00 0.00 H new ATOM 59 N GLY A 7 -9.923 -5.188 5.891 1.00 0.00 N ATOM 60 CA GLY A 7 -8.770 -4.905 5.055 1.00 0.00 C ATOM 61 C GLY A 7 -7.790 -6.060 5.009 1.00 0.00 C ATOM 62 O GLY A 7 -7.571 -6.740 6.013 1.00 0.00 O ATOM 0 H GLY A 7 -10.352 -6.100 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.106 -4.677 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.262 -4.016 5.430 1.00 0.00 H new ATOM 66 N THR A 8 -7.198 -6.286 3.841 1.00 0.00 N ATOM 67 CA THR A 8 -6.238 -7.369 3.667 1.00 0.00 C ATOM 68 C THR A 8 -4.824 -6.909 4.001 1.00 0.00 C ATOM 69 O THR A 8 -4.408 -5.802 3.658 1.00 0.00 O ATOM 70 CB THR A 8 -6.262 -7.915 2.226 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.548 -8.472 1.934 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.188 -8.974 2.031 1.00 0.00 C ATOM 0 H THR A 8 -7.367 -5.733 3.001 1.00 0.00 H new ATOM 0 HA THR A 8 -6.530 -8.164 4.353 1.00 0.00 H new ATOM 0 HB THR A 8 -6.062 -7.088 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.555 -8.815 1.016 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.224 -9.345 1.007 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.208 -8.538 2.225 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.361 -9.799 2.722 1.00 0.00 H new ATOM 80 N PRO A 9 -4.065 -7.777 4.686 1.00 0.00 N ATOM 81 CA PRO A 9 -2.684 -7.482 5.080 1.00 0.00 C ATOM 82 C PRO A 9 -1.736 -7.444 3.887 1.00 0.00 C ATOM 83 O PRO A 9 -1.904 -8.192 2.924 1.00 0.00 O ATOM 84 CB PRO A 9 -2.325 -8.643 6.012 1.00 0.00 C ATOM 85 CG PRO A 9 -3.217 -9.758 5.587 1.00 0.00 C ATOM 86 CD PRO A 9 -4.496 -9.114 5.128 1.00 0.00 C ATOM 0 HA PRO A 9 -2.594 -6.500 5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.275 -8.918 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.491 -8.379 7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.762 -10.337 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.401 -10.446 6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.960 -9.675 4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.228 -9.054 5.934 1.00 0.00 H new ATOM 94 N TYR A 10 -0.739 -6.568 3.957 1.00 0.00 N ATOM 95 CA TYR A 10 0.235 -6.432 2.881 1.00 0.00 C ATOM 96 C TYR A 10 1.620 -6.113 3.437 1.00 0.00 C ATOM 97 O TYR A 10 1.777 -5.853 4.630 1.00 0.00 O ATOM 98 CB TYR A 10 -0.200 -5.335 1.907 1.00 0.00 C ATOM 99 CG TYR A 10 -1.080 -5.837 0.784 1.00 0.00 C ATOM 100 CD1 TYR A 10 -2.409 -6.173 1.014 1.00 0.00 C ATOM 101 CD2 TYR A 10 -0.583 -5.976 -0.506 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.216 -6.633 -0.009 1.00 0.00 C ATOM 103 CE2 TYR A 10 -1.383 -6.434 -1.534 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.699 -6.761 -1.281 1.00 0.00 C ATOM 105 OH TYR A 10 -3.499 -7.218 -2.303 1.00 0.00 O ATOM 0 H TYR A 10 -0.585 -5.942 4.747 1.00 0.00 H new ATOM 0 HA TYR A 10 0.286 -7.382 2.349 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.735 -4.562 2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.687 -4.866 1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.818 -6.073 2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.447 -5.721 -0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.246 -6.891 0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.980 -6.536 -2.531 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.982 -7.248 -3.135 1.00 0.00 H new ATOM 115 N ARG A 11 2.620 -6.136 2.563 1.00 0.00 N ATOM 116 CA ARG A 11 3.993 -5.851 2.965 1.00 0.00 C ATOM 117 C ARG A 11 4.725 -5.067 1.880 1.00 0.00 C ATOM 118 O ARG A 11 4.666 -5.415 0.701 1.00 0.00 O ATOM 119 CB ARG A 11 4.741 -7.152 3.262 1.00 0.00 C ATOM 120 CG ARG A 11 6.222 -6.954 3.537 1.00 0.00 C ATOM 121 CD ARG A 11 6.487 -6.713 5.015 1.00 0.00 C ATOM 122 NE ARG A 11 7.856 -7.058 5.389 1.00 0.00 N ATOM 123 CZ ARG A 11 8.271 -7.160 6.647 1.00 0.00 C ATOM 124 NH1 ARG A 11 7.427 -6.944 7.646 1.00 0.00 N ATOM 125 NH2 ARG A 11 9.533 -7.478 6.907 1.00 0.00 N ATOM 0 H ARG A 11 2.506 -6.349 1.572 1.00 0.00 H new ATOM 0 HA ARG A 11 3.962 -5.244 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.282 -7.637 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.625 -7.829 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.775 -7.833 3.206 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.591 -6.108 2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.300 -5.665 5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.789 -7.303 5.609 1.00 0.00 H new ATOM 0 HE ARG A 11 8.531 -7.230 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.457 -6.699 7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.748 -7.023 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.185 -7.644 6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.851 -7.556 7.873 1.00 0.00 H new ATOM 139 N ALA A 12 5.415 -4.006 2.287 1.00 0.00 N ATOM 140 CA ALA A 12 6.160 -3.174 1.351 1.00 0.00 C ATOM 141 C ALA A 12 7.485 -3.826 0.971 1.00 0.00 C ATOM 142 O ALA A 12 8.423 -3.855 1.767 1.00 0.00 O ATOM 143 CB ALA A 12 6.399 -1.794 1.946 1.00 0.00 C ATOM 0 H ALA A 12 5.473 -3.703 3.259 1.00 0.00 H new ATOM 0 HA ALA A 12 5.565 -3.068 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.957 -1.183 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.441 -1.319 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.970 -1.890 2.869 1.00 0.00 H new ATOM 149 N MET A 13 7.554 -4.348 -0.249 1.00 0.00 N ATOM 150 CA MET A 13 8.766 -4.999 -0.734 1.00 0.00 C ATOM 151 C MET A 13 9.920 -4.006 -0.818 1.00 0.00 C ATOM 152 O MET A 13 11.077 -4.363 -0.594 1.00 0.00 O ATOM 153 CB MET A 13 8.518 -5.629 -2.106 1.00 0.00 C ATOM 154 CG MET A 13 7.357 -6.610 -2.123 1.00 0.00 C ATOM 155 SD MET A 13 7.542 -7.883 -3.386 1.00 0.00 S ATOM 156 CE MET A 13 6.799 -7.070 -4.798 1.00 0.00 C ATOM 0 H MET A 13 6.786 -4.333 -0.920 1.00 0.00 H new ATOM 0 HA MET A 13 9.036 -5.783 -0.026 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.325 -4.838 -2.831 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.423 -6.144 -2.429 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.272 -7.084 -1.145 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.429 -6.065 -2.295 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.838 -7.734 -5.662 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.760 -6.827 -4.573 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.346 -6.154 -5.020 1.00 0.00 H new ATOM 166 N TYR A 14 9.599 -2.759 -1.143 1.00 0.00 N ATOM 167 CA TYR A 14 10.610 -1.715 -1.260 1.00 0.00 C ATOM 168 C TYR A 14 10.113 -0.405 -0.655 1.00 0.00 C ATOM 169 O TYR A 14 8.922 -0.101 -0.701 1.00 0.00 O ATOM 170 CB TYR A 14 10.985 -1.501 -2.727 1.00 0.00 C ATOM 171 CG TYR A 14 10.905 -2.759 -3.562 1.00 0.00 C ATOM 172 CD1 TYR A 14 11.893 -3.733 -3.484 1.00 0.00 C ATOM 173 CD2 TYR A 14 9.841 -2.974 -4.430 1.00 0.00 C ATOM 174 CE1 TYR A 14 11.824 -4.884 -4.245 1.00 0.00 C ATOM 175 CE2 TYR A 14 9.763 -4.122 -5.194 1.00 0.00 C ATOM 176 CZ TYR A 14 10.756 -5.074 -5.098 1.00 0.00 C ATOM 177 OH TYR A 14 10.683 -6.219 -5.858 1.00 0.00 O ATOM 0 H TYR A 14 8.646 -2.446 -1.330 1.00 0.00 H new ATOM 0 HA TYR A 14 11.494 -2.037 -0.709 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.324 -0.748 