USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 520 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 6 TYR OH : rot 30:sc= 0.317 USER MOD Set 1.2: A 52 LYS NZ :NH3+ 168:sc= -0.203 (180deg=-0.752) USER MOD Single : A 7 GLN : amide:sc=-0.00898 K(o=-0.009,f=-1.4) USER MOD Single : A 9 GLN : amide:sc=-0.00408 X(o=-0.0041,f=-0.0013) USER MOD Single : A 11 GLN : amide:sc= -0.0711 K(o=-0.071,f=0.77) USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= -0.283 (180deg=-1.49!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 179:sc= 0.282! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.1) USER MOD Single : A 32 SER OG : rot -77:sc= 0.423 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00669) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -2.06! C(o=-2.1!,f=-6.7!) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -0.825 (180deg=-1.58!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 66 LYS NZ :NH3+ 151:sc= -0.153 (180deg=-0.711) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 1.328 0.000 0.000 1.00 3.00 N ATOM 2 CA TYR A 6 2.093 0.001 -1.242 1.00 34.33 C ATOM 3 C TYR A 6 1.919 -1.318 -1.989 1.00 40.00 C ATOM 4 O TYR A 6 1.237 -2.226 -1.516 1.00 31.34 O ATOM 5 CB TYR A 6 3.575 0.245 -0.953 1.00 33.33 C ATOM 6 CG TYR A 6 3.822 1.335 0.065 1.00 14.31 C ATOM 7 CD1 TYR A 6 3.178 2.563 -0.032 1.00 72.53 C ATOM 8 CD2 TYR A 6 4.698 1.138 1.125 1.00 64.32 C ATOM 9 CE1 TYR A 6 3.401 3.562 0.895 1.00 62.11 C ATOM 10 CE2 TYR A 6 4.927 2.131 2.058 1.00 73.14 C ATOM 11 CZ TYR A 6 4.276 3.341 1.938 1.00 2.30 C ATOM 12 OH TYR A 6 4.500 4.334 2.865 1.00 63.35 O ATOM 0 HA TYR A 6 1.716 0.807 -1.871 1.00 34.33 H new ATOM 0 HB2 TYR A 6 4.024 -0.682 -0.597 1.00 33.33 H new ATOM 0 HB3 TYR A 6 4.080 0.507 -1.883 1.00 33.33 H new ATOM 0 HD1 TYR A 6 2.491 2.739 -0.847 1.00 72.53 H new ATOM 0 HD2 TYR A 6 5.209 0.192 1.222 1.00 64.32 H new ATOM 0 HE1 TYR A 6 2.893 4.511 0.804 1.00 62.11 H new ATOM 0 HE2 TYR A 6 5.611 1.961 2.876 1.00 73.14 H new ATOM 0 HH TYR A 6 3.696 4.887 2.953 1.00 63.35 H new ATOM 22 N GLN A 7 2.542 -1.414 -3.159 1.00 42.00 N ATOM 23 CA GLN A 7 2.457 -2.621 -3.973 1.00 21.04 C ATOM 24 C GLN A 7 2.642 -3.869 -3.116 1.00 33.12 C ATOM 25 O GLN A 7 2.811 -3.780 -1.900 1.00 1.44 O ATOM 26 CB GLN A 7 3.510 -2.589 -5.082 1.00 32.11 C ATOM 27 CG GLN A 7 3.130 -1.700 -6.255 1.00 65.22 C ATOM 28 CD GLN A 7 2.156 -2.370 -7.204 1.00 20.12 C ATOM 29 OE1 GLN A 7 1.677 -3.474 -6.943 1.00 22.13 O ATOM 30 NE2 GLN A 7 1.857 -1.704 -8.313 1.00 34.20 N ATOM 0 H GLN A 7 3.111 -0.671 -3.564 1.00 42.00 H new ATOM 0 HA GLN A 7 1.465 -2.656 -4.424 1.00 21.04 H new ATOM 0 HB2 GLN A 7 4.455 -2.242 -4.665 1.00 32.11 H new ATOM 0 HB3 GLN A 7 3.675 -3.604 -5.444 1.00 32.11 H new ATOM 0 HG2 GLN A 7 2.688 -0.778 -5.878 1.00 65.22 H new ATOM 0 HG3 GLN A 7 4.031 -1.422 -6.802 1.00 65.22 H new ATOM 0 HE21 GLN A 7 2.277 -0.792 -8.489 1.00 34.20 H new ATOM 0 HE22 GLN A 7 1.207 -2.105 -8.989 1.00 34.20 H new ATOM 39 N ASP A 8 2.608 -5.032 -3.758 1.00 15.43 N ATOM 40 CA ASP A 8 2.772 -6.299 -3.054 1.00 51.55 C ATOM 41 C ASP A 8 3.738 -6.149 -1.883 1.00 54.41 C ATOM 42 O ASP A 8 3.551 -6.760 -0.832 1.00 24.14 O ATOM 43 CB ASP A 8 3.278 -7.377 -4.014 1.00 12.12 C ATOM 44 CG ASP A 8 2.381 -7.541 -5.225 1.00 32.51 C ATOM 45 OD1 ASP A 8 2.574 -6.800 -6.212 1.00 32.43 O ATOM 46 OD2 ASP A 8 1.486 -8.412 -5.186 1.00 45.14 O ATOM 0 H ASP A 8 2.468 -5.124 -4.764 1.00 15.43 H new ATOM 0 HA ASP A 8 1.800 -6.598 -2.663 1.00 51.55 H new ATOM 0 HB2 ASP A 8 4.285 -7.122 -4.343 1.00 12.12 H new ATOM 0 HB3 ASP A 8 3.347 -8.327 -3.485 1.00 12.12 H new ATOM 51 N GLN A 9 4.769 -5.332 -2.074 1.00 30.21 N ATOM 52 CA GLN A 9 5.765 -5.104 -1.033 1.00 74.03 C ATOM 53 C GLN A 9 5.096 -4.861 0.316 1.00 61.12 C ATOM 54 O GLN A 9 5.480 -5.453 1.324 1.00 10.31 O ATOM 55 CB GLN A 9 6.651 -3.912 -1.399 1.00 31.13 C ATOM 56 CG GLN A 9 7.494 -3.403 -0.240 1.00 73.04 C ATOM 57 CD GLN A 9 8.438 -4.458 0.302 1.00 13.32 C ATOM 58 OE1 GLN A 9 8.392 -4.799 1.485 1.00 44.24 O ATOM 59 NE2 GLN A 9 9.300 -4.981 -0.561 1.00 63.21 N ATOM 0 H GLN A 9 4.936 -4.817 -2.939 1.00 30.21 H new ATOM 0 HA GLN A 9 6.384 -5.998 -0.955 1.00 74.03 H new ATOM 0 HB2 GLN A 9 7.310 -4.198 -2.219 1.00 31.13 H new ATOM 0 HB3 GLN A 9 6.022 -3.100 -1.764 1.00 31.13 H new ATOM 0 HG2 GLN A 9 8.071 -2.538 -0.568 1.00 73.04 H new ATOM 0 HG3 GLN A 9 6.837 -3.063 0.560 1.00 73.04 H new ATOM 0 HE21 GLN A 9 9.303 -4.669 -1.532 1.00 63.21 H new ATOM 0 HE22 GLN A 9 9.960 -5.695 -0.253 1.00 63.21 H new ATOM 68 N GLU A 10 4.095 -3.987 0.326 1.00 53.23 N ATOM 69 CA GLU A 10 3.374 -3.665 1.552 1.00 23.41 C ATOM 70 C GLU A 10 2.404 -4.784 1.922 1.00 51.41 C ATOM 71 O GLU A 10 2.280 -5.150 3.090 1.00 1.33 O ATOM 72 CB GLU A 10 2.614 -2.347 1.393 1.00 73.34 C ATOM 73 CG GLU A 10 2.008 -1.834 2.688 1.00 53.21 C ATOM 74 CD GLU A 10 3.044 -1.241 3.622 1.00 24.03 C ATOM 75 OE1 GLU A 10 4.199 -1.054 3.184 1.00 20.13 O ATOM 76 OE2 GLU A 10 2.702 -0.964 4.791 1.00 72.43 O ATOM 0 H GLU A 10 3.765 -3.489 -0.501 1.00 53.23 H new ATOM 0 HA GLU A 10 4.103 -3.559 2.355 1.00 23.41 H new ATOM 0 HB2 GLU A 10 3.292 -1.592 0.995 1.00 73.34 H new ATOM 0 HB3 GLU A 10 1.820 -2.481 0.658 1.00 73.34 H new ATOM 0 HG2 GLU A 10 1.256 -1.079 2.459 1.00 53.21 H new ATOM 0 HG3 GLU A 10 1.494 -2.652 3.193 1.00 53.21 H new ATOM 83 N GLN A 11 1.718 -5.320 0.918 1.00 64.53 N ATOM 84 CA GLN A 11 0.758 -6.396 1.137 1.00 3.45 C ATOM 85 C GLN A 11 1.430 -7.600 1.788 1.00 33.44 C ATOM 86 O GLN A 11 0.788 -8.370 2.504 1.00 53.24 O ATOM 87 CB GLN A 11 0.113 -6.810 -0.186 1.00 52.20 C ATOM 88 CG GLN A 11 -0.465 -5.644 -0.972 1.00 64.14 C ATOM 89 CD GLN A 11 -1.238 -4.677 -0.099 1.00 14.35 C ATOM 90 OE1 GLN A 11 -0.931 -3.485 -0.048 1.00 73.35 O ATOM 91 NE2 GLN A 11 -2.249 -5.185 0.596 1.00 33.14 N ATOM 0 H GLN A 11 1.809 -5.027 -0.055 1.00 64.53 H new ATOM 0 HA GLN A 11 -0.016 -6.027 1.810 1.00 3.45 H new ATOM 0 HB2 GLN A 11 0.857 -7.318 -0.800 1.00 52.20 H new ATOM 0 HB3 GLN A 11 -0.680 -7.530 0.016 1.00 52.20 H new ATOM 0 HG2 GLN A 11 0.344 -5.110 -1.470 1.00 64.14 H new ATOM 0 HG3 GLN A 11 -1.122 -6.027 -1.753 1.00 64.14 H new ATOM 0 HE21 GLN A 11 -2.469 -6.178 0.524 1.00 33.14 H new ATOM 0 HE22 GLN A 11 -2.806 -4.582 1.202 1.00 33.14 H new ATOM 100 N ARG A 12 2.725 -7.758 1.535 1.00 31.15 N ATOM 101 CA ARG A 12 3.483 -8.870 2.096 1.00 72.43 C ATOM 102 C ARG A 12 3.810 -8.620 3.565 1.00 44.22 C ATOM 103 O ARG A 12 3.410 -9.388 4.440 1.00 54.21 O ATOM 104 CB ARG A 12 4.774 -9.086 1.304 1.00 52.23 C ATOM 105 CG ARG A 12 5.399 -10.454 1.519 1.00 60.42 C ATOM 106 CD ARG A 12 4.631 -11.540 0.781 1.00 43.24 C ATOM 107 NE ARG A 12 5.038 -11.643 -0.618 1.00 60.03 N ATOM 108 CZ ARG A 12 4.793 -12.704 -1.378 1.00 71.45 C ATOM 109 NH1 ARG A 12 4.146 -13.748 -0.878 1.00 12.44 N ATOM 110 NH2 ARG A 12 5.195 -12.723 -2.643 1.00 31.41 N ATOM 0 H ARG A 12 3.271 -7.130 0.945 1.00 31.15 H new ATOM 0 HA ARG A 12 2.868 -9.767 2.027 1.00 72.43 H new ATOM 0 HB2 ARG A 12 4.565 -8.954 0.242 1.00 52.23 H new ATOM 0 HB3 ARG A 12 5.495 -8.318 1.585 1.00 52.23 H new ATOM 0 HG2 ARG A 12 6.433 -10.441 