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.999 -1.104 -2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.730 -3.588 -2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.062 -2.230 -4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.601 -5.630 -4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.929 -4.273 -5.863 1.00 0.00 H new ATOM 0 HH TYR A 14 9.869 -6.198 -6.404 1.00 0.00 H new ATOM 187 N GLN A 15 11.037 0.365 -0.089 1.00 0.00 N ATOM 188 CA GLN A 15 10.693 1.642 0.526 1.00 0.00 C ATOM 189 C GLN A 15 10.211 2.639 -0.523 1.00 0.00 C ATOM 190 O GLN A 15 10.748 2.699 -1.630 1.00 0.00 O ATOM 191 CB GLN A 15 11.900 2.213 1.273 1.00 0.00 C ATOM 192 CG GLN A 15 11.631 3.562 1.921 1.00 0.00 C ATOM 193 CD GLN A 15 12.905 4.320 2.239 1.00 0.00 C ATOM 194 OE1 GLN A 15 13.858 3.757 2.780 1.00 0.00 O ATOM 195 NE2 GLN A 15 12.929 5.605 1.906 1.00 0.00 N ATOM 0 H GLN A 15 12.028 0.127 -0.044 1.00 0.00 H new ATOM 0 HA GLN A 15 9.884 1.469 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.209 1.505 2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.733 2.313 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.011 4.163 1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.062 3.413 2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.117 6.031 1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.759 6.166 2.097 1.00 0.00 H new ATOM 204 N TYR A 16 9.197 3.419 -0.168 1.00 0.00 N ATOM 205 CA TYR A 16 8.641 4.412 -1.080 1.00 0.00 C ATOM 206 C TYR A 16 8.722 5.811 -0.478 1.00 0.00 C ATOM 207 O TYR A 16 8.660 5.979 0.740 1.00 0.00 O ATOM 208 CB TYR A 16 7.187 4.072 -1.413 1.00 0.00 C ATOM 209 CG TYR A 16 6.540 5.048 -2.370 1.00 0.00 C ATOM 210 CD1 TYR A 16 6.820 5.007 -3.730 1.00 0.00 C ATOM 211 CD2 TYR A 16 5.649 6.011 -1.913 1.00 0.00 C ATOM 212 CE1 TYR A 16 6.232 5.897 -4.607 1.00 0.00 C ATOM 213 CE2 TYR A 16 5.055 6.904 -2.783 1.00 0.00 C ATOM 214 CZ TYR A 16 5.350 6.844 -4.129 1.00 0.00 C ATOM 215 OH TYR A 16 4.761 7.732 -5.000 1.00 0.00 O ATOM 0 H TYR A 16 8.743 3.383 0.745 1.00 0.00 H new ATOM 0 HA TYR A 16 9.231 4.396 -1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.146 3.072 -1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.609 4.044 -0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.509 4.266 -4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.417 6.062 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.461 5.852 -5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.363 7.645 -2.411 1.00 0.00 H new ATOM 0 HH TYR A 16 4.349 8.463 -4.493 1.00 0.00 H new ATOM 225 N ARG A 17 8.861 6.813 -1.341 1.00 0.00 N ATOM 226 CA ARG A 17 8.951 8.198 -0.895 1.00 0.00 C ATOM 227 C ARG A 17 7.844 9.043 -1.519 1.00 0.00 C ATOM 228 O ARG A 17 7.970 9.550 -2.634 1.00 0.00 O ATOM 229 CB ARG A 17 10.318 8.783 -1.254 1.00 0.00 C ATOM 230 CG ARG A 17 11.364 8.600 -0.166 1.00 0.00 C ATOM 231 CD ARG A 17 12.370 9.740 -0.163 1.00 0.00 C ATOM 232 NE ARG A 17 11.742 11.023 0.142 1.00 0.00 N ATOM 233 CZ ARG A 17 12.269 12.197 -0.188 1.00 0.00 C ATOM 234 NH1 ARG A 17 13.428 12.249 -0.832 1.00 0.00 N ATOM 235 NH2 ARG A 17 11.638 13.321 0.124 1.00 0.00 N ATOM 0 H ARG A 17 8.914 6.691 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 17 8.829 8.214 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.675 8.315 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.205 9.847 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.874 8.544 0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.885 7.654 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.149 9.534 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.856 9.797 -1.137 1.00 0.00 H new ATOM 0 HE ARG A 17 10.849 11.017 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.916 11.387 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.831 13.151 -1.085 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.746 13.285 0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.044 14.221 -0.130 1.00 0.00 H new ATOM 249 N PRO A 18 6.733 9.198 -0.784 1.00 0.00 N ATOM 250 CA PRO A 18 5.582 9.981 -1.245 1.00 0.00 C ATOM 251 C PRO A 18 5.879 11.476 -1.291 1.00 0.00 C ATOM 252 O PRO A 18 6.220 12.081 -0.274 1.00 0.00 O ATOM 253 CB PRO A 18 4.506 9.681 -0.198 1.00 0.00 C ATOM 254 CG PRO A 18 5.265 9.312 1.029 1.00 0.00 C ATOM 255 CD PRO A 18 6.514 8.622 0.553 1.00 0.00 C ATOM 0 HA PRO A 18 5.291 9.718 -2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.870 10.549 -0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.855 8.868 -0.521 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.508 10.196 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.676 8.655 1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.357 8.814 1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.384 7.541 0.508 1.00 0.00 H new ATOM 263 N GLN A 19 5.746 12.065 -2.474 1.00 0.00 N ATOM 264 CA GLN A 19 6.001 13.490 -2.651 1.00 0.00 C ATOM 265 C GLN A 19 4.716 14.296 -2.490 1.00 0.00 C ATOM 266 O GLN A 19 4.725 15.522 -2.595 1.00 0.00 O ATOM 267 CB GLN A 19 6.614 13.754 -4.027 1.00 0.00 C ATOM 268 CG GLN A 19 5.708 13.360 -5.182 1.00 0.00 C ATOM 269 CD GLN A 19 6.385 13.507 -6.531 1.00 0.00 C ATOM 270 OE1 GLN A 19 7.528 13.086 -6.714 1.00 0.00 O ATOM 271 NE2 GLN A 19 5.682 14.106 -7.485 1.00 0.00 N ATOM 0 H GLN A 19 5.463 11.578 -3.325 1.00 0.00 H new ATOM 0 HA GLN A 19 6.706 13.806 -1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.856 14.814 -4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.552 13.206 -4.109 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.388 12.326 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.810 13.977 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.738 14.440 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.086 14.232 -8.413 1.00 0.00 H new ATOM 280 N ASN A 20 3.613 13.599 -2.237 1.00 0.00 N ATOM 281 CA ASN A 20 2.320 14.251 -2.063 1.00 0.00 C ATOM 282 C ASN A 20 1.702 13.882 -0.718 1.00 0.00 C ATOM 283 O ASN A 20 2.284 13.123 0.056 1.00 0.00 O ATOM 284 CB ASN A 20 1.372 13.859 -3.198 1.00 0.00 C ATOM 285 CG ASN A 20 0.254 14.865 -3.391 1.00 0.00 C ATOM 286 OD1 ASN A 20 0.441 16.064 -3.186 1.00 0.00 O ATOM 287 ND2 ASN A 20 -0.917 14.380 -3.787 1.00 0.00 N ATOM 0 H ASN A 20 3.589 12.583 -2.148 1.00 0.00 H new ATOM 0 HA ASN A 20 2.478 15.329 -2.086 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.938 13.767 -4.125 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.943 12.879 -2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.706 15.009 -3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.027 13.378 -3.945 1.00 0.00 H new ATOM 294 N GLU A 21 0.519 14.425 -0.448 1.00 0.00 N ATOM 295 CA GLU A 21 -0.178 14.153 0.804 1.00 0.00 C ATOM 296 C GLU A 21 -1.227 13.061 0.616 1.00 0.00 C ATOM 297 O GLU A 21 -1.677 12.446 1.583 1.00 0.00 O ATOM 298 CB GLU A 21 -0.842 15.427 1.331 1.00 0.00 C ATOM 299 CG GLU A 21 -1.308 15.319 2.773 1.00 0.00 C ATOM 300 CD GLU A 21 -1.924 16.606 3.286 1.00 0.00 C ATOM 301 OE1 GLU A 21 -1.556 17.684 2.773 1.00 0.00 O ATOM 302 OE2 GLU A 21 -2.773 16.536 4.198 1.00 0.00 O ATOM 0 H GLU A 21 0.024 15.055 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 21 0.556 13.807 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.138 16.255 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.696 15.669 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.038 14.513 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.462 15.049 3.405 1.00 0.00 H new ATOM 309 N ASP A 22 -1.611 12.826 -0.634 1.00 0.00 N ATOM 310 CA ASP A 22 -2.606 11.808 -0.949 1.00 0.00 C ATOM 311 C ASP A 22 -1.949 10.443 -1.128 1.00 0.00 C ATOM 312 O ASP A 22 -2.592 9.486 -1.558 1.00 0.00 O ATOM 313 CB ASP A 22 -3.372 12.189 -2.217 1.00 0.00 C ATOM 314 CG ASP A 22 -4.414 13.261 -1.964 1.00 0.00 C ATOM 315 OD1 ASP A 22 -4.025 14.401 -1.634 1.00 0.00 O ATOM 316 OD2 ASP A 22 -5.618 12.960 -2.097 1.00 0.00 O ATOM 0 H ASP A 22 -1.248 13.327 -1.445 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.305 11.748 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.668 12.541 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.858 11.303 -2.624 1.00 0.00 H new ATOM 321 N GLU A 23 -0.664 10.362 -0.796 1.00 0.00 N ATOM 322 CA GLU A 23 0.079 9.114 -0.922 1.00 0.00 C ATOM 323 C GLU A 23 0.567 8.631 0.441 1.00 0.00 C ATOM 324 O GLU A 23 0.865 9.434 1.327 1.00 0.00 O ATOM 325 CB GLU A 23 1.270 9.297 -1.866 1.00 0.00 C ATOM 326 CG GLU A 23 0.887 9.855 -3.226 1.00 0.00 C ATOM 327 CD GLU A 23 2.014 9.753 -4.236 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.128 10.228 -3.931 1.00 0.00 O ATOM 329 OE2 GLU A 23 1.782 9.200 -5.331 1.00 0.00 O ATOM 0 H GLU A 23 -0.117 11.145 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.592 8.362 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.994 9.965 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.765 8.336 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.016 9.318 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.595 10.899 -3.117 1.00 0.00 H new ATOM 336 N LEU A 24 0.644 7.315 0.603 1.00 0.00 N ATOM 337 CA LEU A 24 1.094 6.723 1.858 1.00 0.00 C ATOM 338 C LEU A 24 2.543 6.257 1.751 1.00 0.00 C ATOM 339 O LEU A 24 2.913 5.563 0.805 1.00 0.00 O ATOM 340 CB LEU A 24 0.195 5.547 2.242 1.00 0.00 C ATOM 341 CG LEU A 24 0.247 5.113 3.707 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.335 6.193 4.605 1.00 0.00 C ATOM 343 CD2 LEU A 24 -0.496 3.799 3.900 1.00 0.00 C ATOM 0 H LEU A 24 0.401 6.637 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 24 1.033 7.486 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.835 5.808 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.463 4.692 1.621 1.00 0.00 H new ATOM 0 HG LEU A 24 1.290 4.962 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.289 5.866 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.240 7.112 4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.373 6.376 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.449 3.505 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.538 3.923 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.034 3.026 3.285 1.00 0.00 H new ATOM 355 N GLU A 25 3.357 6.642 2.730 1.00 0.00 N ATOM 356 CA GLU A 25 4.764 6.261 2.746 1.00 0.00 C ATOM 357 C GLU A 25 4.927 4.795 3.137 1.00 0.00 C ATOM 358 O GLU A 25 4.138 4.257 3.915 1.00 0.00 O ATOM 359 CB GLU A 25 5.545 7.150 3.716 1.00 0.00 C ATOM 360 CG GLU A 25 7.051 7.082 3.527 1.00 0.00 C ATOM 361 CD GLU A 25 7.792 8.088 4.385 1.00 0.00 C ATOM 362 OE1 GLU A 25 7.306 8.397 5.493 1.00 0.00 O ATOM 363 OE2 GLU A 25 8.861 8.566 3.949 1.00 0.00 O ATOM 0 H GLU A 25 3.066 7.217 3.521 1.00 0.00 H new ATOM 0 HA GLU A 25 5.162 6.396 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.218 8.182 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.302 6.859 4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.399 6.078 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.290 7.258 2.478 1.00 0.00 H new ATOM 370 N LEU A 26 5.956 4.155 2.593 1.00 0.00 N ATOM 371 CA LEU A 26 6.224 2.751 2.884 1.00 0.00 C ATOM 372 C LEU A 26 7.719 2.506 3.059 1.00 0.00 C ATOM 373 O LEU A 26 8.545 3.234 2.508 1.00 0.00 O ATOM 374 CB LEU A 26 5.678 1.864 1.764 1.00 0.00 C ATOM 375 CG LEU A 26 4.222 2.108 1.363 1.00 0.00 C ATOM 376 CD1 LEU A 26 3.961 1.590 -0.043 1.00 0.00 C ATOM 377 CD2 LEU A 26 3.278 1.452 2.359 1.00 0.00 C ATOM 0 H LEU A 26 6.618 4.586 1.948 1.00 0.00 H new ATOM 0 HA LEU A 26 5.722 2.497 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.304 2.000 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.780 0.823 2.070 1.00 0.00 H new ATOM 0 HG LEU A 26 4.038 3.182 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.920 1.772 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.613 2.106 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.163 0.519 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.247 1.636 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.463 0.378 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.447 1.871 3.351 1.00 0.00 H new ATOM 389 N ARG A 27 8.059 1.477 3.827 1.00 0.00 N ATOM 390 CA ARG A 27 9.455 1.136 4.074 1.00 0.00 C ATOM 391 C ARG A 27 9.707 -0.346 3.814 1.00 0.00 C ATOM 392 O ARG A 27 8.780 -1.156 3.838 1.00 0.00 O ATOM 393 CB ARG A 27 9.842 1.486 5.512 1.00 0.00 C ATOM 394 CG ARG A 27 10.376 2.899 5.672 1.00 0.00 C ATOM 395 CD ARG A 27 9.251 3.922 5.689 1.00 0.00 C ATOM 396 NE ARG A 27 8.646 4.048 7.012 1.00 0.00 N ATOM 397 CZ ARG A 27 7.908 5.087 7.387 1.00 0.00 C ATOM 398 NH1 ARG A 27 7.686 6.086 6.544 1.00 0.00 N ATOM 399 NH2 ARG A 27 7.391 5.130 8.609 1.00 0.00 N ATOM 0 H ARG A 27 7.387 0.864 4.289 1.00 0.00 H new ATOM 0 HA ARG A 27 10.071 1.717 3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.970 1.361 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.597 0.780 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.948 2.970 6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.062 3.124 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.637 4.891 5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.487 3.633 4.967 1.00 0.00 H new ATOM 0 HE ARG A 27 8.798 3.297 7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.082 6.058 5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.119 6.882 6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.560 4.365 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.825 5.929 8.895 1.00 0.00 H new ATOM 413 N GLU A 28 10.966 -0.693 3.566 1.00 0.00 N ATOM 414 CA GLU A 28 11.338 -2.078 3.301 1.00 0.00 C ATOM 415 C GLU A 28 11.200 -2.929 4.560 1.00 0.00 C ATOM 416 O GLU A 28 11.989 -2.807 5.495 1.00 0.00 O ATOM 417 CB GLU A 28 12.774 -2.152 2.777 1.00 0.00 C ATOM 418 CG GLU A 28 13.151 -3.517 2.226 1.00 0.00 C ATOM 419 CD GLU A 28 14.651 -3.719 2.144 1.00 0.00 C ATOM 420 OE1 GLU A 28 15.267 -4.027 3.186 1.00 0.00 O ATOM 421 OE2 GLU A 28 15.210 -3.569 1.037 1.00 0.00 O ATOM 0 H GLU A 28 11.745 -0.035 3.543 1.00 0.00 H new ATOM 0 HA GLU A 28 10.661 -2.470 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.905 -1.405 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.460 -1.893 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.718 -4.292 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.717 -3.636 1.233 1.00 0.00 H new ATOM 428 N GLY A 29 10.189 -3.793 