1.175 1.00 60.42 H new ATOM 0 HG3 ARG A 12 5.420 -10.682 2.585 1.00 60.42 H new ATOM 0 HD2 ARG A 12 4.791 -12.498 1.277 1.00 43.24 H new ATOM 0 HD3 ARG A 12 3.563 -11.328 0.833 1.00 43.24 H new ATOM 0 HE ARG A 12 5.538 -10.857 -1.034 1.00 60.03 H new ATOM 0 HH11 ARG A 12 3.835 -13.738 0.093 1.00 12.44 H new ATOM 0 HH12 ARG A 12 3.960 -14.561 -1.465 1.00 12.44 H new ATOM 0 HH21 ARG A 12 5.693 -11.922 -3.032 1.00 31.41 H new ATOM 0 HH22 ARG A 12 5.006 -13.538 -3.226 1.00 31.41 H new ATOM 124 N ILE A 13 4.541 -7.542 3.827 1.00 41.50 N ATOM 125 CA ILE A 13 4.922 -7.190 5.189 1.00 33.14 C ATOM 126 C ILE A 13 3.700 -7.114 6.099 1.00 2.31 C ATOM 127 O ILE A 13 3.753 -7.513 7.263 1.00 3.01 O ATOM 128 CB ILE A 13 5.668 -5.843 5.236 1.00 35.40 C ATOM 129 CG1 ILE A 13 4.857 -4.762 4.519 1.00 11.43 C ATOM 130 CG2 ILE A 13 7.048 -5.980 4.611 1.00 74.34 C ATOM 131 CD1 ILE A 13 5.544 -3.415 4.485 1.00 3.40 C ATOM 0 H ILE A 13 4.881 -6.897 3.114 1.00 41.50 H new ATOM 0 HA ILE A 13 5.588 -7.977 5.543 1.00 33.14 H new ATOM 0 HB ILE A 13 5.791 -5.548 6.278 1.00 35.40 H new ATOM 0 HG12 ILE A 13 4.659 -5.086 3.497 1.00 11.43 H new ATOM 0 HG13 ILE A 13 3.891 -4.656 5.013 1.00 11.43 H new ATOM 0 HG21 ILE A 13 7.563 -5.020 4.652 1.00 74.34 H new ATOM 0 HG22 ILE A 13 7.624 -6.724 5.161 1.00 74.34 H new ATOM 0 HG23 ILE A 13 6.947 -6.294 3.572 1.00 74.34 H new ATOM 0 HD11 ILE A 13 4.912 -2.697 3.962 1.00 3.40 H new ATOM 0 HD12 ILE A 13 5.718 -3.070 5.504 1.00 3.40 H new ATOM 0 HD13 ILE A 13 6.497 -3.506 3.965 1.00 3.40 H new ATOM 143 N LEU A 14 2.600 -6.600 5.561 1.00 72.04 N ATOM 144 CA LEU A 14 1.363 -6.473 6.323 1.00 54.21 C ATOM 145 C LEU A 14 0.804 -7.845 6.687 1.00 11.43 C ATOM 146 O LEU A 14 0.413 -8.084 7.830 1.00 74.43 O ATOM 147 CB LEU A 14 0.326 -5.684 5.522 1.00 53.52 C ATOM 148 CG LEU A 14 0.224 -4.192 5.842 1.00 54.21 C ATOM 149 CD1 LEU A 14 -0.443 -3.980 7.192 1.00 22.15 C ATOM 150 CD2 LEU A 14 1.601 -3.546 5.818 1.00 41.33 C ATOM 0 H LEU A 14 2.539 -6.264 4.600 1.00 72.04 H new ATOM 0 HA LEU A 14 1.587 -5.936 7.245 1.00 54.21 H new ATOM 0 HB2 LEU A 14 0.555 -5.793 4.462 1.00 53.52 H new ATOM 0 HB3 LEU A 14 -0.652 -6.138 5.685 1.00 53.52 H new ATOM 0 HG LEU A 14 -0.391 -3.717 5.078 1.00 54.21 H new ATOM 0 HD11 LEU A 14 -0.507 -2.912 7.403 1.00 22.15 H new ATOM 0 HD12 LEU A 14 -1.446 -4.407 7.173 1.00 22.15 H new ATOM 0 HD13 LEU A 14 0.145 -4.469 7.969 1.00 22.15 H new ATOM 0 HD21 LEU A 14 1.509 -2.484 6.048 1.00 41.33 H new ATOM 0 HD22 LEU A 14 2.240 -4.024 6.560 1.00 41.33 H new ATOM 0 HD23 LEU A 14 2.042 -3.666 4.828 1.00 41.33 H new ATOM 162 N LYS A 15 0.771 -8.743 5.709 1.00 24.21 N ATOM 163 CA LYS A 15 0.264 -10.093 5.926 1.00 44.00 C ATOM 164 C LYS A 15 1.213 -10.895 6.811 1.00 11.35 C ATOM 165 O LYS A 15 0.815 -11.882 7.430 1.00 62.33 O ATOM 166 CB LYS A 15 0.072 -10.809 4.587 1.00 10.11 C ATOM 167 CG LYS A 15 -0.683 -12.122 4.703 1.00 43.05 C ATOM 168 CD LYS A 15 -0.845 -12.792 3.349 1.00 74.53 C ATOM 169 CE LYS A 15 -2.128 -12.353 2.660 1.00 72.03 C ATOM 170 NZ LYS A 15 -1.997 -10.998 2.056 1.00 15.12 N ATOM 0 H LYS A 15 1.090 -8.560 4.757 1.00 24.21 H new ATOM 0 HA LYS A 15 -0.699 -10.016 6.432 1.00 44.00 H new ATOM 0 HB2 LYS A 15 -0.465 -10.149 3.905 1.00 10.11 H new ATOM 0 HB3 LYS A 15 1.049 -10.999 4.143 1.00 10.11 H new ATOM 0 HG2 LYS A 15 -0.151 -12.791 5.380 1.00 43.05 H new ATOM 0 HG3 LYS A 15 -1.665 -11.941 5.141 1.00 43.05 H new ATOM 0 HD2 LYS A 15 0.010 -12.550 2.717 1.00 74.53 H new ATOM 0 HD3 LYS A 15 -0.851 -13.875 3.476 1.00 74.53 H new ATOM 0 HE2 LYS A 15 -2.388 -13.073 1.884 1.00 72.03 H new ATOM 0 HE3 LYS A 15 -2.945 -12.352 3.381 1.00 72.03 H new ATOM 0 HZ1 LYS A 15 -2.612 -10.930 1.220 1.00 15.12 H new ATOM 0 HZ2 LYS A 15 -2.278 -10.279 2.753 1.00 15.12 H new ATOM 0 HZ3 LYS A 15 -1.009 -10.838 1.773 1.00 15.12 H new ATOM 184 N PHE A 16 2.468 -10.463 6.869 1.00 3.32 N ATOM 185 CA PHE A 16 3.473 -11.140 7.680 1.00 64.31 C ATOM 186 C PHE A 16 3.169 -10.983 9.167 1.00 44.31 C ATOM 187 O PHE A 16 3.037 -11.969 9.893 1.00 3.33 O ATOM 188 CB PHE A 16 4.866 -10.587 7.371 1.00 1.01 C ATOM 189 CG PHE A 16 5.942 -11.138 8.263 1.00 75.40 C ATOM 190 CD1 PHE A 16 6.376 -12.446 8.120 1.00 73.32 C ATOM 191 CD2 PHE A 16 6.518 -10.349 9.245 1.00 12.20 C ATOM 192 CE1 PHE A 16 7.365 -12.957 8.939 1.00 44.24 C ATOM 193 CE2 PHE A 16 7.508 -10.854 10.066 1.00 1.44 C ATOM 194 CZ PHE A 16 7.932 -12.159 9.914 1.00 74.51 C ATOM 0 H PHE A 16 2.814 -9.647 6.364 1.00 3.32 H new ATOM 0 HA PHE A 16 3.448 -12.201 7.433 1.00 64.31 H new ATOM 0 HB2 PHE A 16 5.115 -10.811 6.334 1.00 1.01 H new ATOM 0 HB3 PHE A 16 4.847 -9.501 7.467 1.00 1.01 H new ATOM 0 HD1 PHE A 16 5.936 -13.074 7.359 1.00 73.32 H new ATOM 0 HD2 PHE A 16 6.190 -9.328 9.370 1.00 12.20 H new ATOM 0 HE1 PHE A 16 7.694 -13.978 8.817 1.00 44.24 H new ATOM 0 HE2 PHE A 16 7.950 -10.228 10.827 1.00 1.44 H new ATOM 0 HZ PHE A 16 8.705 -12.555 10.556 1.00 74.51 H new ATOM 204 N LEU A 17 3.060 -9.736 9.613 1.00 23.32 N ATOM 205 CA LEU A 17 2.772 -9.448 11.014 1.00 44.41 C ATOM 206 C LEU A 17 1.408 -10.000 11.415 1.00 64.44 C ATOM 207 O LEU A 17 1.229 -10.487 12.530 1.00 22.04 O ATOM 208 CB LEU A 17 2.818 -7.939 11.264 1.00 74.20 C ATOM 209 CG LEU A 17 1.687 -7.121 10.639 1.00 31.12 C ATOM 210 CD1 LEU A 17 0.753 -6.592 11.716 1.00 11.33 C ATOM 211 CD2 LEU A 17 2.252 -5.976 9.811 1.00 73.43 C ATOM 0 H LEU A 17 3.167 -8.909 9.025 1.00 23.32 H new ATOM 0 HA LEU A 17 3.533 -9.935 11.623 1.00 44.41 H new ATOM 0 HB2 LEU A 17 2.811 -7.769 12.341 1.00 74.20 H new ATOM 0 HB3 LEU A 17 3.767 -7.557 10.887 1.00 74.20 H new ATOM 0 HG LEU A 17 1.115 -7.773 9.979 1.00 31.12 H new ATOM 0 HD11 LEU A 17 -0.045 -6.012 11.253 1.00 11.33 H new ATOM 0 HD12 LEU A 17 0.322 -7.428 12.267 1.00 11.33 H new ATOM 0 HD13 LEU A 17 1.312 -5.956 12.402 1.00 11.33 H new ATOM 0 HD21 LEU A 17 1.433 -5.405 9.374 1.00 73.43 H new ATOM 0 HD22 LEU A 17 2.848 -5.325 10.450 1.00 73.43 H new ATOM 0 HD23 LEU A 17 2.880 -6.377 9.015 1.00 73.43 H new ATOM 223 N GLU A 18 0.451 -9.923 10.495 1.00 30.24 N ATOM 224 CA GLU A 18 -0.896 -10.417 10.754 1.00 74.45 C ATOM 225 C GLU A 18 -0.935 -11.942 10.707 1.00 22.21 C ATOM 226 O GLU A 18 -1.873 -12.565 11.203 1.00 13.51 O ATOM 227 CB GLU A 18 -1.879 -9.840 9.733 1.00 75.21 C ATOM 228 CG GLU A 18 -2.131 -8.352 9.905 1.00 52.34 C ATOM 229 CD GLU A 18 -3.016 -7.780 8.814 1.00 40.01 C ATOM 230 OE1 GLU A 18 -3.052 -8.364 7.711 1.00 64.11 O ATOM 231 OE2 GLU A 18 -3.673 -6.748 9.064 1.00 12.23 O ATOM 0 H GLU A 18 0.583 -9.524 9.566 1.00 30.24 H new ATOM 0 HA GLU A 18 -1.188 -10.094 11.753 1.00 74.45 H new ATOM 0 HB2 GLU A 18 -1.495 -10.021 8.729 1.00 75.21 H new ATOM 0 HB3 GLU A 18 -2.827 -10.372 9.813 1.00 75.21 H new ATOM 0 HG2 GLU A 18 -2.596 -8.176 10.875 1.00 52.34 H new ATOM 0 HG3 GLU A 18 -1.178 -7.824 9.908 1.00 52.34 H new ATOM 238 N GLU A 19 0.092 -12.536 10.107 1.00 70.31 N ATOM 239 CA GLU A 19 0.175 -13.988 9.994 1.00 14.34 C ATOM 240 C GLU A 19 0.643 -14.609 11.307 1.00 34.41 C ATOM 241 O GLU A 19 0.475 -15.808 11.534 1.00 31.50 O ATOM 242 CB GLU A 19 1.127 -14.380 8.863 1.00 22.43 C ATOM 243 CG GLU