4.576 1.00 0.00 N ATOM 429 CA GLY A 29 9.964 -4.651 5.724 1.00 0.00 C ATOM 430 C GLY A 29 8.882 -4.120 6.643 1.00 0.00 C ATOM 431 O GLY A 29 9.008 -4.187 7.865 1.00 0.00 O ATOM 0 H GLY A 29 9.522 -3.914 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.687 -5.647 5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.893 -4.754 6.284 1.00 0.00 H new ATOM 435 N ASP A 30 7.817 -3.587 6.053 1.00 0.00 N ATOM 436 CA ASP A 30 6.708 -3.041 6.827 1.00 0.00 C ATOM 437 C ASP A 30 5.373 -3.561 6.306 1.00 0.00 C ATOM 438 O ASP A 30 5.200 -3.761 5.103 1.00 0.00 O ATOM 439 CB ASP A 30 6.729 -1.512 6.778 1.00 0.00 C ATOM 440 CG ASP A 30 7.589 -0.909 7.871 1.00 0.00 C ATOM 441 OD1 ASP A 30 7.100 -0.793 9.014 1.00 0.00 O ATOM 442 OD2 ASP A 30 8.751 -0.552 7.583 1.00 0.00 O ATOM 0 H ASP A 30 7.699 -3.522 5.042 1.00 0.00 H new ATOM 0 HA ASP A 30 6.824 -3.366 7.861 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.102 -1.188 5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.711 -1.134 6.871 1.00 0.00 H new ATOM 447 N ARG A 31 4.431 -3.780 7.218 1.00 0.00 N ATOM 448 CA ARG A 31 3.112 -4.279 6.850 1.00 0.00 C ATOM 449 C ARG A 31 2.243 -3.157 6.289 1.00 0.00 C ATOM 450 O ARG A 31 2.552 -1.977 6.454 1.00 0.00 O ATOM 451 CB ARG A 31 2.427 -4.912 8.062 1.00 0.00 C ATOM 452 CG ARG A 31 3.252 -6.001 8.729 1.00 0.00 C ATOM 453 CD ARG A 31 3.537 -7.148 7.773 1.00 0.00 C ATOM 454 NE ARG A 31 3.684 -8.421 8.473 1.00 0.00 N ATOM 455 CZ ARG A 31 4.092 -9.541 7.886 1.00 0.00 C ATOM 456 NH1 ARG A 31 4.391 -9.544 6.594 1.00 0.00 N ATOM 457 NH2 ARG A 31 4.200 -10.660 8.591 1.00 0.00 N ATOM 0 H ARG A 31 4.557 -3.619 8.217 1.00 0.00 H new ATOM 0 HA ARG A 31 3.240 -5.037 6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.210 -4.134 8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.471 -5.332 7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.192 -5.580 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.721 -6.378 9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.727 -7.225 7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.448 -6.935 7.213 1.00 0.00 H new ATOM 0 HE ARG A 31 3.461 -8.452 9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.308 -8.686 6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.704 -10.405 6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.970 -10.661 9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.513 -11.519 8.139 1.00 0.00 H new ATOM 471 N VAL A 32 1.154 -3.534 5.626 1.00 0.00 N ATOM 472 CA VAL A 32 0.240 -2.561 5.041 1.00 0.00 C ATOM 473 C VAL A 32 -1.178 -3.116 4.964 1.00 0.00 C ATOM 474 O VAL A 32 -1.385 -4.266 4.575 1.00 0.00 O ATOM 475 CB VAL A 32 0.693 -2.142 3.630 1.00 0.00 C ATOM 476 CG1 VAL A 32 0.163 -0.758 3.287 1.00 0.00 C ATOM 477 CG2 VAL A 32 2.210 -2.183 3.524 1.00 0.00 C ATOM 0 H VAL A 32 0.884 -4.507 5.481 1.00 0.00 H new ATOM 0 HA VAL A 32 0.250 -1.687 5.692 1.00 0.00 H new ATOM 0 HB VAL A 32 0.282 -2.850 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.494 -0.479 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.926 -0.767 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.542 -0.034 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.513 -1.884 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.644 -1.499 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.561 -3.196 3.722 1.00 0.00 H new ATOM 487 N ASP A 33 -2.151 -2.291 5.335 1.00 0.00 N ATOM 488 CA ASP A 33 -3.551 -2.699 5.307 1.00 0.00 C ATOM 489 C ASP A 33 -4.247 -2.164 4.060 1.00 0.00 C ATOM 490 O ASP A 33 -4.599 -0.986 3.989 1.00 0.00 O ATOM 491 CB ASP A 33 -4.273 -2.205 6.561 1.00 0.00 C ATOM 492 CG ASP A 33 -3.727 -2.832 7.829 1.00 0.00 C ATOM 493 OD1 ASP A 33 -3.432 -4.045 7.811 1.00 0.00 O ATOM 494 OD2 ASP A 33 -3.595 -2.109 8.839 1.00 0.00 O ATOM 0 H ASP A 33 -1.996 -1.336 5.659 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.587 -3.788 5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.181 -1.121 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.336 -2.430 6.477 1.00 0.00 H new ATOM 499 N VAL A 34 -4.442 -3.037 3.076 1.00 0.00 N ATOM 500 CA VAL A 34 -5.097 -2.652 1.831 1.00 0.00 C ATOM 501 C VAL A 34 -6.611 -2.788 1.942 1.00 0.00 C ATOM 502 O VAL A 34 -7.123 -3.837 2.331 1.00 0.00 O ATOM 503 CB VAL A 34 -4.600 -3.507 0.650 1.00 0.00 C ATOM 504 CG1 VAL A 34 -5.562 -3.404 -0.525 1.00 0.00 C ATOM 505 CG2 VAL A 34 -3.198 -3.084 0.240 1.00 0.00 C ATOM 0 H VAL A 34 -4.156 -4.015 3.117 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.842 -1.608 1.647 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.562 -4.549 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.195 -4.014 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.547 -3.759 -0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.634 -2.365 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.862 -3.698 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.207 -2.036 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.518 -3.214 1.082 1.00 0.00 H new ATOM 515 N MET A 35 -7.322 -1.720 1.596 1.00 0.00 N ATOM 516 CA MET A 35 -8.779 -1.721 1.655 1.00 0.00 C ATOM 517 C MET A 35 -9.380 -1.622 0.256 1.00 0.00 C ATOM 518 O MET A 35 -10.186 -2.462 -0.143 1.00 0.00 O ATOM 519 CB MET A 35 -9.277 -0.561 2.519 1.00 0.00 C ATOM 520 CG MET A 35 -8.906 -0.694 3.987 1.00 0.00 C ATOM 521 SD MET A 35 -9.442 0.720 4.970 1.00 0.00 S ATOM 522 CE MET A 35 -8.425 0.522 6.431 1.00 0.00 C ATOM 0 H MET A 35 -6.913 -0.843 1.272 1.00 0.00 H new ATOM 0 HA MET A 35 -9.098 -2.662 2.103 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.867 0.372 2.132 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.361 -0.493 2.431 1.00 0.00 H new ATOM 0 HG2 MET A 35 -9.354 -1.602 4.390 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.825 -0.805 4.076 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.642 1.324 7.137 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.641 -0.439 6.897 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.373 0.561 6.150 1.00 0.00 H new ATOM 532 N GLN A 36 -8.981 -0.592 -0.483 1.00 0.00 N ATOM 533 CA GLN A 36 -9.481 -0.385 -1.837 1.00 0.00 C ATOM 534 C GLN A 36 -8.360 -0.531 -2.860 1.00 0.00 C ATOM 535 O GLN A 36 -7.184 -0.378 -2.531 1.00 0.00 O ATOM 536 CB GLN A 36 -10.123 0.998 -1.960 1.00 0.00 C ATOM 537 CG GLN A 36 -10.564 1.341 -3.374 1.00 0.00 C ATOM 538 CD GLN A 36 -11.036 2.776 -3.506 1.00 0.00 C ATOM 539 OE1 GLN A 36 -10.733 3.621 -2.664 1.00 0.00 O ATOM 540 NE2 GLN A 36 -11.782 3.058 -4.568 1.00 0.00 N ATOM 0 H GLN A 36 -8.313 0.112 -0.167 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.234 -1.147 -2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.986 1.049 -1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.413 1.751 -1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.735 1.171 -4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.368 0.669 -3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.009 2.326 -5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.128 4.007 -4.711 1.00 0.00 H new ATOM 549 N GLN A 37 -8.733 -0.827 -4.101 1.00 0.00 N ATOM 550 CA GLN A 37 -7.757 -0.994 -5.172 1.00 0.00 C ATOM 551 C GLN A 37 -8.065 -0.062 -6.339 1.00 0.00 C ATOM 552 O GLN A 37 -9.225 0.127 -6.707 1.00 0.00 O ATOM 553 CB GLN A 37 -7.741 -2.446 -5.654 1.00 0.00 C ATOM 554 CG GLN A 37 -7.632 -3.460 -4.527 1.00 0.00 C ATOM 555 CD GLN A 37 -7.288 -4.850 -5.024 1.00 0.00 C ATOM 556 OE1 GLN A 37 -7.120 -5.069 -6.224 1.00 0.00 O ATOM 557 NE2 GLN A 37 -7.182 -5.799 -4.101 1.00 0.00 N ATOM 0 H GLN A 37 -9.703 -0.956 -4.390 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.774 -0.739 -4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.651 -2.642 -6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.903 -2.584 -6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.869 -3.132 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.576 -3.496 -3.983 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.330 -5.573 -3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.953 -6.754 -4.376 1.00 0.00 H new ATOM 566 N CYS A 38 -7.019 0.519 -6.917 1.00 0.00 N ATOM 567 CA CYS A 38 -7.177 1.433 -8.043 1.00 0.00 C ATOM 568 C CYS A 38 -7.262 0.666 -9.358 1.00 0.00 C ATOM 569 O CYS A 38 -6.723 -0.433 -9.483 1.00 0.00 O ATOM 570 CB CYS A 38 -6.013 2.424 -8.089 1.00 0.00 C ATOM 571 SG CYS A 38 -5.835 3.425 -6.594 1.00 0.00 S ATOM 0 H CYS A 38 -6.053 0.373 -6.625 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.107 1.984 -7.905 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.088 1.873 -8.257 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.148 3.087 -8.943 1.00 0.00 H new ATOM 0 HG CYS A 38 -4.823 4.230 -6.729 1.00 0.00 H new ATOM 577 N ASP A 39 -7.943 1.253 -10.336 1.00 0.00 N ATOM 578 CA ASP A 39 -8.099 0.625 -11.643 1.00 0.00 C ATOM 579 C ASP A 39 -6.744 0.424 -12.314 1.00 0.00 C ATOM 580 O ASP A 39 -6.429 -0.669 -12.784 1.00 0.00 O ATOM 581 CB ASP A 39 -9.004 1.475 -12.536 1.00 0.00 C ATOM 582 CG ASP A 39 -9.076 0.949 -13.956 1.00 0.00 C ATOM 583 OD1 ASP A 39 -9.494 -0.214 -14.137 1.00 0.00 O ATOM 584 OD2 ASP A 39 -8.712 1.698 -14.887 1.00 0.00 O ATOM 0 H ASP A 39 -8.396 2.163 -10.249 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.560 -0.352 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.007 1.502 -12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.636 2.501 -12.550 1.00 0.00 H new ATOM 589 N ASP A 40 -5.948 1.487 -12.358 1.00 0.00 N ATOM 590 CA ASP A 40 -4.626 1.427 -12.972 1.00 0.00 C ATOM 591 C ASP A 40 -3.822 0.255 -12.418 1.00 0.00 C ATOM 592 O ASP A 40 -3.145 -0.453 -13.162 1.00 0.00 O ATOM 593 CB ASP A 40 -3.872 2.736 -12.736 1.00 0.00 C ATOM 594 CG ASP A 40 -4.211 3.794 -13.768 1.00 0.00 C ATOM 595 OD1 ASP A 40 -4.592 3.421 -14.898 1.00 0.00 O ATOM 596 OD2 ASP A 40 -4.097 4.995 -13.446 1.00 0.00 O ATOM 0 H ASP A 40 -6.195 2.400 -11.976 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.756 1.280 -14.044 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.109 3.114 -11.741 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.799 2.543 -12.757 1.00 0.00 H new ATOM 601 N GLY A 41 -3.900 0.058 -11.105 1.00 0.00 N ATOM 602 CA GLY A 41 -3.174 -1.028 -10.474 1.00 0.00 C ATOM 603 C GLY A 41 -2.726 -0.686 -9.067 1.00 0.00 C ATOM 604 O GLY A 41 -2.423 -1.575 -8.271 1.00 0.00 O ATOM 0 H GLY A 41 -4.453 0.631 -10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.807 -1.915 -10.445 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.302 -1.278 -11.079 1.00 0.00 H new ATOM 608 N TRP A 42 -2.682 0.606 -8.760 1.00 0.00 N ATOM 609 CA TRP A 42 -2.266 1.064 -7.439 1.00 0.00 C ATOM 610 C TRP A 42 -3.176 0.497 -6.355 1.00 0.00 C ATOM 611 O TRP A 42 -4.117 -0.242 -6.645 1.00 0.00 O ATOM 612 CB TRP A 42 -2.273 2.592 -7.381 1.00 0.00 C ATOM 613 CG TRP A 42 -1.027 3.213 -7.937 1.00 0.00 C ATOM 614 CD1 TRP A 42 -0.374 2.856 -9.083 1.00 0.00 C ATOM 615 CD2 TRP A 42 -0.283 4.297 -7.370 1.00 0.00 C ATOM 616 NE1 TRP A 42 0.730 3.654 -9.262 1.00 0.00 N ATOM 617 CE2 TRP A 42 0.808 4.546 -8.225 1.00 0.00 C ATOM 618 CE3 TRP A 42 -0.434 5.083 -6.224 1.00 0.00 C ATOM 619 CZ2 TRP A 42 1.742 5.546 -7.968 1.00 0.00 C ATOM 620 CZ3 TRP A 42 0.494 6.075 -5.971 1.00 0.00 C ATOM 621 CH2 TRP A 42 1.570 6.300 -6.840 1.00 0.00 C ATOM 0 H TRP A 42 -2.929 1.354 -9.407 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.252 0.706 -7.260 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.135 2.966 -7.934 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.397 2.909 -6.345 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -0.680 2.064 -9.750 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.386 3.592 -10.041 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.261 4.918 -5.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.573 5.720 -8.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.388 6.688 -5.088 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.277 7.084 -6.615 1.00 0.00 H new ATOM 632 N PHE A 43 -2.891 0.849 -5.106 1.00 0.00 N ATOM 633 CA PHE A 43 -3.685 0.375 -3.978 1.00 0.00 C ATOM 634 C PHE A 43 -3.980 1.512 -3.004 1.00 0.00 C ATOM 635 O PHE A 43 -3.217 2.473 -2.905 1.00 0.00 O ATOM 636 CB PHE A 43 -2.953 -0.756 -3.252 1.00 0.00 C ATOM 637 CG PHE A 43 -2.907 -2.038 -4.032 1.00 0.00 C ATOM 638 CD1 PHE A 43 -4.041 -2.520 -4.666 1.00 0.00 C ATOM 639 CD2 PHE A 43 -1.730 -2.763 -4.131 1.00 0.00 C ATOM 640 CE1 PHE A 43 -4.002 -3.700 -5.385 1.00 0.00 C ATOM 641 CE2 PHE A 43 -1.685 -3.943 -4.849 1.00 0.00 C ATOM 642 CZ PHE A 43 -2.823 -4.412 -5.476 1.00 0.00 C ATOM 0 H PHE A 43 -2.116 1.461 -4.849 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.631 -0.003 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.934 -0.437 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.442 -0.939 -2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.966 -1.967 -4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.838 -2.402 -3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.893 -4.064 -5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.761 -4.498 -4.920 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.790 -5.335 -6.037 1.00 0.00 H new ATOM 652 N VAL A 44 -5.094 1.396 -2.288 1.00 0.00 N ATOM 653 CA VAL A 44 -5.491 2.413 -1.322 1.00 0.00 C ATOM 654 C VAL A 44 -5.850 1.785 0.020 1.00 0.00 C ATOM 655 O VAL A 44 -6.832 1.053 0.133 1.00 0.00 O ATOM 656 CB VAL A 44 -6.693 3.232 -1.831 1.00 0.00 C ATOM 657 CG1 VAL A 44 -7.044 4.334 -0.844 1.00 0.00 C ATOM 658 CG2 VAL A 44 -6.399 3.810 -3.207 1.00 0.00 C ATOM 0 H VAL A 44 -5.737 0.608 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.637 3.078 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.553 2.568 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.895 4.902 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.300 3.892 0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.189 4.999 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.258 4.385 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.526 4.461 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.201 2.999 -3.908 1.00 0.00 H new ATOM 668 N GLY A 45 -5.046 2.078 1.038 1.00 0.00 N ATOM 669 CA GLY A 45 -5.295 1.535 2.360 1.00 0.00 C ATOM 670 C GLY A 45 -4.714 2.399 3.461 1.00 0.00 C ATOM 671 O GLY A 45 -4.719 3.627 3.365 1.00 0.00 O ATOM 0 H GLY