A 19 1.454 -15.864 8.830 1.00 1.12 C ATOM 244 CD GLU A 19 2.197 -16.270 7.572 1.00 10.31 C ATOM 245 OE1 GLU A 19 3.049 -15.484 7.108 1.00 42.34 O ATOM 246 OE2 GLU A 19 1.926 -17.372 7.052 1.00 24.21 O ATOM 0 H GLU A 19 0.877 -12.035 9.692 1.00 70.31 H new ATOM 0 HA GLU A 19 -0.821 -14.367 9.767 1.00 14.34 H new ATOM 0 HB2 GLU A 19 0.683 -14.093 7.910 1.00 22.43 H new ATOM 0 HB3 GLU A 19 2.053 -13.815 8.966 1.00 22.43 H new ATOM 0 HG2 GLU A 19 2.057 -16.119 9.702 1.00 1.12 H new ATOM 0 HG3 GLU A 19 0.530 -16.438 8.903 1.00 1.12 H new ATOM 253 N LEU A 20 1.230 -13.786 12.168 1.00 24.21 N ATOM 254 CA LEU A 20 1.724 -14.254 13.459 1.00 51.12 C ATOM 255 C LEU A 20 0.907 -13.660 14.602 1.00 73.32 C ATOM 256 O LEU A 20 0.743 -14.283 15.650 1.00 1.12 O ATOM 257 CB LEU A 20 3.199 -13.886 13.627 1.00 41.12 C ATOM 258 CG LEU A 20 3.487 -12.452 14.072 1.00 14.24 C ATOM 259 CD1 LEU A 20 3.582 -12.373 15.588 1.00 14.32 C ATOM 260 CD2 LEU A 20 4.767 -11.940 13.429 1.00 52.34 C ATOM 0 H LEU A 20 1.376 -12.791 11.996 1.00 24.21 H new ATOM 0 HA LEU A 20 1.621 -15.339 13.488 1.00 51.12 H new ATOM 0 HB2 LEU A 20 3.642 -14.567 14.354 1.00 41.12 H new ATOM 0 HB3 LEU A 20 3.706 -14.059 12.678 1.00 41.12 H new ATOM 0 HG LEU A 20 2.662 -11.819 13.746 1.00 14.24 H new ATOM 0 HD11 LEU A 20 3.787 -11.345 15.887 1.00 14.32 H new ATOM 0 HD12 LEU A 20 2.640 -12.698 16.029 1.00 14.32 H new ATOM 0 HD13 LEU A 20 4.387 -13.020 15.936 1.00 14.32 H new ATOM 0 HD21 LEU A 20 4.956 -10.918 13.757 1.00 52.34 H new ATOM 0 HD22 LEU A 20 5.602 -12.576 13.724 1.00 52.34 H new ATOM 0 HD23 LEU A 20 4.662 -11.959 12.344 1.00 52.34 H new ATOM 272 N GLY A 21 0.393 -12.452 14.391 1.00 63.05 N ATOM 273 CA GLY A 21 -0.403 -11.795 15.411 1.00 63.41 C ATOM 274 C GLY A 21 -0.528 -10.303 15.178 1.00 42.05 C ATOM 275 O GLY A 21 0.461 -9.573 15.245 1.00 73.35 O ATOM 0 H GLY A 21 0.514 -11.917 13.531 1.00 63.05 H new ATOM 0 HA2 GLY A 21 -1.398 -12.240 15.434 1.00 63.41 H new ATOM 0 HA3 GLY A 21 0.048 -11.970 16.388 1.00 63.41 H new ATOM 279 N GLU A 22 -1.746 -9.849 14.901 1.00 12.21 N ATOM 280 CA GLU A 22 -1.995 -8.433 14.654 1.00 34.43 C ATOM 281 C GLU A 22 -1.844 -7.622 15.938 1.00 33.52 C ATOM 282 O GLU A 22 -2.442 -7.946 16.964 1.00 53.24 O ATOM 283 CB GLU A 22 -3.397 -8.233 14.074 1.00 63.15 C ATOM 284 CG GLU A 22 -4.513 -8.598 15.037 1.00 30.44 C ATOM 285 CD GLU A 22 -5.882 -8.556 14.387 1.00 33.02 C ATOM 286 OE1 GLU A 22 -6.110 -9.330 13.433 1.00 4.35 O ATOM 287 OE2 GLU A 22 -6.726 -7.750 14.831 1.00 1.24 O ATOM 0 H GLU A 22 -2.575 -10.440 14.842 1.00 12.21 H new ATOM 0 HA GLU A 22 -1.257 -8.081 13.933 1.00 34.43 H new ATOM 0 HB2 GLU A 22 -3.512 -7.191 13.776 1.00 63.15 H new ATOM 0 HB3 GLU A 22 -3.497 -8.835 13.171 1.00 63.15 H new ATOM 0 HG2 GLU A 22 -4.334 -9.598 15.433 1.00 30.44 H new ATOM 0 HG3 GLU A 22 -4.496 -7.912 15.884 1.00 30.44 H new ATOM 294 N GLY A 23 -1.039 -6.566 15.873 1.00 31.30 N ATOM 295 CA GLY A 23 -0.823 -5.726 17.036 1.00 43.40 C ATOM 296 C GLY A 23 0.342 -6.198 17.884 1.00 14.30 C ATOM 297 O GLY A 23 0.446 -5.847 19.060 1.00 70.23 O ATOM 0 H GLY A 23 -0.533 -6.277 15.036 1.00 31.30 H new ATOM 0 HA2 GLY A 23 -0.641 -4.702 16.712 1.00 43.40 H new ATOM 0 HA3 GLY A 23 -1.728 -5.712 17.643 1.00 43.40 H new ATOM 301 N LYS A 24 1.220 -6.997 17.288 1.00 33.20 N ATOM 302 CA LYS A 24 2.383 -7.519 17.995 1.00 32.55 C ATOM 303 C LYS A 24 3.672 -7.156 17.266 1.00 70.24 C ATOM 304 O LYS A 24 3.648 -6.452 16.257 1.00 54.03 O ATOM 305 CB LYS A 24 2.277 -9.039 18.140 1.00 22.34 C ATOM 306 CG LYS A 24 0.937 -9.507 18.680 1.00 32.14 C ATOM 307 CD LYS A 24 0.845 -11.024 18.708 1.00 4.42 C ATOM 308 CE LYS A 24 1.519 -11.600 19.944 1.00 2.00 C ATOM 309 NZ LYS A 24 2.840 -12.208 19.623 1.00 60.21 N ATOM 0 H LYS A 24 1.148 -7.297 16.316 1.00 33.20 H new ATOM 0 HA LYS A 24 2.408 -7.066 18.986 1.00 32.55 H new ATOM 0 HB2 LYS A 24 2.449 -9.501 17.168 1.00 22.34 H new ATOM 0 HB3 LYS A 24 3.068 -9.388 18.803 1.00 22.34 H new ATOM 0 HG2 LYS A 24 0.792 -9.114 19.686 1.00 32.14 H new ATOM 0 HG3 LYS A 24 0.134 -9.104 18.062 1.00 32.14 H new ATOM 0 HD2 LYS A 24 -0.202 -11.327 18.689 1.00 4.42 H new ATOM 0 HD3 LYS A 24 1.312 -11.435 17.813 1.00 4.42 H new ATOM 0 HE2 LYS A 24 1.652 -10.812 20.685 1.00 2.00 H new ATOM 0 HE3 LYS A 24 0.872 -12.354 20.393 1.00 2.00 H new ATOM 0 HZ1 LYS A 24 3.267 -12.589 20.491 1.00 60.21 H new ATOM 0 HZ2 LYS A 24 2.710 -12.977 18.935 1.00 60.21 H new ATOM 0 HZ3 LYS A 24 3.467 -11.483 19.218 1.00 60.21 H new ATOM 323 N ALA A 25 4.796 -7.643 17.782 1.00 50.44 N ATOM 324 CA ALA A 25 6.094 -7.372 17.177 1.00 41.25 C ATOM 325 C ALA A 25 6.643 -8.611 16.477 1.00 0.31 C ATOM 326 O ALA A 25 6.028 -9.677 16.506 1.00 75.05 O ATOM 327 CB ALA A 25 7.075 -6.880 18.230 1.00 3.03 C ATOM 0 H ALA A 25 4.834 -8.227 18.617 1.00 50.44 H new ATOM 0 HA ALA A 25 5.962 -6.592 16.427 1.00 41.25 H new ATOM 0 HB1 ALA A 25 8.040 -6.682 17.764 1.00 3.03 H new ATOM 0 HB2 ALA A 25 6.695 -5.964 18.681 1.00 3.03 H new ATOM 0 HB3 ALA A 25 7.194 -7.642 19.001 1.00 3.03 H new ATOM 333 N THR A 26 7.805 -8.464 15.848 1.00 1.32 N ATOM 334 CA THR A 26 8.436 -9.570 15.140 1.00 70.13 C ATOM 335 C THR A 26 9.952 -9.413 15.113 1.00 10.03 C ATOM 336 O THR A 26 10.486 -8.372 15.499 1.00 61.34 O ATOM 337 CB THR A 26 7.917 -9.680 13.693 1.00 3.44 C ATOM 338 OG1 THR A 26 8.387 -10.893 13.095 1.00 1.21 O ATOM 339 CG2 THR A 26 8.373 -8.489 12.863 1.00 24.24 C ATOM 0 H THR A 26 8.328 -7.589 15.815 1.00 1.32 H new ATOM 0 HA THR A 26 8.177 -10.480 15.682 1.00 70.13 H new ATOM 0 HB THR A 26 6.827 -9.688 13.720 1.00 3.44 H new ATOM 0 HG1 THR A 26 8.034 -10.966 12.184 1.00 1.21 H new ATOM 0 HG21 THR A 26 7.995 -8.588 11.846 1.00 24.24 H new ATOM 0 HG22 THR A 26 7.989 -7.569 13.305 1.00 24.24 H new ATOM 0 HG23 THR A 26 9.462 -8.455 12.843 1.00 24.24 H new ATOM 347 N THR A 27 10.642 -10.453 14.655 1.00 4.25 N ATOM 348 CA THR A 27 12.098 -10.430 14.579 1.00 34.32 C ATOM 349 C THR A 27 12.575 -10.561 13.137 1.00 14.03 C ATOM 350 O THR A 27 11.832 -11.012 12.266 1.00 15.12 O ATOM 351 CB THR A 27 12.722 -11.561 15.419 1.00 53.21 C ATOM 352 OG1 THR A 27 12.291 -12.834 14.924 1.00 43.41 O ATOM 353 CG2 THR A 27 12.335 -11.423 16.884 1.00 61.52 C ATOM 0 H THR A 27 10.216 -11.322 14.331 1.00 4.25 H new ATOM 0 HA THR A 27 12.421 -9.469 14.980 1.00 34.32 H new ATOM 0 HB THR A 27 13.807 -11.489 15.338 1.00 53.21 H new ATOM 0 HG1 THR A 27 12.693 -13.547 15.462 1.00 43.41 H new ATOM 0 HG21 THR A 27 12.787 -12.232 17.458 1.00 61.52 H new ATOM 0 HG22 THR A 27 12.690 -10.466 17.265 1.00 61.52 H new ATOM 0 HG23 THR A 27 11.250 -11.472 16.980 1.00 61.52 H new ATOM 361 N ALA A 28 13.819 -10.164 12.892 1.00 22.24 N ATOM 362 CA ALA A 28 14.396 -10.240 11.556 1.00 41.10 C ATOM 363 C ALA A 28 14.431 -11.679 11.054 1.00 74.34 C ATOM 364 O ALA A 28 14.061 -11.958 9.913 1.00 61.35 O ATOM 365 CB ALA A 28 15.796 -9.643 11.551 1.00 72.42 C ATOM 0 H ALA A 28 14.447 -9.786 13.602 1.00 22.24 H new ATOM 0 HA ALA A 28 13.764 -9.663 10.881 1.00 41.10 H new ATOM 0 HB1 ALA A 28 16.215 -9.706 10.547 1.00 72.42 H new ATOM 0 HB2 ALA A 28 15.747 -8.598 11.859 1.00 72.42 