A 45 -4.227 2.682 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.370 1.434 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.868 0.534 2.425 1.00 0.00 H new ATOM 675 N VAL A 46 -4.213 1.759 4.513 1.00 0.00 N ATOM 676 CA VAL A 46 -3.626 2.477 5.638 1.00 0.00 C ATOM 677 C VAL A 46 -2.314 1.836 6.074 1.00 0.00 C ATOM 678 O VAL A 46 -2.154 0.618 6.008 1.00 0.00 O ATOM 679 CB VAL A 46 -4.588 2.521 6.839 1.00 0.00 C ATOM 680 CG1 VAL A 46 -3.837 2.879 8.113 1.00 0.00 C ATOM 681 CG2 VAL A 46 -5.718 3.506 6.582 1.00 0.00 C ATOM 0 H VAL A 46 -4.202 0.744 4.609 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.434 3.495 5.299 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.023 1.530 6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.534 2.905 8.951 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.068 2.131 8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.371 3.858 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.388 3.524 7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.304 4.502 6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.273 3.199 5.696 1.00 0.00 H new ATOM 691 N SER A 47 -1.376 2.666 6.522 1.00 0.00 N ATOM 692 CA SER A 47 -0.075 2.181 6.967 1.00 0.00 C ATOM 693 C SER A 47 -0.184 1.509 8.332 1.00 0.00 C ATOM 694 O SER A 47 -1.221 1.584 8.992 1.00 0.00 O ATOM 695 CB SER A 47 0.928 3.335 7.031 1.00 0.00 C ATOM 696 OG SER A 47 2.207 2.876 7.432 1.00 0.00 O ATOM 0 H SER A 47 -1.493 3.677 6.586 1.00 0.00 H new ATOM 0 HA SER A 47 0.277 1.443 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.999 3.814 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.573 4.091 7.731 1.00 0.00 H new ATOM 0 HG SER A 47 2.831 3.631 7.464 1.00 0.00 H new ATOM 702 N ARG A 48 0.894 0.854 8.750 1.00 0.00 N ATOM 703 CA ARG A 48 0.921 0.168 10.036 1.00 0.00 C ATOM 704 C ARG A 48 1.953 0.798 10.967 1.00 0.00 C ATOM 705 O ARG A 48 2.229 0.275 12.047 1.00 0.00 O ATOM 706 CB ARG A 48 1.234 -1.317 9.840 1.00 0.00 C ATOM 707 CG ARG A 48 0.075 -2.112 9.260 1.00 0.00 C ATOM 708 CD ARG A 48 -1.079 -2.211 10.245 1.00 0.00 C ATOM 709 NE ARG A 48 -1.845 -3.443 10.068 1.00 0.00 N ATOM 710 CZ ARG A 48 -2.810 -3.833 10.893 1.00 0.00 C ATOM 711 NH1 ARG A 48 -3.126 -3.092 11.946 1.00 0.00 N ATOM 712 NH2 ARG A 48 -3.462 -4.966 10.665 1.00 0.00 N ATOM 0 H ARG A 48 1.761 0.784 8.217 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.064 0.267 10.493 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.096 -1.414 9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.516 -1.750 10.800 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.269 -1.638 8.341 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.415 -3.113 8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.692 -2.168 11.263 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.739 -1.353 10.118 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.627 -4.036 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.628 -2.220 12.124 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.868 -3.394 12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.222 -5.538 9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.203 -5.265 11.299 1.00 0.00 H new ATOM 726 N ARG A 49 2.518 1.922 10.541 1.00 0.00 N ATOM 727 CA ARG A 49 3.521 2.622 11.335 1.00 0.00 C ATOM 728 C ARG A 49 3.077 4.051 11.633 1.00 0.00 C ATOM 729 O ARG A 49 3.306 4.569 12.727 1.00 0.00 O ATOM 730 CB ARG A 49 4.864 2.636 10.603 1.00 0.00 C ATOM 731 CG ARG A 49 5.974 3.326 11.379 1.00 0.00 C ATOM 732 CD ARG A 49 7.337 2.745 11.038 1.00 0.00 C ATOM 733 NE ARG A 49 7.646 1.567 11.844 1.00 0.00 N ATOM 734 CZ ARG A 49 8.586 0.684 11.524 1.00 0.00 C ATOM 735 NH1 ARG A 49 9.305 0.846 10.421 1.00 0.00 N ATOM 736 NH2 ARG A 49 8.809 -0.363 12.308 1.00 0.00 N ATOM 0 H ARG A 49 2.299 2.368 9.650 1.00 0.00 H new ATOM 0 HA ARG A 49 3.636 2.091 12.280 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.164 1.609 10.392 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.739 3.136 9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.966 4.393 11.156 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.790 3.222 12.448 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.364 2.479 9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.104 3.503 11.195 1.00 0.00 H new ATOM 0 HE ARG A 49 7.111 1.414 12.699 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.137 1.650 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.026 0.167 10.178 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.259 -0.491 13.157 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.531 -1.040 12.061 1.00 0.00 H new ATOM 750 N THR A 50 2.442 4.685 10.653 1.00 0.00 N ATOM 751 CA THR A 50 1.968 6.054 10.809 1.00 0.00 C ATOM 752 C THR A 50 0.455 6.095 10.991 1.00 0.00 C ATOM 753 O THR A 50 -0.102 7.112 11.404 1.00 0.00 O ATOM 754 CB THR A 50 2.352 6.924 9.597 1.00 0.00 C ATOM 755 OG1 THR A 50 2.018 6.244 8.381 1.00 0.00 O ATOM 756 CG2 THR A 50 3.838 7.246 9.611 1.00 0.00 C ATOM 0 H THR A 50 2.244 4.272 9.742 1.00 0.00 H new ATOM 0 HA THR A 50 2.449 6.455 11.701 1.00 0.00 H new ATOM 0 HB THR A 50 1.793 7.858 9.657 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.263 6.804 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.085 7.861 8.746 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.084 7.788 10.524 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.411 6.320 9.573 1.00 0.00 H new ATOM 764 N GLN A 51 -0.204 4.984 10.679 1.00 0.00 N ATOM 765 CA GLN A 51 -1.654 4.894 10.808 1.00 0.00 C ATOM 766 C GLN A 51 -2.344 5.937 9.935 1.00 0.00 C ATOM 767 O GLN A 51 -3.384 6.481 10.305 1.00 0.00 O ATOM 768 CB GLN A 51 -2.069 5.079 12.269 1.00 0.00 C ATOM 769 CG GLN A 51 -1.966 3.808 13.096 1.00 0.00 C ATOM 770 CD GLN A 51 -2.758 3.886 14.387 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.925 3.496 14.437 1.00 0.00 O ATOM 772 NE2 GLN A 51 -2.126 4.391 15.440 1.00 0.00 N ATOM 0 H GLN A 51 0.243 4.134 10.335 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.963 3.904 10.472 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.443 5.848 12.721 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.096 5.443 12.303 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.324 2.965 12.505 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.919 3.614 13.328 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.158 4.702 15.353 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.608 4.468 16.336 1.00 0.00 H new ATOM 781 N LYS A 52 -1.757 6.211 8.775 1.00 0.00 N ATOM 782 CA LYS A 52 -2.315 7.188 7.847 1.00 0.00 C ATOM 783 C LYS A 52 -3.041 6.495 6.698 1.00 0.00 C ATOM 784 O LYS A 52 -2.807 5.317 6.423 1.00 0.00 O ATOM 785 CB LYS A 52 -1.208 8.089 7.296 1.00 0.00 C ATOM 786 CG LYS A 52 -0.742 9.150 8.277 1.00 0.00 C ATOM 787 CD LYS A 52 -0.106 10.330 7.562 1.00 0.00 C ATOM 788 CE LYS A 52 0.795 11.126 8.493 1.00 0.00 C ATOM 789 NZ LYS A 52 1.787 11.944 7.741 1.00 0.00 N ATOM 0 H LYS A 52 -0.895 5.770 8.455 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.035 7.799 8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.357 7.471 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.566 