H new ATOM 0 HB3 ALA A 28 16.430 -10.196 12.244 1.00 72.42 H new ATOM 371 N HIS A 29 14.877 -12.590 11.912 1.00 23.43 N ATOM 372 CA HIS A 29 14.960 -14.002 11.555 1.00 61.12 C ATOM 373 C HIS A 29 13.630 -14.500 10.998 1.00 70.41 C ATOM 374 O HIS A 29 13.597 -15.373 10.130 1.00 42.22 O ATOM 375 CB HIS A 29 15.361 -14.836 12.772 1.00 12.44 C ATOM 376 CG HIS A 29 16.602 -14.345 13.452 1.00 11.21 C ATOM 377 ND1 HIS A 29 17.872 -14.661 13.019 1.00 3.10 N ATOM 378 CD2 HIS A 29 16.762 -13.554 14.539 1.00 24.52 C ATOM 379 CE1 HIS A 29 18.761 -14.088 13.811 1.00 15.14 C ATOM 380 NE2 HIS A 29 18.113 -13.410 14.742 1.00 71.11 N ATOM 0 H HIS A 29 15.187 -12.376 12.860 1.00 23.43 H new ATOM 0 HA HIS A 29 15.722 -14.112 10.783 1.00 61.12 H new ATOM 0 HB2 HIS A 29 14.540 -14.836 13.489 1.00 12.44 H new ATOM 0 HB3 HIS A 29 15.512 -15.869 12.460 1.00 12.44 H new ATOM 0 HD2 HIS A 29 15.974 -13.118 15.135 1.00 24.52 H new ATOM 0 HE1 HIS A 29 19.834 -14.161 13.714 1.00 15.14 H new ATOM 0 HE2 HIS A 29 18.546 -12.868 15.490 1.00 71.11 H new ATOM 388 N ASP A 30 12.536 -13.941 11.503 1.00 20.43 N ATOM 389 CA ASP A 30 11.203 -14.329 11.056 1.00 1.22 C ATOM 390 C ASP A 30 10.837 -13.617 9.758 1.00 42.43 C ATOM 391 O ASP A 30 10.153 -14.178 8.901 1.00 51.32 O ATOM 392 CB ASP A 30 10.167 -14.011 12.136 1.00 64.21 C ATOM 393 CG ASP A 30 8.838 -14.694 11.881 1.00 12.34 C ATOM 394 OD1 ASP A 30 8.842 -15.810 11.321 1.00 11.33 O ATOM 395 OD2 ASP A 30 7.793 -14.112 12.242 1.00 40.44 O ATOM 0 H ASP A 30 12.546 -13.218 12.222 1.00 20.43 H new ATOM 0 HA ASP A 30 11.207 -15.403 10.872 1.00 1.22 H new ATOM 0 HB2 ASP A 30 10.552 -14.322 13.107 1.00 64.21 H new ATOM 0 HB3 ASP A 30 10.015 -12.933 12.184 1.00 64.21 H new ATOM 400 N LEU A 31 11.296 -12.378 9.619 1.00 41.21 N ATOM 401 CA LEU A 31 11.017 -11.587 8.425 1.00 75.50 C ATOM 402 C LEU A 31 11.737 -12.163 7.210 1.00 71.11 C ATOM 403 O LEU A 31 11.103 -12.636 6.266 1.00 2.34 O ATOM 404 CB LEU A 31 11.439 -10.133 8.641 1.00 23.43 C ATOM 405 CG LEU A 31 10.402 -9.224 9.301 1.00 41.23 C ATOM 406 CD1 LEU A 31 11.081 -8.041 9.975 1.00 73.51 C ATOM 407 CD2 LEU A 31 9.385 -8.744 8.276 1.00 50.14 C ATOM 0 H LEU A 31 11.863 -11.899 10.319 1.00 41.21 H new ATOM 0 HA LEU A 31 9.944 -11.622 8.239 1.00 75.50 H new ATOM 0 HB2 LEU A 31 12.341 -10.125 9.252 1.00 23.43 H new ATOM 0 HB3 LEU A 31 11.705 -9.705 7.674 1.00 23.43 H new ATOM 0 HG LEU A 31 9.876 -9.798 10.064 1.00 41.23 H new ATOM 0 HD11 LEU A 31 10.327 -7.405 10.439 1.00 73.51 H new ATOM 0 HD12 LEU A 31 11.770 -8.403 10.738 1.00 73.51 H new ATOM 0 HD13 LEU A 31 11.633 -7.466 9.231 1.00 73.51 H new ATOM 0 HD21 LEU A 31 8.654 -8.098 8.763 1.00 50.14 H new ATOM 0 HD22 LEU A 31 9.895 -8.187 7.491 1.00 50.14 H new ATOM 0 HD23 LEU A 31 8.876 -9.603 7.839 1.00 50.14 H new ATOM 419 N SER A 32 13.065 -12.122 7.241 1.00 1.32 N ATOM 420 CA SER A 32 13.872 -12.638 6.142 1.00 41.32 C ATOM 421 C SER A 32 13.571 -14.113 5.893 1.00 42.43 C ATOM 422 O SER A 32 13.780 -14.623 4.793 1.00 73.11 O ATOM 423 CB SER A 32 15.361 -12.453 6.443 1.00 34.13 C ATOM 424 OG SER A 32 15.704 -11.079 6.492 1.00 65.23 O ATOM 0 H SER A 32 13.605 -11.737 8.016 1.00 1.32 H new ATOM 0 HA SER A 32 13.618 -12.076 5.243 1.00 41.32 H new ATOM 0 HB2 SER A 32 15.605 -12.926 7.394 1.00 34.13 H new ATOM 0 HB3 SER A 32 15.955 -12.952 5.677 1.00 34.13 H new ATOM 0 HG SER A 32 15.771 -10.726 5.580 1.00 65.23 H new ATOM 430 N GLY A 33 13.079 -14.792 6.924 1.00 21.31 N ATOM 431 CA GLY A 33 12.757 -16.202 6.798 1.00 3.30 C ATOM 432 C GLY A 33 11.509 -16.440 5.971 1.00 1.24 C ATOM 433 O GLY A 33 11.523 -17.226 5.024 1.00 32.33 O ATOM 0 H GLY A 33 12.897 -14.391 7.844 1.00 21.31 H new ATOM 0 HA2 GLY A 33 13.597 -16.724 6.340 1.00 3.30 H new ATOM 0 HA3 GLY A 33 12.618 -16.630 7.791 1.00 3.30 H new ATOM 437 N LYS A 34 10.425 -15.760 6.330 1.00 23.13 N ATOM 438 CA LYS A 34 9.162 -15.901 5.616 1.00 11.11 C ATOM 439 C LYS A 34 9.186 -15.115 4.309 1.00 74.43 C ATOM 440 O LYS A 34 8.957 -15.672 3.234 1.00 54.00 O ATOM 441 CB LYS A 34 8.002 -15.421 6.491 1.00 54.12 C ATOM 442 CG LYS A 34 7.729 -16.318 7.686 1.00 5.21 C ATOM 443 CD LYS A 34 7.388 -17.734 7.254 1.00 12.02 C ATOM 444 CE LYS A 34 6.925 -18.579 8.431 1.00 25.31 C ATOM 445 NZ LYS A 34 8.057 -18.951 9.326 1.00 54.53 N ATOM 0 H LYS A 34 10.396 -15.105 7.112 1.00 23.13 H new ATOM 0 HA LYS A 34 9.021 -16.956 5.383 1.00 11.11 H new ATOM 0 HB2 LYS A 34 8.219 -14.413 6.846 1.00 54.12 H new ATOM 0 HB3 LYS A 34 7.100 -15.358 5.882 1.00 54.12 H new ATOM 0 HG2 LYS A 34 8.604 -16.336 8.336 1.00 5.21 H new ATOM 0 HG3 LYS A 34 6.906 -15.907 8.270 1.00 5.21 H new ATOM 0 HD2 LYS A 34 6.606 -17.706 6.495 1.00 12.02 H new ATOM 0 HD3 LYS A 34 8.262 -18.196 6.794 1.00 12.02 H new ATOM 0 HE2 LYS A 34 6.177 -18.029 9.001 1.00 25.31 H new ATOM 0 HE3 LYS A 34 6.442 -19.483 8.061 1.00 25.31 H new ATOM 0 HZ1 LYS A 34 7.701 -19.526 10.116 1.00 54.53 H new ATOM 0 HZ2 LYS A 34 8.759 -19.498 8.788 1.00 54.53 H new ATOM 0 HZ3 LYS A 34 8.502 -18.088 9.699 1.00 54.53 H new ATOM 459 N LEU A 35 9.465 -13.821 4.407 1.00 41.50 N ATOM 460 CA LEU A 35 9.520 -12.958 3.231 1.00 25.44 C ATOM 461 C LEU A 35 10.639 -13.393 2.289 1.00 34.25 C ATOM 462 O LEU A 35 10.618 -13.082 1.099 1.00 11.25 O ATOM 463 CB LEU A 35 9.729 -11.503 3.652 1.00 44.53 C ATOM 464 CG LEU A 35 8.531 -10.814 4.306 1.00 21.22 C ATOM 465 CD1 LEU A 35 8.567 -11.001 5.815 1.00 34.30 C ATOM 466 CD2 LEU A 35 8.506 -9.335 3.951 1.00 42.22 C ATOM 0 H LEU A 35 9.657 -13.345 5.288 1.00 41.50 H new ATOM 0 HA LEU A 35 8.571 -13.044 2.702 1.00 25.44 H new ATOM 0 HB2 LEU A 35 10.569 -11.464 4.346 1.00 44.53 H new ATOM 0 HB3 LEU A 35 10.016 -10.929 2.771 1.00 44.53 H new ATOM 0 HG LEU A 35 7.619 -11.274 3.924 1.00 21.22 H new ATOM 0 HD11 LEU A 35 7.707 -10.504 6.264 1.00 34.30 H new ATOM 0 HD12 LEU A 35 8.535 -12.065 6.051 1.00 34.30 H new ATOM 0 HD13 LEU A 35 9.485 -10.568 6.213 1.00 34.30 H new ATOM 0 HD21 LEU A 35 7.646 -8.861 4.425 1.00 42.22 H new ATOM 0 HD22 LEU A 35 9.422 -8.861 4.303 1.00 42.22 H new ATOM 0 HD23 LEU A 35 8.432 -9.222 2.869 1.00 42.22 H new ATOM 478 N GLY A 36 11.614 -14.117 2.831 1.00 73.32 N ATOM 479 CA GLY A 36 12.726 -14.585 2.024 1.00 33.12 C ATOM 480 C GLY A 36 13.584 -13.449 1.506 1.00 43.33 C ATOM 481 O GLY A 36 14.339 -13.617 0.547 1.00 23.34 O ATOM 0 H GLY A 36 11.654 -14.388 3.814 1.00 73.32 H new ATOM 0 HA2 GLY A 36 13.342 -15.261 2.617 1.00 33.12 H new ATOM 0 HA3 GLY A 36 12.343 -15.160 1.181 1.00 33.12 H new ATOM 485 N THR A 37 13.469 -12.285 2.139 1.00 61.32 N ATOM 486 CA THR A 37 14.239 -11.116 1.734 1.00 14.43 C ATOM 487 C THR A 37 15.489 -10.957 2.592 1.00 40.35 C ATOM 488 O THR A 37 15.584 -11.487 3.698 1.00 34.35 O ATOM 489 CB THR A 37 13.397 -9.829 1.830 1.00 1.14 C ATOM 490 OG1 THR A 37 12.429 -9.954 2.878 1.00 52.11 O ATOM 491 CG2 THR A 37 12.692 -9.544 0.513 1.00 44.42 C ATOM 0 H THR A 37 12.850 -12.127 2.934 1.00 61.32 H new ATOM 0 HA THR A 37 14.532 -11.274 0.696 1.00 14.43 H new ATOM 0 HB THR A 37 14.067 -8.998 2.052 1.00 1.14 H new ATOM 0 HG1 THR A 37 11.899 -9.131 2.934 1.00 52.11 H new ATOM 0 HG21 THR A 37 12.104 -8.631 0.605 1.00 44.42 H new ATOM 0 HG22 THR A 37 13.433 -9.420 -0.277 1.00 44.42 H new ATOM 0 HG23 THR A 37 12.033 -10.376 0.265 1.00 44.42 H new ATOM 499 N PRO A 38 16.473 -10.208 2.071 1.00 21.41 N ATOM 500 CA PRO A 38 17.736 -9.961 2.774 1.00 73.34 C ATOM 501 C PRO A 38 17.556 -9.056 3.987 1.00 2.14 C ATOM 502 O PRO A 38 16.660 -8.212 4.019 1.00 70.32 O ATOM 503 CB PRO A 38 18.601 -9.272 1.716 1.00 62.12 C ATOM 504 CG PRO A 38 17.627 -8.638 0.784 1.00 42.11 C ATOM 505 CD PRO A 38 16.429 -9.546 0.757 1.00 54.51 C ATOM 0 HA PRO A 38 18.171 -10.880 3.167 1.00 73.34 H new ATOM 0 HB2 PRO A 38 19.260 -8.529 2.166 1.00 62.12 H new ATOM 0 HB3 PRO A 38 19.237 -9.989 1.196 1.00 62.12 H new ATOM 0 HG2 PRO A 38 17.353 -7.640 1.126 1.00 42.11 H new ATOM 0 HG3 PRO A 38 18.055 -8.527 -0.212 1.00 42.11 H new ATOM 0 HD2 PRO A 38 15.504 -8.986 0.620 1.00 54.51 H new ATOM 0 HD3 PRO A 38 16.489 -10.267 -0.058 1.00 54.51 H new ATOM 513 N LYS A 39 18.414 -9.236 4.986 1.00 42.32 N ATOM 514 CA LYS A 39 18.352 -8.434 6.202 1.00 23.12 C ATOM 515 C LYS A 39 18.581 -6.958 5.893 1.00 11.03 C ATOM 516 O LYS A 39 18.122 -6.081 6.626 1.00 61.22 O ATOM 517 CB LYS A 39 19.393 -8.922 7.213 1.00 42.25 C ATOM 518 CG LYS A 39 19.156 -10.343 7.692 1.00 33.24 C ATOM 519 CD LYS A 39 20.381 -10.908 8.391 1.00 63.02 C ATOM 520 CE LYS A 39 20.427 -10.498 9.855 1.00 73.40 C ATOM 521 NZ LYS A 39 19.488 -11.303 10.685 1.00 25.34 N ATOM 0 H LYS A 39 19.161 -9.931 4.977 1.00 42.32 H new ATOM 0 HA LYS A 39 17.356 -8.547 6.631 1.00 23.12 H new ATOM 0 HB2 LYS A 39 20.383 -8.860 6.761 1.00 42.25 H new ATOM 0 HB3 LYS A 39 19.393 -8.253 8.073 1.00 42.25 H new ATOM 0 HG2 LYS A 39 18.306 -10.361 8.374 1.00 33.24 H new ATOM 0 HG3 LYS A 39 18.896 -10.975 6.843 1.00 33.24 H new ATOM 0 HD2 LYS A 39 20.374 -11.995 8.317 1.00 63.02 H new ATOM 0 HD3 LYS A 39 21.282 -10.560 7.886 1.00 63.02 H new ATOM 0 HE2 LYS A 39 21.442 -10.618 10.234 1.00 73.40 H new ATOM 0 HE3 LYS A 39 20.176 -9.441 9.944 1.00 73.40 H new ATOM 0 HZ1 LYS A 39 19.157 -10.731 11.488 1.00 25.34 H new ATOM 0 HZ2 LYS A 39 18.673 -11.592 10.106 1.00 25.34 H new ATOM 0 HZ3 LYS A 39 19.977 -12.149 11.041 1.00 25.34 H new ATOM 535 N LYS A 40 19.292 -6.690 4.803 1.00 11.54 N ATOM 536 CA LYS A 40 19.579 -5.320 4.395 1.00 44.30 C ATOM 537 C LYS A 40 18.316 -4.622 3.902 1.00 34.21 C ATOM 538 O LYS A 40 18.176 -3.407 4.034 1.00 52.23 O ATOM 539 CB LYS A 40 20.644 -5.306 3.296 1.00 71.25 C ATOM 540 CG LYS A 40 22.067 -5.307 3.827 1.00 71.24 C ATOM 541 CD LYS A 40 22.569 -6.720 4.073 1.00 1.11 C ATOM 542 CE LYS A 40 23.706 -6.739 5.083 1.00 2.02 C ATOM 543 NZ LYS A 40 25.003 -6.348 4.465 1.00 4.34 N ATOM 0 H LYS A 40 19.680 -7.404 4.186 1.00 11.54 H new ATOM 0 HA LYS A 40 19.955 -4.780 5.264 1.00 44.30 H new ATOM 0 HB2 LYS A 40 20.504 -6.176 2.655 1.00 71.25 H new ATOM 0 HB3 LYS A 40 20.499 -4.424 2.672 1.00 71.25 H new ATOM 0 HG2 LYS A 40 22.722 -4.806 3.115 1.00 71.24 H new ATOM 0 HG3 LYS A 40 22.110 -4.738 4.755 1.00 71.24 H new ATOM 0 HD2 LYS A 40 21.749 -7.341 4.435 1.00 1.11 H new ATOM 0 HD3 LYS A 40 22.908 -7.156 3.133 1.00 1.11 H new ATOM 0 HE2 LYS A 40 23.475 -6.059 5.903 1.00 2.02 H new ATOM 0 HE3 LYS A 40 23.794 -7.737 5.512 1.00 2.02 H new ATOM 0 HZ1 LYS A 40 25.752 -6.373 5.186 1.00 4.34 H new ATOM 0 HZ2 LYS A 40 25.237 -7.012 3.699 1.00 4.34 H new ATOM 0 HZ3 LYS A 40 24.927 -5.386 4.078 1.00 4.34 H new ATOM 557 N GLU A 41 17.398 -5.400 3.336 1.00 61.00 N ATOM 558 CA GLU A 41 16.146 -4.855 2.825 1.00 71.33 C ATOM 559 C GLU A 41 15.174 -4.563 3.964 1.00 3.44 C ATOM 560 O GLU A 41 14.725 -3.429 4.135 1.00 11.01 O ATOM 561 CB GLU A 41 15.507 -5.830 1.833 1.00 42.10 C ATOM 562 CG GLU A 41 14.216 -5.315 1.220 1.00 71.14 C ATOM 563 CD GLU A 41 14.457 -4.389 0.044 1.00 44.44 C ATOM 564 OE1 GLU A 41 15.552 -3.792 -0.026 1.00 4.14 O ATOM 565 OE2 GLU A 41 13.552 -4.260 -0.807 1.00 22.03 O ATOM 0 H GLU A 41 17.498 -6.408 3.220 1.00 61.00 H new ATOM 0 HA GLU A 41 16.370 -3.919 2.312 1.00 71.33 H new ATOM 0 HB2 GLU A 41 16.219 -6.042 1.035 1.00 42.10 H new ATOM 0 HB3 GLU A 41 15.307 -6.773 2.341 1.00 42.10 H new ATOM 0 HG2 GLU A 41 13.611 -6.161 0.894 1.00 71.14 H new ATOM 0 HG3 GLU A 41 13.642 -4.787 1.982 1.00 71.14 H new ATOM 572 N ILE A 42 14.855 -5.593 4.740 1.00 14.35 N ATOM 573 CA ILE A 42 13.937 -5.446 5.864 1.00 62.43 C ATOM 574 C ILE A 42 14.405 -4.351 6.816 1.00 33.12 C ATOM 575 O ILE A 42 13.593 -3.632 7.398 1.00 32.52 O ATOM 576 CB ILE A 42 13.792 -6.764 6.647 1.00 75.41 C ATOM 577 CG1 ILE A 42 15.149 -7.212 7.193 1.00 42.53 C ATOM 578 CG2 ILE A 42 13.190 -7.844 5.760 1.00 54.12 C ATOM 579 CD1 ILE A 42 15.388 -6.800 8.629 1.00 64.44 C ATOM 0 H ILE A 42 15.218 -6.538 4.612 1.00 14.35 H new ATOM 0 HA ILE A 42 12.968 -5.172 5.447 1.00 62.43 H new ATOM 0 HB ILE A 42 13.121 -6.596 7.489 1.00 75.41 H new ATOM 0 HG12 ILE A 42 15.222 -8.297 7.118 1.00 42.53 H new ATOM 0 HG13 ILE A 42 15.939 -6.796 6.568 1.00 42.53 H new ATOM 0 HG21 ILE A 42 13.094 -8.769 6.328 1.00 54.12 H new ATOM 0 HG22 ILE A 42 12.206 -7.526 5.416 1.00 54.12 H new ATOM 0 HG23 ILE A 42 13.838 -8.012 4.900 1.00 54.12 H new ATOM 0 HD11 ILE A 42 16.369 -7.151 8.950 1.00 64.44 H new ATOM 0 HD12 ILE A 42 15.348 -5.714 8.707 1.00 64.44 H new ATOM 0 HD13 ILE A 42 14.620 -7.238 9.266 1.00 64.44 H new ATOM 591 N ALA A 43 15.719 -4.229 6.969 1.00 42.31 N ATOM 592 CA ALA A 43 16.295 -3.218 7.848 1.00 64.45 C ATOM 593 C ALA A 43 16.158 -1.824 7.245 1.00 20.22 C ATOM 594 O ALA A 43 16.139 -0.826 7.965 1.00 12.14 O ATOM 595 CB ALA A 43 17.758 -3.533 8.126 1.00 34.33 C ATOM 0 H ALA A 43 16.405 -4.817 6.496 1.00 42.31 H new ATOM 0 HA ALA A 43 15.745 -3.234 8.789 1.00 64.45 H new ATOM 0 HB1 ALA A 43 18.176 -2.770 8.783 1.00 34.33 H new ATOM 0 HB2 ALA A 43 17.835 -4.508 8.607 1.00 34.33 H new ATOM 0 HB3 ALA A 43 18.312 -3.546 7.187 1.00 34.33 H new ATOM 601 N ARG A 44 16.064 -1.763 5.921 1.00 34.40 N ATOM 602 CA ARG A 44 15.930 -0.491 5.222 1.00 0.12 C ATOM 603 C ARG A 44 14.496 0.024 5.299 1.00 33.14 C ATOM 604 O ARG A 44 14.249 1.138 5.762 1.00 73.31 O ATOM 605 CB ARG A 44 16.351 -0.641 3.759 1.00 21.52 C ATOM 606 CG ARG A 44 16.890 0.640 3.146 1.00 43.34 C ATOM 607 CD ARG A 44 17.531 0.383 1.791 1.00 74.25 C ATOM 608 NE ARG A 44 18.070 1.604 1.199 1.00 53.40 N ATOM 609 CZ ARG A 44 17.327 2.501 0.559 1.00 62.20 C ATOM 610 NH1 ARG A 44 16.021 2.313 0.429 1.00 41.40 N ATOM 611 NH2 ARG A 44 17.891 3.588 0.048 1.00 70.22 N ATOM 0 H ARG A 44 16.078 -2.580 5.311 1.00 34.40 H new ATOM 0 HA ARG A 44 16.584 0.232 5.709 1.00 0.12 H new ATOM 0 HB2 ARG A 44 17.113 -1.417 3.687 1.00 21.52 H new ATOM 0 HB3 ARG A 44 15.495 -0.980 3.176 1.00 21.52 H new ATOM 0 HG2 ARG A 44 16.080 1.361 3.035 1.00 43.34 H new ATOM 0 HG3 ARG A 44 17.623 1.086 3.818 1.00 43.34 H new ATOM 0 HD2 ARG A 44 18.331 -0.350 1.902 1.00 74.25 H new ATOM 0 HD3 ARG A 44 16.792 -0.051 1.117 1.00 74.25 H new ATOM 0 HE ARG A 44 19.072 1.778 1.281 1.00 53.40 H new ATOM 0 HH11 ARG A 44 15.584 1.478 0.821 1.00 41.40 H new ATOM 0 HH12 ARG A 44 15.453 3.003 -0.063 1.00 41.40 H new ATOM 0 HH21 ARG A 44 18.895 3.736 0.146 1.00 70.22 H new ATOM 0 