8.577 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.589 9.496 8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.024 8.714 8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.474 9.972 6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.886 10.980 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.185 11.779 9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.320 10.444 9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.382 12.471 8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.386 11.319 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.287 12.613 7.122 1.00 0.00 H new ATOM 803 N PHE A 53 -3.920 7.232 6.029 1.00 0.00 N ATOM 804 CA PHE A 53 -4.680 6.688 4.909 1.00 0.00 C ATOM 805 C PHE A 53 -4.328 7.411 3.612 1.00 0.00 C ATOM 806 O PHE A 53 -4.222 8.636 3.580 1.00 0.00 O ATOM 807 CB PHE A 53 -6.181 6.803 5.179 1.00 0.00 C ATOM 808 CG PHE A 53 -7.023 5.987 4.240 1.00 0.00 C ATOM 809 CD1 PHE A 53 -7.045 6.270 2.884 1.00 0.00 C ATOM 810 CD2 PHE A 53 -7.793 4.938 4.714 1.00 0.00 C ATOM 811 CE1 PHE A 53 -7.819 5.521 2.019 1.00 0.00 C ATOM 812 CE2 PHE A 53 -8.570 4.185 3.853 1.00 0.00 C ATOM 813 CZ PHE A 53 -8.582 4.477 2.504 1.00 0.00 C ATOM 0 H PHE A 53 -4.124 8.208 6.242 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.418 5.636 4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.383 6.488 6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.477 7.849 5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.450 7.085 2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.787 4.705 5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.827 5.752 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.166 3.370 4.235 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.187 3.890 1.829 1.00 0.00 H new ATOM 823 N GLY A 54 -4.147 6.641 2.543 1.00 0.00 N ATOM 824 CA GLY A 54 -3.809 7.224 1.257 1.00 0.00 C ATOM 825 C GLY A 54 -3.691 6.183 0.162 1.00 0.00 C ATOM 826 O GLY A 54 -4.232 5.083 0.279 1.00 0.00 O ATOM 0 H GLY A 54 -4.228 5.624 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.571 7.953 0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.867 7.765 1.343 1.00 0.00 H new ATOM 830 N THR A 55 -2.984 6.530 -0.909 1.00 0.00 N ATOM 831 CA THR A 55 -2.800 5.619 -2.032 1.00 0.00 C ATOM 832 C THR A 55 -1.321 5.424 -2.345 1.00 0.00 C ATOM 833 O THR A 55 -0.535 6.370 -2.293 1.00 0.00 O ATOM 834 CB THR A 55 -3.517 6.132 -3.295 1.00 0.00 C ATOM 835 OG1 THR A 55 -3.271 5.246 -4.392 1.00 0.00 O ATOM 836 CG2 THR A 55 -3.046 7.534 -3.653 1.00 0.00 C ATOM 0 H THR A 55 -2.529 7.436 -1.022 1.00 0.00 H new ATOM 0 HA THR A 55 -3.236 4.664 -1.739 1.00 0.00 H new ATOM 0 HB THR A 55 -4.587 6.167 -3.090 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.227 4.324 -4.064 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.566 7.875 -4.548 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.262 8.212 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.972 7.520 -3.840 1.00 0.00 H new ATOM 844 N PHE A 56 -0.947 4.191 -2.670 1.00 0.00 N ATOM 845 CA PHE A 56 0.439 3.871 -2.991 1.00 0.00 C ATOM 846 C PHE A 56 0.514 2.860 -4.131 1.00 0.00 C ATOM 847 O PHE A 56 -0.431 2.116 -4.398 1.00 0.00 O ATOM 848 CB PHE A 56 1.156 3.320 -1.757 1.00 0.00 C ATOM 849 CG PHE A 56 0.306 2.399 -0.930 1.00 0.00 C ATOM 850 CD1 PHE A 56 -0.585 2.907 0.002 1.00 0.00 C ATOM 851 CD2 PHE A 56 0.397 1.025 -1.085 1.00 0.00 C ATOM 852 CE1 PHE A 56 -1.370 2.062 0.764 1.00 0.00 C ATOM 853 CE2 PHE A 56 -0.386 0.175 -0.326 1.00 0.00 C ATOM 854 CZ PHE A 56 -1.269 0.694 0.601 1.00 0.00 C ATOM 0 H PHE A 56 -1.585 3.397 -2.718 1.00 0.00 H new ATOM 0 HA PHE A 56 0.933 4.789 -3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.052 2.787 -2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.485 4.153 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.667 3.976 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.087 0.614 -1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.061 2.471 1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.307 -0.894 -0.458 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.879 0.032 1.197 1.00 0.00 H new ATOM 864 N PRO A 57 1.664 2.831 -4.821 1.00 0.00 N ATOM 865 CA PRO A 57 1.890 1.916 -5.943 1.00 0.00 C ATOM 866 C PRO A 57 2.010 0.464 -5.493 1.00 0.00 C ATOM 867 O PRO A 57 3.015 0.067 -4.905 1.00 0.00 O ATOM 868 CB PRO A 57 3.215 2.403 -6.536 1.00 0.00 C ATOM 869 CG PRO A 57 3.912 3.075 -5.404 1.00 0.00 C ATOM 870 CD PRO A 57 2.831 3.689 -4.557 1.00 0.00 C ATOM 0 HA PRO A 57 1.061 1.926 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.803 1.572 -6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.049 3.092 -7.364 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.500 2.360 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.602 3.836 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.099 3.689 -3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.640 4.725 -4.837 1.00 0.00 H new ATOM 878 N GLY A 58 0.977 -0.325 -5.773 1.00 0.00 N ATOM 879 CA GLY A 58 0.987 -1.725 -5.389 1.00 0.00 C ATOM 880 C GLY A 58 2.218 -2.454 -5.890 1.00 0.00 C ATOM 881 O GLY A 58 2.511 -3.565 -5.451 1.00 0.00 O ATOM 0 H GLY A 58 0.134 -0.020 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.940 -1.801 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.095 -2.213 -5.781 1.00 0.00 H new ATOM 885 N ASN A 59 2.940 -1.829 -6.814 1.00 0.00 N ATOM 886 CA ASN A 59 4.144 -2.427 -7.378 1.00 0.00 C ATOM 887 C ASN A 59 5.258 -2.489 -6.338 1.00 0.00 C ATOM 888 O ASN A 59 6.288 -3.130 -6.552 1.00 0.00 O ATOM 889 CB ASN A 59 4.613 -1.629 -8.596 1.00 0.00 C ATOM 890 CG ASN A 59 3.530 -1.489 -9.648 1.00 0.00 C ATOM 891 OD1 ASN A 59 3.407 -2.325 -10.544 1.00 0.00 O ATOM 892 ND2 ASN A 59 2.737 -0.429 -9.543 1.00 0.00 N ATOM 0 H ASN A 59 2.712 -0.908 -7.188 1.00 0.00 H new ATOM 0 HA ASN A 59 3.903 -3.444 -7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.935 -0.638 -8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.481 -2.119 -9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.989 -0.282 -10.221 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.875 0.238 -8.784 1.00 0.00 H new ATOM 899 N TYR A 60 5.045 -1.820 -5.210 1.00 0.00 N ATOM 900 CA TYR A 60 6.032 -1.798 -4.136 1.00 0.00 C ATOM 901 C TYR A 60 5.617 -2.722 -2.996 1.00 0.00 C ATOM 902 O TYR A 60 6.456 -3.205 -2.235 1.00 0.00 O ATOM 903 CB TYR A 60 6.214 -0.372 -3.612 1.00 0.00 C ATOM 904 CG TYR A 60 7.023 0.513 -4.533 1.00 0.00 C ATOM 905 CD1 TYR A 60 6.507 0.936 -5.752 1.00 0.00 C ATOM 906 CD2 TYR A 60 8.304 0.924 -4.185 1.00 0.00 C ATOM 907 CE1 TYR A 60 7.243 1.744 -6.597 1.00 0.00 C ATOM 908 CE2 TYR A 60 9.046 1.733 -5.023 1.00 0.00 C ATOM 909 CZ TYR A 60 8.512 2.141 -6.228 1.00 0.00 C ATOM 910 OH TYR A 60 9.249 2.945 -7.066 1.00 0.00 O ATOM 0 H TYR A 60 4.198 -1.286 -5.015 1.00 0.00 H new ATOM 0 HA TYR A 60 6.980 -2.153 -4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.233 0.078 -3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.702 -0.411 -2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.514 0.628 -6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.726 0.605 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.827 2.063 -7.541 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.040 2.045 -4.736 1.00 0.00 H new ATOM 0 HH TYR A 60 10.119 3.133 -6.657 1.00 0.00 H new ATOM 920 N VAL A 61 4.314 -2.964 -2.884 1.00 0.00 N ATOM 921 CA VAL A 61 3.786 -3.832 -1.838 1.00 0.00 C ATOM 922 C VAL A 61 3.283 -5.149 -2.418 1.00 0.00 C ATOM 923 O VAL A 61 3.201 -5.312 -3.635 1.00 0.00 O ATOM 924 CB VAL A 61 2.637 -3.150 -1.071 1.00 0.00 C ATOM 925 CG1 VAL A 61 3.070 -1.782 -0.566 1.00 0.00 C ATOM 926 CG2 VAL A 61 1.402 -3.037 -1.951 1.00 0.00 C ATOM 0 H VAL A 61 3.606 -2.571 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 61 4.606 -4.032 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 61 2.384 -3.766 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.246 -1.315 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.923 -1.894 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.352 -1.154 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.601 -2.553 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.638 -2.444 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.081 -4.033 -2.257 1.00 0.00 H new ATOM 936 N ALA A 62 2.948 -6.087 -1.539 1.00 0.00 N ATOM 937 CA ALA A 62 2.451 -7.390 -1.963 1.00 0.00 C ATOM 938 C ALA A 62 1.553 -8.009 -0.897 1.00 0.00 C ATOM 939 O ALA A 62 1.714 -7.770 0.300 1.00 0.00 O ATOM 940 CB ALA A 62 3.612 -8.319 -2.283 1.00 0.00 C ATOM 0 H ALA A 62 3.012 -5.969 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 62 1.855 -7.248 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.226 -9.288 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.212 -7.889 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.231 -8.446 -1.395 1.00 0.00 H new ATOM 946 N PRO A 63 0.584 -8.824 -1.339 1.00 0.00 N ATOM 947 CA PRO A 63 -0.359 -9.494 -0.439 1.00 0.00 C ATOM 948 C PRO A 63 0.309 -10.581 0.396 1.00 0.00 C ATOM 949 O PRO A 63 0.557 -11.686 -0.089 1.00 0.00 O ATOM 950 CB PRO A 63 -1.386 -10.108 -1.393 1.00 0.00 C ATOM 951 CG PRO A 63 -0.651 -10.289 -2.676 1.00 0.00 C ATOM 952 CD PRO A 63 0.333 -9.154 -2.752 1.00 0.00 C ATOM 0 HA PRO A 63 -0.790 -8.804 0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.760 -11.059 -1.013 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.249 -9.454 -1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.140 -11.251 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.335 -10.270 -3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.249 -9.450 -3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.076 -8.303 -3.297 1.00 0.00 H new ATOM 960 N VAL A 64 0.600 -10.262 1.653 1.00 0.00 N ATOM 961 CA VAL A 64 1.239 -11.212 2.555 1.00 0.00 C ATOM 962 C VAL A 64 0.241 -12.250 3.056 1.00 0.00 C ATOM 963 O VAL A 64 0.627 -13.314 3.540 1.00 0.00 O ATOM 964 CB VAL A 64 1.872 -10.499 3.765 1.00 0.00 C ATOM 965 CG1 VAL A 64 0.931 -9.437 4.311 1.00 0.00 C ATOM 966 CG2 VAL A 64 2.237 -11.506 4.845 1.00 0.00 C ATOM 0 H VAL A 64 0.403 -9.352 2.070 1.00 0.00 H new ATOM 0 HA VAL A 64 2.023 -11.711 1.986 1.00 0.00 H new ATOM 0 HB VAL A 64 2.787 -10.005 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.395 -8.944 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.725 -8.700 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.002 -9.904 4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.683 -10.985 5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.339 -12.030 5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.951 -12.226 4.445 1.00 0.00 H new ATOM 976 N SER A 65 -1.045 -11.934 2.936 1.00 0.00 N ATOM 977 CA SER A 65 -2.099 -12.838 3.380 1.00 0.00 C ATOM 978 C SER A 65 -1.846 -14.256 2.877 1.00 0.00 C ATOM 979 O SER A 65 -2.104 -15.231 3.581 1.00 0.00 O ATOM 980 CB SER A 65 -3.462 -12.346 2.888 1.00 0.00 C ATOM 981 OG SER A 65 -4.439 -13.368 2.987 1.00 0.00 O ATOM 0 H SER A 65 -1.382 -11.059 2.535 1.00 0.00 H new ATOM 0 HA SER A 65 -2.097 -12.852 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.774 -11.482 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.381 -12.015 1.853 1.00 0.00 H new ATOM 0 HG SER A 65 -5.301 -13.028 2.668 1.00 0.00 H new ATOM 987 N GLY A 66 -1.339 -14.362 1.653 1.00 0.00 N ATOM 988 CA GLY A 66 -1.059 -15.663 1.076 1.00 0.00 C ATOM 989 C GLY A 66 -2.056 -16.047 0.001 1.00 0.00 C ATOM 990 O GLY A 66 -3.025 -16.765 0.251 1.00 0.00 O ATOM 0 H GLY A 66 -1.117 -13.569 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.055 -15.660 0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.070 -16.416 1.864 1.00 0.00 H new ATOM 994 N PRO A 67 -1.824 -15.562 -1.228 1.00 0.00 N ATOM 995 CA PRO A 67 -2.700 -15.845 -2.369 1.00 0.00 C ATOM 996 C PRO A 67 -2.613 -17.299 -2.820 1.00 0.00 C ATOM 997 O PRO A 67 -1.855 -17.632 -3.732 1.00 0.00 O ATOM 998 CB PRO A 67 -2.170 -14.913 -3.462 1.00 0.00 C ATOM 999 CG PRO A 67 -0.744 -14.677 -3.101 1.00 0.00 C ATOM 1000 CD PRO A 67 -0.689 -14.701 -1.598 1.00 0.00 C ATOM 0 HA PRO A 67 -3.751 -15.686 -2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.258 -15.369 -4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.731 -13.979 -3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.101 -15.447 -3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.396 -13.720 -3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.257 -15.106 -1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.789 -13.701 -1.176 1.00 0.00 H new ATOM 1008 N SER A 68 -3.393 -18.161 -2.177 1.00 0.00 N ATOM 1009 CA SER A 68 -3.401 -19.581 -2.510 1.00 0.00 C ATOM 1010 C SER A 68 -4.818 -20.060 -2.813 1.00 0.00 C ATOM 1011 O SER A 68 -5.764 -19.725 -2.099 1.00 0.00 O ATOM 1012 CB SER A 68 -2.809 -20.400 -1.361 1.00 0.00 C ATOM 1013 OG SER A 68 -3.697 -20.447 -0.258 1.00 0.00 O ATOM 0 H SER A 68 -4.028 -17.901 -1.422 1.00 0.00 H new ATOM 0 HA SER A 68 -2.789 -19.723 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.596 -21.413 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.860 -19.963 -1.050 1.00 0.00 H new ATOM 0 HG SER A 68 -3.296 -20.977 0.462 1.00 0.00 H new ATOM 1019 N SER A 69 -4.956 -20.845 -3.877 1.00 0.00 N ATOM 1020 CA SER A 69 -6.257 -21.367 -4.278 1.00 0.00 C ATOM 1021 C SER A 69 -6.748 -22.419 -3.288 1.00 0.00 C ATOM 1022 O SER A 69 -6.014 -23.336 -2.924 1.00 0.00 O ATOM 1023 CB SER A 69 -6.178 -21.969 -5.682 1.00 0.00 C ATOM 1024 OG SER A 69 -5.755 -21.002 -6.628 1.00 0.00 O ATOM 0 H SER A 69 -4.183 -21.133 -4.477 1.00 0.00 H new ATOM 0 HA SER A 69 -6.967 -20.540 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.485 -22.810 -5.682 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.154 -22.360 -5.969 1.00 0.00 H new ATOM 0 HG SER A 69 -5.711 -21.412 -7.517 1.00 0.00 H new ATOM 1030 N GLY A 70 -7.998 -22.278 -2.856 1.00 0.00 N ATOM 1031 CA GLY A 70 -8.567 -23.222 -1.912 1.00 0.00 C ATOM 1032 C GLY A 70 -8.674 -24.622 -2.485 1.00 0.00 C ATOM 1033 O GLY A 70 -7.921 -25.516 -2.100 1.00 0.00 O ATOM 0 H GLY A 70 -8.626 -21.527 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.952 -23.247 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.557 -22.879 -1.612 1.00 0.00 H new TER 1037 GLY A 70