HH22 ARG A 44 17.320 4.276 -0.443 1.00 70.22 H new ATOM 625 N VAL A 45 13.553 -0.795 4.843 1.00 42.33 N ATOM 626 CA VAL A 45 12.143 -0.423 4.860 1.00 5.13 C ATOM 627 C VAL A 45 11.679 -0.097 6.275 1.00 11.42 C ATOM 628 O VAL A 45 10.807 0.750 6.474 1.00 12.24 O ATOM 629 CB VAL A 45 11.259 -1.547 4.288 1.00 44.21 C ATOM 630 CG1 VAL A 45 11.562 -1.766 2.814 1.00 65.35 C ATOM 631 CG2 VAL A 45 11.454 -2.832 5.078 1.00 64.12 C ATOM 0 H VAL A 45 13.740 -1.721 4.457 1.00 42.33 H new ATOM 0 HA VAL A 45 12.041 0.463 4.233 1.00 5.13 H new ATOM 0 HB VAL A 45 10.215 -1.247 4.379 1.00 44.21 H new ATOM 0 HG11 VAL A 45 10.928 -2.564 2.427 1.00 65.35 H new ATOM 0 HG12 VAL A 45 11.366 -0.847 2.262 1.00 65.35 H new ATOM 0 HG13 VAL A 45 12.609 -2.045 2.695 1.00 65.35 H new ATOM 0 HG21 VAL A 45 10.822 -3.615 4.660 1.00 64.12 H new ATOM 0 HG22 VAL A 45 12.498 -3.139 5.021 1.00 64.12 H new ATOM 0 HG23 VAL A 45 11.182 -2.663 6.120 1.00 64.12 H new ATOM 641 N LEU A 46 12.267 -0.773 7.256 1.00 71.13 N ATOM 642 CA LEU A 46 11.914 -0.555 8.654 1.00 20.13 C ATOM 643 C LEU A 46 12.289 0.855 9.097 1.00 3.51 C ATOM 644 O LEU A 46 11.510 1.535 9.764 1.00 10.30 O ATOM 645 CB LEU A 46 12.614 -1.584 9.544 1.00 72.33 C ATOM 646 CG LEU A 46 11.755 -2.759 10.015 1.00 43.34 C ATOM 647 CD1 LEU A 46 10.724 -2.292 11.030 1.00 33.41 C ATOM 648 CD2 LEU A 46 11.075 -3.431 8.831 1.00 41.43 C ATOM 0 H LEU A 46 12.991 -1.477 7.109 1.00 71.13 H new ATOM 0 HA LEU A 46 10.835 -0.672 8.753 1.00 20.13 H new ATOM 0 HB2 LEU A 46 13.471 -1.981 9.001 1.00 72.33 H new ATOM 0 HB3 LEU A 46 13.004 -1.070 10.422 1.00 72.33 H new ATOM 0 HG LEU A 46 12.405 -3.489 10.497 1.00 43.34 H new ATOM 0 HD11 LEU A 46 10.122 -3.141 11.354 1.00 33.41 H new ATOM 0 HD12 LEU A 46 11.232 -1.858 11.891 1.00 33.41 H new ATOM 0 HD13 LEU A 46 10.078 -1.542 10.574 1.00 33.41 H new ATOM 0 HD21 LEU A 46 10.468 -4.265 9.185 1.00 41.43 H new ATOM 0 HD22 LEU A 46 10.438 -2.709 8.320 1.00 41.43 H new ATOM 0 HD23 LEU A 46 11.831 -3.801 8.139 1.00 41.43 H new ATOM 660 N ALA A 47 13.487 1.290 8.720 1.00 63.55 N ATOM 661 CA ALA A 47 13.964 2.621 9.074 1.00 62.41 C ATOM 662 C ALA A 47 13.340 3.684 8.177 1.00 12.23 C ATOM 663 O ALA A 47 13.216 4.845 8.568 1.00 24.12 O ATOM 664 CB ALA A 47 15.482 2.678 8.986 1.00 1.10 C ATOM 0 H ALA A 47 14.145 0.739 8.169 1.00 63.55 H new ATOM 0 HA ALA A 47 13.662 2.827 10.101 1.00 62.41 H new ATOM 0 HB1 ALA A 47 15.825 3.678 9.253 1.00 1.10 H new ATOM 0 HB2 ALA A 47 15.914 1.951 9.674 1.00 1.10 H new ATOM 0 HB3 ALA A 47 15.796 2.446 7.968 1.00 1.10 H new ATOM 670 N SER A 48 12.948 3.281 6.973 1.00 70.21 N ATOM 671 CA SER A 48 12.340 4.201 6.019 1.00 63.13 C ATOM 672 C SER A 48 10.886 4.481 6.385 1.00 72.33 C ATOM 673 O SER A 48 10.409 5.610 6.265 1.00 4.32 O ATOM 674 CB SER A 48 12.420 3.627 4.603 1.00 45.12 C ATOM 675 OG SER A 48 12.077 4.605 3.636 1.00 33.31 O ATOM 0 H SER A 48 13.041 2.323 6.635 1.00 70.21 H new ATOM 0 HA SER A 48 12.893 5.140 6.055 1.00 63.13 H new ATOM 0 HB2 SER A 48 13.429 3.261 4.412 1.00 45.12 H new ATOM 0 HB3 SER A 48 11.749 2.773 4.515 1.00 45.12 H new ATOM 0 HG SER A 48 12.137 4.214 2.739 1.00 33.31 H new ATOM 681 N LEU A 49 10.185 3.444 6.831 1.00 50.21 N ATOM 682 CA LEU A 49 8.784 3.576 7.215 1.00 11.42 C ATOM 683 C LEU A 49 8.650 4.320 8.540 1.00 4.40 C ATOM 684 O LEU A 49 7.728 5.113 8.728 1.00 33.42 O ATOM 685 CB LEU A 49 8.132 2.197 7.324 1.00 60.11 C ATOM 686 CG LEU A 49 7.385 1.708 6.083 1.00 60.34 C ATOM 687 CD1 LEU A 49 6.103 2.501 5.884 1.00 32.01 C ATOM 688 CD2 LEU A 49 8.273 1.809 4.851 1.00 2.12 C ATOM 0 H LEU A 49 10.564 2.503 6.936 1.00 50.21 H new ATOM 0 HA LEU A 49 8.274 4.152 6.443 1.00 11.42 H new ATOM 0 HB2 LEU A 49 8.906 1.469 7.568 1.00 60.11 H new ATOM 0 HB3 LEU A 49 7.434 2.212 8.161 1.00 60.11 H new ATOM 0 HG LEU A 49 7.121 0.661 6.231 1.00 60.34 H new ATOM 0 HD11 LEU A 49 5.585 2.139 4.996 1.00 32.01 H new ATOM 0 HD12 LEU A 49 5.460 2.377 6.755 1.00 32.01 H new ATOM 0 HD13 LEU A 49 6.344 3.557 5.758 1.00 32.01 H new ATOM 0 HD21 LEU A 49 7.725 1.457 3.977 1.00 2.12 H new ATOM 0 HD22 LEU A 49 8.568 2.847 4.700 1.00 2.12 H new ATOM 0 HD23 LEU A 49 9.163 1.196 4.993 1.00 2.12 H new ATOM 700 N ALA A 50 9.579 4.061 9.455 1.00 43.15 N ATOM 701 CA ALA A 50 9.568 4.709 10.760 1.00 12.21 C ATOM 702 C ALA A 50 9.690 6.223 10.623 1.00 72.04 C ATOM 703 O ALA A 50 9.373 6.969 11.550 1.00 64.32 O ATOM 704 CB ALA A 50 10.691 4.164 11.630 1.00 40.13 C ATOM 0 H ALA A 50 10.349 3.407 9.316 1.00 43.15 H new ATOM 0 HA ALA A 50 8.613 4.490 11.238 1.00 12.21 H new ATOM 0 HB1 ALA A 50 10.670 4.657 12.602 1.00 40.13 H new ATOM 0 HB2 ALA A 50 10.558 3.091 11.765 1.00 40.13 H new ATOM 0 HB3 ALA A 50 11.650 4.353 11.147 1.00 40.13 H new ATOM 710 N LYS A 51 10.151 6.672 9.460 1.00 22.51 N ATOM 711 CA LYS A 51 10.315 8.097 9.200 1.00 31.20 C ATOM 712 C LYS A 51 9.022 8.854 9.486 1.00 41.10 C ATOM 713 O LYS A 51 9.047 9.986 9.970 1.00 23.34 O ATOM 714 CB LYS A 51 10.742 8.326 7.748 1.00 20.54 C ATOM 715 CG LYS A 51 11.507 9.620 7.536 1.00 2.33 C ATOM 716 CD LYS A 51 11.904 9.802 6.081 1.00 71.43 C ATOM 717 CE LYS A 51 12.992 8.820 5.673 1.00 32.32 C ATOM 718 NZ LYS A 51 13.724 9.275 4.459 1.00 53.40 N ATOM 0 H LYS A 51 10.418 6.069 8.682 1.00 22.51 H new ATOM 0 HA LYS A 51 11.092 8.475 9.865 1.00 31.20 H new ATOM 0 HB2 LYS A 51 11.362 7.490 7.424 1.00 20.54 H new ATOM 0 HB3 LYS A 51 9.856 8.330 7.114 1.00 20.54 H new ATOM 0 HG2 LYS A 51 10.893 10.463 7.855 1.00 2.33 H new ATOM 0 HG3 LYS A 51 12.400 9.622 8.161 1.00 2.33 H new ATOM 0 HD2 LYS A 51 11.030 9.664 5.444 1.00 71.43 H new ATOM 0 HD3 LYS A 51 12.255 10.822 5.923 1.00 71.43 H new ATOM 0 HE2 LYS A 51 13.696 8.696 6.496 1.00 32.32 H new ATOM 0 HE3 LYS A 51 12.547 7.843 5.484 1.00 32.32 H new ATOM 0 HZ1 LYS A 51 14.457 8.579 4.214 1.00 53.40 H new ATOM 0 HZ2 LYS A 51 13.057 9.369 3.667 1.00 53.40 H new ATOM 0 HZ3 LYS A 51 14.170 10.195 4.647 1.00 53.40 H new ATOM 732 N LYS A 52 7.893 8.222 9.184 1.00 13.55 N ATOM 733 CA LYS A 52 6.589 8.835 9.411 1.00 20.34 C ATOM 734 C LYS A 52 6.146 8.650 10.859 1.00 11.32 C ATOM 735 O LYS A 52 5.299 9.390 11.358 1.00 2.14 O ATOM 736 CB LYS A 52 5.547 8.230 8.467 1.00 4.02 C ATOM 737 CG LYS A 52 4.992 6.900 8.946 1.00 65.55 C ATOM 738 CD LYS A 52 4.179 6.212 7.861 1.00 1.55 C ATOM 739 CE LYS A 52 5.067 5.708 6.734 1.00 54.42 C ATOM 740 NZ LYS A 52 4.282 5.001 5.684 1.00 31.14 N ATOM 0 H LYS A 52 7.854 7.286 8.781 1.00 13.55 H new ATOM 0 HA LYS A 52 6.677 9.903 9.209 1.00 20.34 H new ATOM 0 HB2 LYS A 52 4.725 8.935 8.347 1.00 4.02 H new ATOM 0 HB3 LYS A 52 5.996 8.094 7.483 1.00 4.02 H new ATOM 0 HG2 LYS A 52 5.813 6.252 9.253 1.00 65.55 H new ATOM 0 HG3 LYS A 52 4.366 7.061 9.824 1.00 65.55 H new ATOM 0 HD2 LYS A 52 3.628 5.377 8.293 1.00 1.55 H new ATOM 0 HD3 LYS A 52 3.442 6.908 7.461 1.00 1.55 H new ATOM 0 HE2 LYS A 52 5.598 6.548 6.287 1.00 54.42 H new ATOM 0 HE3 LYS A 52 5.821 5.034 7.140 1.00 54.42 H new ATOM 0 HZ1 LYS A 52 4.879 4.852 4.845 1.00 31.14 H new ATOM 0 HZ2 LYS A 52 3.963 4.081 6.049 1.00 31.14 H new ATOM 0 HZ3 LYS A 52 3.455 5.575 5.423 1.00 31.14 H new ATOM 754 N GLY A 53 6.726 7.659 11.529 1.00 34.23 N ATOM 755 CA GLY A 53 6.378 7.397 12.914 1.00 62.42 C ATOM 756 C GLY A 53 5.389 6.257 13.058 1.00 63.25 C ATOM 757 O GLY A 53 4.782 6.081 14.114 1.00 52.02 O ATOM 0 H GLY A 53 7.430 7.033 11.138 1.00 34.23 H new ATOM 0 HA2 GLY A 53 7.283 7.162 13.474 1.00 62.42 H new ATOM 0 HA3 GLY A 53 5.955 8.299 13.356 1.00 62.42 H new ATOM 761 N LYS A 54 5.225 5.480 11.992 1.00 42.10 N ATOM 762 CA LYS A 54 4.303 4.351 12.002 1.00 33.04 C ATOM 763 C LYS A 54 5.038 3.050 12.309 1.00 44.34 C ATOM 764 O LYS A 54 4.435 2.075 12.758 1.00 2.03 O ATOM 765 CB LYS A 54 3.586 4.239 10.655 1.00 40.01 C ATOM 766 CG LYS A 54 2.522 3.155 10.620 1.00 44.21 C ATOM 767 CD LYS A 54 1.358 3.487 11.538 1.00 21.32 C ATOM 768 CE LYS A 54 0.192 2.534 11.326 1.00 73.15 C ATOM 769 NZ LYS A 54 -1.022 2.968 12.071 1.00 53.35 N ATOM 0 H LYS A 54 5.719 5.612 11.110 1.00 42.10 H new ATOM 0 HA LYS A 54 3.565 4.524 12.786 1.00 33.04 H new ATOM 0 HB2 LYS A 54 3.124 5.197 10.418 1.00 40.01 H new ATOM 0 HB3 LYS A 54 4.322 4.039 9.877 1.00 40.01 H new ATOM 0 HG2 LYS A 54 2.159 3.033 9.600 1.00 44.21 H new ATOM 0 HG3 LYS A 54 2.961 2.203 10.918 1.00 44.21 H new ATOM 0 HD2 LYS A 54 1.686 3.437 12.576 1.00 21.32 H new ATOM 0 HD3 LYS A 54 1.030 4.511 11.356 1.00 21.32 H new ATOM 0 HE2 LYS A 54 -0.038 2.472 10.262 1.00 73.15 H new ATOM 0 HE3 LYS A 54 0.478 1.533 11.649 1.00 73.15 H new ATOM 0 HZ1 LYS A 54 -1.794 2.292 11.900 1.00 53.35 H new ATOM 0 HZ2 LYS A 54 -0.811 3.003 13.089 1.00 53.35 H new ATOM 0 HZ3 LYS A 54 -1.310 3.913 11.745 1.00 53.35 H new ATOM 783 N LEU A 55 6.344 3.043 12.064 1.00 70.33 N ATOM 784 CA LEU A 55 7.163 1.862 12.315 1.00 73.32 C ATOM 785 C LEU A 55 8.012 2.044 13.569 1.00 53.32 C ATOM 786 O LEU A 55 8.240 3.168 14.017 1.00 72.45 O ATOM 787 CB LEU A 55 8.064 1.576 11.112 1.00 12.41 C ATOM 788 CG LEU A 55 7.672 0.376 10.250 1.00 62.12 C ATOM 789 CD1 LEU A 55 7.808 -0.916 11.040 1.00 31.15 C ATOM 790 CD2 LEU A 55 6.253 0.536 9.726 1.00 74.02 C ATOM 0 H LEU A 55 6.858 3.841 11.692 1.00 70.33 H new ATOM 0 HA LEU A 55 6.496 1.014 12.471 1.00 73.32 H new ATOM 0 HB2 LEU A 55 8.082 2.463 10.478 1.00 12.41 H new ATOM 0 HB3 LEU A 55 9.081 1.422 11.473 1.00 12.41 H new ATOM 0 HG LEU A 55 8.349 0.329 9.397 1.00 62.12 H new ATOM 0 HD11 LEU A 55 7.525 -1.759 10.410 1.00 31.15 H new ATOM 0 HD12 LEU A 55 8.841 -1.037 11.365 1.00 31.15 H new ATOM 0 HD13 LEU A 55 7.155 -0.879 11.912 1.00 31.15 H new ATOM 0 HD21 LEU A 55 5.991 -0.328 9.115 1.00 74.02 H new ATOM 0 HD22 LEU A 55 5.561 0.609 10.565 1.00 74.02 H new ATOM 0 HD23 LEU A 55 6.188 1.441 9.122 1.00 74.02 H new ATOM 802 N GLN A 56 8.478 0.933 14.129 1.00 72.44 N ATOM 803 CA GLN A 56 9.303 0.971 15.330 1.00 21.01 C ATOM 804 C GLN A 56 10.276 -0.203 15.360 1.00 42.02 C ATOM 805 O GLN A 56 9.992 -1.273 14.820 1.00 4.41 O ATOM 806 CB GLN A 56 8.422 0.950 16.580 1.00 1.24 C ATOM 807 CG GLN A 56 7.796 2.297 16.906 1.00 74.44 C ATOM 808 CD GLN A 56 6.823 2.223 18.066 1.00 71.40 C ATOM 809 OE1 GLN A 56 6.479 1.137 18.534 1.00 14.03 O ATOM 810 NE2 GLN A 56 6.374 3.380 18.537 1.00 10.12 N ATOM 0 H GLN A 56 8.298 -0.005 13.770 1.00 72.44 H new ATOM 0 HA GLN A 56 9.879 1.896 15.315 1.00 21.01 H new ATOM 0 HB2 GLN A 56 7.630 0.214 16.444 1.00 1.24 H new ATOM 0 HB3 GLN A 56 9.020 0.621 17.430 1.00 1.24 H new ATOM 0 HG2 GLN A 56 8.584 3.012 17.143 1.00 74.44 H new ATOM 0 HG3 GLN A 56 7.277 2.675 16.025 1.00 74.44 H new ATOM 0 HE21 GLN A 56 6.686 4.256 18.119 1.00 10.12 H new ATOM 0 HE22 GLN A 56 5.717 3.393 19.317 1.00 10.12 H new ATOM 819 N LYS A 57 11.426 0.004 15.994 1.00 74.35 N ATOM 820 CA LYS A 57 12.442 -1.037 16.095 1.00 33.12 C ATOM 821 C LYS A 57 13.007 -1.109 17.510 1.00 62.10 C ATOM 822 O LYS A 57 13.783 -0.247 17.922 1.00 35.12 O ATOM 823 CB LYS A 57 13.571 -0.775 15.096 1.00 71.41 C ATOM 824 CG LYS A 57 14.026 0.673 15.058 1.00 1.11 C ATOM 825 CD LYS A 57 15.192 0.867 14.103 1.00 71.51 C ATOM 826 CE LYS A 57 14.729 0.879 12.654 1.00 1.20 C ATOM 827 NZ LYS A 57 15.854 0.630 11.710 1.00 12.23 N ATOM 0 H LYS A 57 11.677 0.883 16.445 1.00 74.35 H new ATOM 0 HA LYS A 57 11.973 -1.993 15.861 1.00 33.12 H new ATOM 0 HB2 LYS A 57 14.422 -1.408 15.348 1.00 71.41 H new ATOM 0 HB3 LYS A 57 13.239 -1.069 14.100 1.00 71.41 H new ATOM 0 HG2 LYS A 57 13.195 1.308 14.752 1.00 1.11 H new ATOM 0 HG3 LYS A 57 14.318 0.990 16.059 1.00 1.11 H new ATOM 0 HD2 LYS A 57 15.699 1.804 14.332 1.00 71.51 H new ATOM 0 HD3 LYS A 57 15.919 0.068 14.247 1.00 71.51 H new ATOM 0 HE2 LYS A 57 13.961 0.119 12.512 1.00 1.20 H new ATOM 0 HE3 LYS A 57 14.271 1.842 12.427 1.00 1.20 H new ATOM 0 HZ1 LYS A 57 15.475 0.328 10.790 1.00 12.23 H new ATOM 0 HZ2 LYS A 57 16.405 1.504 11.588 1.00 12.23 H new ATOM 0 HZ3 LYS A 57 16.469 -0.116 12.092 1.00 12.23 H new ATOM 841 N GLU A 58 12.615 -2.143 18.248 1.00 73.15 N ATOM 842 CA GLU A 58 13.084 -2.326 19.616 1.00 61.51 C ATOM 843 C GLU A 58 14.577 -2.641 19.641 1.00 1.04 C ATOM 844 O GLU A 58 14.980 -3.799 19.532 1.00 2.50 O ATOM 845 CB GLU A 58 12.303 -3.450 20.300 1.00 22.32 C ATOM 846 CG GLU A 58 11.649 -3.030 21.606 1.00 43.23 C ATOM 847 CD GLU A 58 10.610 -4.025 22.085 1.00 44.00 C ATOM 848 OE1 GLU A 58 9.773 -4.450 21.262 1.00 61.34 O ATOM 849 OE2 GLU A 58 10.634 -4.378 23.282 1.00 23.24 O ATOM 0 H GLU A 58 11.974 -2.866 17.921 1.00 73.15 H new ATOM 0 HA GLU A 58 12.917 -1.395 20.158 1.00 61.51 H new ATOM 0 HB2 GLU A 58 11.534 -3.813 19.619 1.00 22.32 H new ATOM 0 HB3 GLU A 58 12.977 -4.284 20.493 1.00 22.32 H new ATOM 0 HG2 GLU A 58 12.416 -2.915 22.372 1.00 43.23 H new ATOM 0 HG3 GLU A 58 11.180 -2.055 21.476 1.00 43.23 H new ATOM 856 N ALA A 59 15.392 -1.601 19.786 1.00 24.51 N ATOM 857 CA ALA A 59 16.840 -1.766 19.827 1.00 1.04 C ATOM 858 C ALA A 59 17.350 -1.782 21.265 1.00 71.55 C ATOM 859 O ALA A 59 17.939 -0.811 21.736 1.00 43.24 O ATOM 860 CB ALA A 59 17.520 -0.658 19.037 1.00 50.01 C ATOM 0 H ALA A 59 15.074 -0.636 19.877 1.00 24.51 H new ATOM 0 HA ALA A 59 17.085 -2.725 19.371 1.00 1.04 H new ATOM 0 HB1 ALA A 59 18.601 -0.794 19.076 1.00 50.01 H new ATOM 0 HB2 ALA A 59 17.187 -0.694 18.000 1.00 50.01 H new ATOM 0 HB3 ALA A 59 17.260 0.309 19.468 1.00 50.01 H new ATOM 866 N GLY A 60 17.118 -2.893 21.957 1.00 20.54 N ATOM 867 CA GLY A 60 17.560 -3.015 23.334 1.00 12.24 C ATOM 868 C GLY A 60 17.746 -4.458 23.759 1.00 71.15 C ATOM 869 O GLY A 60 18.217 -5.287 22.979 1.00 5.12 O ATOM 0 H GLY A 60 16.632 -3.711 21.589 1.00 20.54 H new ATOM 0 HA2 GLY A 60 18.501 -2.479 23.459 1.00 12.24 H new ATOM 0 HA3 GLY A 60 16.832 -2.538 23.990 1.00 12.24 H new ATOM 873 N THR A 61 17.376 -4.761 24.999 1.00 24.21 N ATOM 874 CA THR A 61 17.508 -6.113 25.527 1.00 73.30 C ATOM 875 C THR A 61 16.865 -7.133 24.593 1.00 3.23 C ATOM 876 O THR A 61 17.532 -8.002 24.031 1.00 51.44 O ATOM 877 CB THR A 61 16.867 -6.236 26.922 1.00 33.42 C ATOM 878 OG1 THR A 61 16.189 -5.021 27.259 1.00 2.31 O ATOM 879 CG2 THR A 61 17.919 -6.545 27.976 1.00 24.10 C ATOM 0 H THR A 61 16.982 -4.088 25.657 1.00 24.21 H new ATOM 0 HA THR A 61 18.575 -6.319 25.606 1.00 73.30 H new ATOM 0 HB THR A 61 16.150 -7.056 26.896 1.00 33.42 H new ATOM 0 HG1 THR A 61 15.783 -5.108 28.147 1.00 2.31 H new ATOM 0 HG21 THR A 61 17.442 -6.627 28.953 1.00 24.10 H new ATOM 0 HG22 THR A 61 18.412 -7.486 27.733 1.00 24.10 H new ATOM 0 HG23 THR A 61 18.657 -5.744 27.999 1.00 24.10 H new ATOM 887 N PRO A 62 15.539 -7.027 24.422 1.00 2.44 N ATOM 888 CA PRO A 62 14.778 -7.931 23.556 1.00 52.04 C ATOM 889 C PRO A 62 15.085 -7.713 22.078 1.00 55.41 C ATOM 890 O PRO A 62 14.722 -6.695 21.488 1.00 54.13 O ATOM 891 CB PRO A 62 13.321 -7.570 23.858 1.00 24.15 C ATOM 892 CG PRO A 62 13.372 -6.160 24.336 1.00 50.11 C ATOM 893 CD PRO A 62 14.681 -6.015 25.062 1.00 70.13 C ATOM 0 HA PRO A 62 15.020 -8.977 23.746 1.00 52.04 H new ATOM 0 HB2 PRO A 62 12.697 -7.664 22.969 1.00 24.15 H new ATOM 0 HB3 PRO A 62 12.898 -8.230 24.616 1.00 24.15 H new ATOM 0 HG2 PRO A 62 13.310 -5.462 23.501 1.00 50.11 H new ATOM 0 HG3 PRO A 62 12.533 -5.942 24.997 1.00 50.11 H new ATOM 0 HD2 PRO A 62 15.093 -5.012 24.952 1.00 70.13 H new ATOM 0 HD3 PRO A 62 14.571 -6.199 26.131 1.00 70.13 H new ATOM 901 N PRO A 63 15.768 -8.689 21.464 1.00 65.50 N ATOM 902 CA PRO A 63 16.138 -8.627 20.047 1.00 40.02 C ATOM 903 C PRO A 63 14.930 -8.760 19.126 1.00 33.42 C ATOM 904 O PRO A 63 14.545 -9.867 18.746 1.00 32.14 O ATOM 905 CB PRO A 63 17.078 -9.823 19.872 1.00 12.52 C ATOM 906 CG PRO A 63 16.681 -10.776 20.946 1.00 62.11 C ATOM 907 CD PRO A 63 16.233 -9.931 22.106 1.00 43.41 C ATOM 0 HA PRO A 63 16.591 -7.670 19.786 1.00 40.02 H new ATOM 0 HB2 PRO A 63 16.969 -10.271 18.884 1.00 12.52 H new ATOM 0 HB3 PRO A 63 18.122 -9.525 19.973 1.00 12.52 H new ATOM 0 HG2 PRO A 63 15.879 -11.432 20.608 1.00 62.11 H new ATOM 0 HG3 PRO A 63 17.517 -11.415 21.229 1.00 62.11 H new ATOM 0 HD2 PRO A 63 15.436 -10.414 22.671 1.00 43.41 H new ATOM 0 HD3 PRO A 63 17.049 -9.742 22.804 1.00 43.41 H new ATOM 915 N LEU A 64 14.335 -7.627 18.770 1.00 22.12 N ATOM 916 CA LEU A 64 13.170 -7.617 17.893 1.00 72.32 C ATOM 917 C LEU A 64 12.737 -6.189 17.578 1.00 11.13 C ATOM 918 O LEU A 64 13.199 -5.237 18.208 1.00 72.21 O ATOM 919 CB LEU A 64 12.014 -8.382 18.539 1.00 35.14 C ATOM 920 CG LEU A 64 11.143 -7.586 19.512 1.00 21.04 C ATOM 921 CD1 LEU A 64 10.060 -8.472 20.107 1.00 32.32 C ATOM 922 CD2 LEU A 64 11.997 -6.973 20.613 1.00 40.13 C ATOM 0 H LEU A 64 14.640 -6.703 19.075 1.00 22.12 H new ATOM 0 HA LEU A 64 13.445 -8.107 16.959 1.00 72.32 H new ATOM 0 HB2 LEU A 64 11.375 -8.772 17.747 1.00 35.14 H new ATOM 0 HB3 LEU A 64 12.425 -9.241 19.070 1.00 35.14 H new ATOM 0 HG LEU A 64 10.661 -6.779 18.961 1.00 21.04 H new ATOM 0 HD11 LEU A 64 9.450 -7.888 20.797 1.00 32.32 H new ATOM 0 HD12 LEU A 64 9.430 -8.863 19.308 1.00 32.32 H new ATOM 0 HD13 LEU A 64 10.522 -9.301 20.643 1.00 32.32 H new ATOM 0 HD21 LEU A 64 11.361 -6.410 21.296 1.00 40.13 H new ATOM 0 HD22 LEU A 64 12.507 -7.765 21.161 1.00 40.13 H new ATOM 0 HD23 LEU A 64 12.735 -6.304 20.171 1.00 40.13 H new ATOM 934 N TRP A 65 11.847 -6.047 16.603 1.00 72.41 N ATOM 935 CA TRP A 65 11.350 -4.735 16.207 1.00 53.34 C ATOM 936 C TRP A 65 10.093 -4.370 16.989 1.00 52.23 C ATOM 937 O TRP A 65 9.723 -5.054 17.943 1.00 12.54 O ATOM 938 CB TRP A 65 11.057 -4.709 14.706 1.00 73.44 C ATOM 939 CG TRP A 65 12.021 -5.525 13.898 1.00 0.24 C ATOM 940 CD1 TRP A 65 11.780 -6.734 13.310 1.00 3.33 C ATOM 941 CD2 TRP A 65 13.379 -5.191 13.593 1.00 43.14 C ATOM 942 NE1 TRP A 65 12.907 -7.171 12.657 1.00 22.42 N ATOM 943 CE2 TRP A 65 13.902 -6.243 12.815 1.00 53.35 C ATOM 944 CE3 TRP A 65 14.204 -4.105 13.898 1.00 23.32 C ATOM 945 CZ2 TRP A 65 15.211 -6.239 12.341 1.00 0.50 C ATOM 946 CZ3 TRP A 65 15.504 -4.103 13.428 1.00 54.12 C ATOM 947 CH2 TRP A 65 15.997 -5.163 12.656 1.00 74.14 C ATOM 0 H TRP A 65 11.455 -6.824 16.072 1.00 72.41 H new ATOM 0 HA TRP A 65 12.122 -3.999 16.432 1.00 53.34 H new ATOM 0 HB2 TRP A 65 10.046 -5.079 14.534 1.00 73.44 H new ATOM 0 HB3 TRP A 65 11.083 -3.677 14.356 1.00 73.44 H new ATOM 0 HD1 TRP A 65 10.842 -7.268 13.352 1.00 3.33 H new ATOM 0 HE1 TRP A 65 12.989 -8.045 12.138 1.00 22.42 H new ATOM 0 HE3 TRP A 65 13.832 -3.282 14.490 1.00 23.32 H new ATOM 0 HZ2 TRP A 65 15.593 -7.055 11.746 1.00 0.50 H new ATOM 0 HZ3 TRP A 65 16.151 -3.270 13.660 1.00 54.12 H new ATOM 0 HH2 TRP A 65 17.017 -5.131 12.302 1.00 74.14 H new ATOM 958 N LYS A 66 9.439 -3.288 16.578 1.00 30.24 N ATOM 959 CA LYS A 66 8.222 -2.833 17.239 1.00 11.35 C ATOM 960 C LYS A 66 7.223 -2.287 16.224 1.00 32.11 C ATOM 961 O LYS A 66 7.560 -2.078 15.058 1.00 21.14 O ATOM 962 CB LYS A 66 8.552 -1.756 18.275 1.00 1.43 C ATOM 963 CG LYS A 66 8.646 -2.286 19.695 1.00 11.05 C ATOM 964 CD LYS A 66 8.163 -1.260 20.707 1.00 44.20 C ATOM 965 CE LYS A 66 6.685 -1.436 21.017 1.00 11.15 C ATOM 966 NZ LYS A 66 6.403 -2.756 21.646 1.00 25.21 N ATOM 0 H LYS A 66 9.732 -2.710 15.790 1.00 30.24 H new ATOM 0 HA LYS A 66 7.771 -3.688 17.743 1.00 11.35 H new ATOM 0 HB2 LYS A 66 9.498 -1.285 18.009 1.00 1.43 H new ATOM 0 HB3 LYS A 66 7.788 -0.980 18.236 1.00 1.43 H new ATOM 0 HG2 LYS A 66 8.051 -3.195 19.785 1.00 11.05 H new ATOM 0 HG3 LYS A 66 9.678 -2.557 19.915 1.00 11.05 H new ATOM 0 HD2 LYS A 66 8.742 -1.353 21.626 1.00 44.20 H new ATOM 0 HD3 LYS A 66 8.338 -0.256 20.320 1.00 44.20 H new ATOM 0 HE2 LYS A 66 6.356 -0.639 21.684 1.00 11.15 H new ATOM 0 HE3 LYS A 66 6.107 -1.341 20.098 1.00 11.15 H new ATOM 0 HZ1 LYS A 66 5.572 -2.675 22.266 1.00 25.21 H new ATOM 0 HZ2 LYS A 66 6.215 -3.461 20.905 1.00 25.21 H new ATOM 0 HZ3 LYS A 66 7.225 -3.056 22.208 1.00 25.21 H new ATOM 980 N ILE A 67 5.994 -2.058 16.675 1.00 40.45 N ATOM 981 CA ILE A 67 4.948 -1.534 15.805 1.00 12.23 C ATOM 982 C ILE A 67 4.458 -0.174 16.292 1.00 21.21 C ATOM 983 O ILE A 67 4.353 0.065 17.495 1.00 61.14 O ATOM 984 CB ILE A 67 3.750 -2.498 15.722 1.00 60.43 C ATOM 985 CG1 ILE A 67 3.126 -2.692 17.105 1.00 31.31 C ATOM 986 CG2 ILE A 67 4.186 -3.835 15.139 1.00 12.32 C ATOM 987 CD1 ILE A 67 1.877 -3.545 17.090 1.00 34.12 C ATOM 0 H ILE A 67 5.698 -2.227 17.637 1.00 40.45 H new ATOM 0 HA ILE A 67 5.387 -1.426 14.813 1.00 12.23 H new ATOM 0 HB ILE A 67 2.998 -2.064 15.063 1.00 60.43 H new ATOM 0 HG12 ILE A 67 3.862 -3.151 17.765 1.00 31.31 H new ATOM 0 HG13 ILE A 67 2.885 -1.716 17.526 1.00 31.31 H new ATOM 0 HG21 ILE A 67 3.329 -4.506 15.087 1.00 12.32 H new ATOM 0 HG22 ILE A 67 4.588 -3.681 14.138 1.00 12.32 H new ATOM 0 HG23 ILE A 67 4.954 -4.276 15.775 1.00 12.32 H new ATOM 0 HD11 ILE A 67 1.489 -3.640 18.104 1.00 34.12 H new ATOM 0 HD12 ILE A 67 1.124 -3.077 16.456 1.00 34.12 H new ATOM 0 HD13 ILE A 67 2.116 -4.534 16.699 1.00 34.12 H new ATOM 999 N ALA A 68 4.158 0.713 15.349 1.00 21.10 N ATOM 1000 CA ALA A 68 3.676 2.047 15.681 1.00 15.55 C ATOM 1001 C ALA A 68 2.438 2.403 14.865 1.00 72.13 C ATOM 1002 O ALA A 68 1.543 3.099 15.347 1.00 61.23 O ATOM 1003 CB ALA A 68 4.773 3.077 15.456 1.00 72.05 C ATOM 0 H ALA A 68 4.241 0.531 14.349 1.00 21.10 H new ATOM 0 HA ALA A 68 3.398 2.053 16.735 1.00 15.55 H new ATOM 0 HB1 ALA A 68 4.398 4.069 15.708 1.00 72.05 H new ATOM 0 HB2 ALA A 68 5.629 2.841 16.088 1.00 72.05 H new ATOM 0 HB3 ALA A 68 5.079 3.060 14.410 1.00 72.05 H new TER 1009 ALA A 68